----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:42:48]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.571104245298801 0.000000000000000 0.000000000000000 b 0.000000000000000 7.403740630000001 0.000000000000000 c -0.777274771122105 0.000000000000000 7.055165830387870 Atomic positions (fractional): *1 Cu 0.06120517066322 0.16312683032612 0.54582034071589 63.546 2 Cu 0.93879482933678 0.83687316967388 0.45417965928411 63.546 3 Cu 0.06120517066322 0.33687316967388 0.04582034071589 63.546 4 Cu 0.93879482933678 0.66312683032612 0.95417965928411 63.546 *5 Se 0.41441954130549 0.27851408805924 0.00127649084199 78.960 6 Se 0.41441954130549 0.22148591194076 0.50127649084199 78.960 7 Se 0.58558045869451 0.77851408805925 0.49872350915801 78.960 8 Se 0.58558045869451 0.72148591194075 0.99872350915801 78.960 *9 Se 0.89533003324223 0.39284968119253 0.72206985370916 78.960 10 Se 0.10466996675777 0.89284968119254 0.77793014629084 78.960 11 Se 0.10466996675777 0.60715031880746 0.27793014629084 78.960 12 Se 0.89533003324223 0.10715031880747 0.22206985370916 78.960 *13 Nd 0.69200898212472 0.45405205217203 0.30066600750826 144.242 14 Nd 0.30799101787528 0.95405205217203 0.19933399249174 144.242 15 Nd 0.30799101787528 0.54594794782797 0.69933399249174 144.242 16 Nd 0.69200898212472 0.04594794782797 0.80066600750826 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.571104245298801 0.000000000000000 0.000000000000000 b 0.000000000000000 7.403740630000001 0.000000000000000 c -0.777274771122105 0.000000000000000 7.055165830387870 Atomic positions (fractional): *1 Cu 0.06120517066322 0.16312683032612 0.54582034071589 63.546 > 1 2 Cu 0.93879482933678 0.83687316967388 0.45417965928411 63.546 > 2 3 Cu 0.06120517066322 0.33687316967388 0.04582034071589 63.546 > 3 4 Cu 0.93879482933678 0.66312683032612 0.95417965928411 63.546 > 4 *5 Se 0.41441954130549 0.27851408805924 0.00127649084199 78.960 > 5 6 Se 0.41441954130549 0.22148591194076 0.50127649084199 78.960 > 6 7 Se 0.58558045869451 0.77851408805925 0.49872350915801 78.960 > 7 8 Se 0.58558045869451 0.72148591194075 0.99872350915801 78.960 > 8 *9 Se 0.89533003324223 0.39284968119253 0.72206985370916 78.960 > 9 10 Se 0.10466996675777 0.89284968119254 0.77793014629084 78.960 > 10 11 Se 0.10466996675777 0.60715031880746 0.27793014629084 78.960 > 11 12 Se 0.89533003324223 0.10715031880747 0.22206985370916 78.960 > 12 *13 Nd 0.69200898212472 0.45405205217203 0.30066600750826 144.242 > 13 14 Nd 0.30799101787528 0.95405205217203 0.19933399249174 144.242 > 14 15 Nd 0.30799101787528 0.54594794782797 0.69933399249174 144.242 > 15 16 Nd 0.69200898212472 0.04594794782797 0.80066600750826 144.242 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.142208490597602 0.000000000000000 0.000000000000000 b 0.000000000000000 14.807481260000001 0.000000000000000 c -1.554549542244210 0.000000000000000 14.110331660775740 Atomic positions (fractional): *1 Cu 0.03060258533161 0.08156341516306 0.27291017035795 63.546 > 1 2 Cu 0.53060258533161 0.08156341516306 0.27291017035795 63.546 > 1 3 Cu 0.03060258533161 0.58156341516306 0.27291017035795 63.546 > 1 4 Cu 0.53060258533161 0.58156341516306 0.27291017035795 63.546 > 1 5 Cu 0.03060258533161 0.08156341516306 0.77291017035795 63.546 > 1 6 Cu 0.53060258533161 0.08156341516306 0.77291017035795 63.546 > 1 7 Cu 0.03060258533161 0.58156341516306 0.77291017035795 63.546 > 1 8 Cu 0.53060258533161 0.58156341516306 0.77291017035795 63.546 > 1 9 Cu 0.46939741466839 0.41843658483694 0.22708982964205 63.546 > 2 10 Cu 0.96939741466839 0.41843658483694 0.22708982964205 63.546 > 2 11 Cu 0.46939741466839 0.91843658483694 0.22708982964205 63.546 > 2 12 Cu 0.96939741466839 0.91843658483694 0.22708982964205 63.546 > 2 13 Cu 0.46939741466839 0.41843658483694 0.72708982964205 63.546 > 2 14 Cu 0.96939741466839 0.41843658483694 0.72708982964205 63.546 > 2 15 Cu 0.46939741466839 0.91843658483694 0.72708982964205 63.546 > 2 16 Cu 0.96939741466839 0.91843658483694 0.72708982964205 63.546 > 2 17 Cu 0.03060258533161 0.16843658483694 0.02291017035795 63.546 > 3 18 Cu 0.53060258533161 0.16843658483694 0.02291017035795 63.546 > 3 19 Cu 0.03060258533161 0.66843658483694 0.02291017035795 63.546 > 3 20 Cu 0.53060258533161 0.66843658483694 0.02291017035795 63.546 > 3 21 Cu 0.03060258533161 0.16843658483694 0.52291017035795 63.546 > 3 22 Cu 0.53060258533161 0.16843658483694 0.52291017035795 63.546 > 3 23 Cu 0.03060258533161 0.66843658483694 0.52291017035795 63.546 > 3 24 Cu 0.53060258533161 0.66843658483694 0.52291017035795 63.546 > 3 25 Cu 0.46939741466839 0.33156341516306 0.47708982964205 63.546 > 4 26 Cu 0.96939741466839 0.33156341516306 0.47708982964205 63.546 > 4 27 Cu 0.46939741466839 0.83156341516306 0.47708982964205 63.546 > 4 28 Cu 0.96939741466839 0.83156341516306 0.47708982964205 63.546 > 4 29 Cu 0.46939741466839 0.33156341516306 0.97708982964205 63.546 > 4 30 Cu 0.96939741466839 0.33156341516306 0.97708982964205 63.546 > 4 31 Cu 0.46939741466839 0.83156341516306 0.97708982964205 63.546 > 4 32 Cu 0.96939741466839 0.83156341516306 0.97708982964205 63.546 > 4 *33 Se 0.20720977065275 0.13925704402962 0.00063824542100 78.960 > 5 34 Se 0.70720977065275 0.13925704402962 0.00063824542100 78.960 > 5 35 Se 0.20720977065275 0.63925704402962 0.00063824542100 78.960 > 5 36 Se 0.70720977065275 0.63925704402962 0.00063824542100 78.960 > 5 37 Se 0.20720977065275 0.13925704402962 0.50063824542100 78.960 > 5 38 Se 0.70720977065275 0.13925704402962 0.50063824542100 78.960 > 5 39 Se 0.20720977065275 0.63925704402962 0.50063824542100 78.960 > 5 40 Se 0.70720977065275 0.63925704402962 0.50063824542100 78.960 > 5 41 Se 0.20720977065275 0.11074295597038 0.25063824542100 78.960 > 6 42 Se 0.70720977065275 0.11074295597038 0.25063824542100 78.960 > 6 43 Se 0.20720977065275 0.61074295597038 0.25063824542100 78.960 > 6 44 Se 0.70720977065275 0.61074295597038 0.25063824542100 78.960 > 6 45 Se 0.20720977065275 0.11074295597038 0.75063824542100 78.960 > 6 46 Se 0.70720977065275 0.11074295597038 0.75063824542100 78.960 > 6 47 Se 0.20720977065275 0.61074295597038 0.75063824542100 78.960 > 6 48 Se 0.70720977065275 0.61074295597038 0.75063824542100 78.960 > 6 49 Se 0.29279022934725 0.38925704402962 0.24936175457900 78.960 > 7 50 Se 0.79279022934725 0.38925704402962 0.24936175457900 78.960 > 7 51 Se 0.29279022934725 0.88925704402962 0.24936175457900 78.960 > 7 52 Se 0.79279022934725 0.88925704402962 0.24936175457900 78.960 > 7 53 Se 0.29279022934725 0.38925704402962 0.74936175457900 78.960 > 7 54 Se 0.79279022934725 0.38925704402962 0.74936175457900 78.960 > 7 55 Se 0.29279022934725 0.88925704402962 0.74936175457900 78.960 > 7 56 Se 0.79279022934725 0.88925704402962 0.74936175457900 78.960 > 7 57 Se 0.29279022934725 0.36074295597038 0.49936175457900 78.960 > 8 58 Se 0.79279022934725 0.36074295597038 0.49936175457900 78.960 > 8 59 Se 0.29279022934725 0.86074295597038 0.49936175457900 78.960 > 8 60 Se 0.79279022934725 0.86074295597038 0.49936175457900 78.960 > 8 61 Se 0.29279022934725 0.36074295597038 0.99936175457900 78.960 > 8 62 Se 0.79279022934725 0.36074295597038 0.99936175457900 78.960 > 8 63 Se 0.29279022934725 0.86074295597038 0.99936175457900 78.960 > 8 64 Se 0.79279022934725 0.86074295597038 0.99936175457900 78.960 > 8 *65 Se 0.44766501662112 0.19642484059627 0.36103492685458 78.960 > 9 66 Se 0.94766501662112 0.19642484059627 0.36103492685458 78.960 > 9 67 Se 0.44766501662112 0.69642484059627 0.36103492685458 78.960 > 9 68 Se 0.94766501662112 0.69642484059627 0.36103492685458 78.960 > 9 69 Se 0.44766501662112 0.19642484059627 0.86103492685458 78.960 > 9 70 Se 0.94766501662112 0.19642484059627 0.86103492685458 78.960 > 9 71 Se 0.44766501662112 0.69642484059627 0.86103492685458 78.960 > 9 72 Se 0.94766501662112 0.69642484059627 0.86103492685458 78.960 > 9 73 Se 0.05233498337889 0.44642484059627 0.38896507314542 78.960 > 10 74 Se 0.55233498337888 0.44642484059627 0.38896507314542 78.960 > 10 75 Se 0.05233498337889 0.94642484059627 0.38896507314542 78.960 > 10 76 Se 0.55233498337888 0.94642484059627 0.38896507314542 78.960 > 10 77 Se 0.05233498337889 0.44642484059627 0.88896507314542 78.960 > 10 78 Se 0.55233498337888 0.44642484059627 0.88896507314542 78.960 > 10 79 Se 0.05233498337889 0.94642484059627 0.88896507314542 78.960 > 10 80 Se 0.55233498337888 0.94642484059627 0.88896507314542 78.960 > 10 81 Se 0.05233498337889 0.30357515940373 0.13896507314542 78.960 > 11 82 Se 0.55233498337888 0.30357515940373 0.13896507314542 78.960 > 11 83 Se 0.05233498337889 0.80357515940373 0.13896507314542 78.960 > 11 84 Se 0.55233498337888 0.80357515940373 0.13896507314542 78.960 > 11 85 Se 0.05233498337889 0.30357515940373 0.63896507314542 78.960 > 11 86 Se 0.55233498337888 0.30357515940373 0.63896507314542 78.960 > 11 87 Se 0.05233498337889 0.80357515940373 0.63896507314542 78.960 > 11 88 Se 0.55233498337888 0.80357515940373 0.63896507314542 78.960 > 11 89 Se 0.44766501662112 0.05357515940373 0.11103492685458 78.960 > 12 90 Se 0.94766501662112 0.05357515940373 0.11103492685458 78.960 > 12 91 Se 0.44766501662112 0.55357515940373 0.11103492685458 78.960 > 12 92 Se 0.94766501662112 0.55357515940373 0.11103492685458 78.960 > 12 93 Se 0.44766501662112 0.05357515940373 0.61103492685458 78.960 > 12 94 Se 0.94766501662112 0.05357515940373 0.61103492685458 78.960 > 12 95 Se 0.44766501662112 0.55357515940373 0.61103492685458 78.960 > 12 96 Se 0.94766501662112 0.55357515940373 0.61103492685458 78.960 > 12 *97 Nd 0.34600449106236 0.22702602608601 0.15033300375413 144.242 > 13 98 Nd 0.84600449106236 0.22702602608601 0.15033300375413 144.242 > 13 99 Nd 0.34600449106236 0.72702602608601 0.15033300375413 144.242 > 13 100 Nd 0.84600449106236 0.72702602608601 0.15033300375413 144.242 > 13 101 Nd 0.34600449106236 0.22702602608601 0.65033300375413 144.242 > 13 102 Nd 0.84600449106236 0.22702602608601 0.65033300375413 144.242 > 13 103 Nd 0.34600449106236 0.72702602608601 0.65033300375413 144.242 > 13 104 Nd 0.84600449106236 0.72702602608601 0.65033300375413 144.242 > 13 105 Nd 0.15399550893764 0.47702602608601 0.09966699624587 144.242 > 14 106 Nd 0.65399550893764 0.47702602608601 0.09966699624587 144.242 > 14 107 Nd 0.15399550893764 0.97702602608601 0.09966699624587 144.242 > 14 108 Nd 0.65399550893764 0.97702602608601 0.09966699624587 144.242 > 14 109 Nd 0.15399550893764 0.47702602608601 0.59966699624587 144.242 > 14 110 Nd 0.65399550893764 0.47702602608601 0.59966699624587 144.242 > 14 111 Nd 0.15399550893764 0.97702602608601 0.59966699624587 144.242 > 14 112 Nd 0.65399550893764 0.97702602608601 0.59966699624587 144.242 > 14 113 Nd 0.15399550893764 0.27297397391399 0.34966699624587 144.242 > 15 114 Nd 0.65399550893764 0.27297397391399 0.34966699624587 144.242 > 15 115 Nd 0.15399550893764 0.77297397391399 0.34966699624587 144.242 > 15 116 Nd 0.65399550893764 0.77297397391399 0.34966699624587 144.242 > 15 117 Nd 0.15399550893764 0.27297397391399 0.84966699624587 144.242 > 15 118 Nd 0.65399550893764 0.27297397391399 0.84966699624587 144.242 > 15 119 Nd 0.15399550893764 0.77297397391399 0.84966699624587 144.242 > 15 120 Nd 0.65399550893764 0.77297397391399 0.84966699624587 144.242 > 15 121 Nd 0.34600449106236 0.02297397391399 0.40033300375413 144.242 > 16 122 Nd 0.84600449106236 0.02297397391399 0.40033300375413 144.242 > 16 123 Nd 0.34600449106236 0.52297397391399 0.40033300375413 144.242 > 16 124 Nd 0.84600449106236 0.52297397391399 0.40033300375413 144.242 > 16 125 Nd 0.34600449106236 0.02297397391399 0.90033300375413 144.242 > 16 126 Nd 0.84600449106236 0.02297397391399 0.90033300375413 144.242 > 16 127 Nd 0.34600449106236 0.52297397391399 0.90033300375413 144.242 > 16 128 Nd 0.84600449106236 0.52297397391399 0.90033300375413 144.242 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.1670069 0.0000000 1.8271473 0.0000000 15.1629006 0.0000000 1.8271651 0.0000000 15.4449316 -------------------------- Born effective charges -------------------------- 1 Cu 0.5542854 -0.0840396 0.1756697 -0.1034116 0.9079121 -0.1966396 0.0595776 -0.1744362 1.1846799 2 Cu 0.5542854 -0.0840396 0.1756697 -0.1034116 0.9079121 -0.1966396 0.0595776 -0.1744362 1.1846799 3 Cu 0.5542854 0.0840396 0.1756697 0.1034116 0.9079121 0.1966396 0.0595776 0.1744362 1.1846799 4 Cu 0.5542854 0.0840396 0.1756697 0.1034116 0.9079121 0.1966396 0.0595776 0.1744362 1.1846799 5 Se -2.5072411 0.1371665 0.2934123 0.1469122 -3.1700269 0.2514951 -0.1296429 0.3416640 -2.1870782 6 Se -2.5072411 -0.1371665 0.2934123 -0.1469122 -3.1700269 -0.2514951 -0.1296429 -0.3416640 -2.1870782 7 Se -2.5072411 -0.1371665 0.2934123 -0.1469122 -3.1700269 -0.2514951 -0.1296429 -0.3416640 -2.1870782 8 Se -2.5072411 0.1371665 0.2934123 0.1469122 -3.1700269 0.2514951 -0.1296429 0.3416640 -2.1870782 9 Se -2.2107981 -0.4655852 -0.4944600 -0.5059687 -2.7383415 0.0701191 -0.0641512 0.1792153 -3.0565552 10 Se -2.2107981 0.4655852 -0.4944600 0.5059687 -2.7383415 -0.0701191 -0.0641512 -0.1792153 -3.0565552 11 Se -2.2107981 -0.4655852 -0.4944600 -0.5059687 -2.7383415 0.0701191 -0.0641512 0.1792153 -3.0565552 12 Se -2.2107981 0.4655852 -0.4944600 0.5059687 -2.7383415 -0.0701191 -0.0641512 -0.1792153 -3.0565552 13 Nd 4.1637537 0.1097665 0.0253780 0.1883125 5.0004564 -0.0854430 0.1342165 -0.3243493 4.0589535 14 Nd 4.1637537 -0.1097665 0.0253780 -0.1883125 5.0004564 0.0854430 0.1342165 0.3243493 4.0589535 15 Nd 4.1637537 0.1097665 0.0253780 0.1883125 5.0004564 -0.0854430 0.1342165 -0.3243493 4.0589535 16 Nd 4.1637537 -0.1097665 0.0253780 -0.1883125 5.0004564 0.0854430 0.1342165 0.3243493 4.0589535 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.771 Solver_block: 200 / 480 - Time: 0.721 Solver_block: 300 / 480 - Time: 0.714 Solver_block: 400 / 480 - Time: 0.718 Solver_block: 480 / 480 - Time: 0.605 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.612 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:43:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:43:11]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.571104245298801 0.000000000000000 0.000000000000000 b 0.000000000000000 7.403740630000001 0.000000000000000 c -0.777274771122105 0.000000000000000 7.055165830387870 Atomic positions (fractional): 1 Cu 0.06120517066322 0.16312683032612 0.54582034071589 63.546 2 Cu 0.93879482933678 0.83687316967388 0.45417965928411 63.546 3 Cu 0.06120517066322 0.33687316967388 0.04582034071589 63.546 4 Cu 0.93879482933678 0.66312683032612 0.95417965928411 63.546 5 Se 0.41441954130549 0.27851408805924 0.00127649084199 78.960 6 Se 0.41441954130549 0.22148591194076 0.50127649084199 78.960 7 Se 0.58558045869451 0.77851408805925 0.49872350915801 78.960 8 Se 0.58558045869451 0.72148591194075 0.99872350915801 78.960 9 Se 0.89533003324223 0.39284968119253 0.72206985370916 78.960 10 Se 0.10466996675777 0.89284968119254 0.77793014629084 78.960 11 Se 0.10466996675777 0.60715031880746 0.27793014629084 78.960 12 Se 0.89533003324223 0.10715031880747 0.22206985370916 78.960 13 Nd 0.69200898212472 0.45405205217203 0.30066600750826 144.242 14 Nd 0.30799101787528 0.95405205217203 0.19933399249174 144.242 15 Nd 0.30799101787528 0.54594794782797 0.69933399249174 144.242 16 Nd 0.69200898212472 0.04594794782797 0.80066600750826 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.142208490597602 0.000000000000000 0.000000000000000 b 0.000000000000000 14.807481260000001 0.000000000000000 c -1.554549542244210 0.000000000000000 14.110331660775740 Atomic positions (fractional): 1 Cu 0.03060258533161 0.08156341516306 0.27291017035795 63.546 > 1 2 Cu 0.53060258533161 0.08156341516306 0.27291017035795 63.546 > 1 3 Cu 0.03060258533161 0.58156341516306 0.27291017035795 63.546 > 1 4 Cu 0.53060258533161 0.58156341516306 0.27291017035795 63.546 > 1 5 Cu 0.03060258533161 0.08156341516306 0.77291017035795 63.546 > 1 6 Cu 0.53060258533161 0.08156341516306 0.77291017035795 63.546 > 1 7 Cu 0.03060258533161 0.58156341516306 0.77291017035795 63.546 > 1 8 Cu 0.53060258533161 0.58156341516306 0.77291017035795 63.546 > 1 9 Cu 0.46939741466839 0.41843658483694 0.22708982964205 63.546 > 9 10 Cu 0.96939741466839 0.41843658483694 0.22708982964205 63.546 > 9 11 Cu 0.46939741466839 0.91843658483694 0.22708982964205 63.546 > 9 12 Cu 0.96939741466839 0.91843658483694 0.22708982964205 63.546 > 9 13 Cu 0.46939741466839 0.41843658483694 0.72708982964205 63.546 > 9 14 Cu 0.96939741466839 0.41843658483694 0.72708982964205 63.546 > 9 15 Cu 0.46939741466839 0.91843658483694 0.72708982964205 63.546 > 9 16 Cu 0.96939741466839 0.91843658483694 0.72708982964205 63.546 > 9 17 Cu 0.03060258533161 0.16843658483694 0.02291017035795 63.546 > 17 18 Cu 0.53060258533161 0.16843658483694 0.02291017035795 63.546 > 17 19 Cu 0.03060258533161 0.66843658483694 0.02291017035795 63.546 > 17 20 Cu 0.53060258533161 0.66843658483694 0.02291017035795 63.546 > 17 21 Cu 0.03060258533161 0.16843658483694 0.52291017035795 63.546 > 17 22 Cu 0.53060258533161 0.16843658483694 0.52291017035795 63.546 > 17 23 Cu 0.03060258533161 0.66843658483694 0.52291017035795 63.546 > 17 24 Cu 0.53060258533161 0.66843658483694 0.52291017035795 63.546 > 17 25 Cu 0.46939741466839 0.33156341516306 0.47708982964205 63.546 > 25 26 Cu 0.96939741466839 0.33156341516306 0.47708982964205 63.546 > 25 27 Cu 0.46939741466839 0.83156341516306 0.47708982964205 63.546 > 25 28 Cu 0.96939741466839 0.83156341516306 0.47708982964205 63.546 > 25 29 Cu 0.46939741466839 0.33156341516306 0.97708982964205 63.546 > 25 30 Cu 0.96939741466839 0.33156341516306 0.97708982964205 63.546 > 25 31 Cu 0.46939741466839 0.83156341516306 0.97708982964205 63.546 > 25 32 Cu 0.96939741466839 0.83156341516306 0.97708982964205 63.546 > 25 33 Se 0.20720977065275 0.13925704402962 0.00063824542100 78.960 > 33 34 Se 0.70720977065275 0.13925704402962 0.00063824542100 78.960 > 33 35 Se 0.20720977065275 0.63925704402962 0.00063824542100 78.960 > 33 36 Se 0.70720977065275 0.63925704402962 0.00063824542100 78.960 > 33 37 Se 0.20720977065275 0.13925704402962 0.50063824542100 78.960 > 33 38 Se 0.70720977065275 0.13925704402962 0.50063824542100 78.960 > 33 39 Se 0.20720977065275 0.63925704402962 0.50063824542100 78.960 > 33 40 Se 0.70720977065275 0.63925704402962 0.50063824542100 78.960 > 33 41 Se 0.20720977065275 0.11074295597038 0.25063824542100 78.960 > 41 42 Se 0.70720977065275 0.11074295597038 0.25063824542100 78.960 > 41 43 Se 0.20720977065275 0.61074295597038 0.25063824542100 78.960 > 41 44 Se 0.70720977065275 0.61074295597038 0.25063824542100 78.960 > 41 45 Se 0.20720977065275 0.11074295597038 0.75063824542100 78.960 > 41 46 Se 0.70720977065275 0.11074295597038 0.75063824542100 78.960 > 41 47 Se 0.20720977065275 0.61074295597038 0.75063824542100 78.960 > 41 48 Se 0.70720977065275 0.61074295597038 0.75063824542100 78.960 > 41 49 Se 0.29279022934725 0.38925704402962 0.24936175457900 78.960 > 49 50 Se 0.79279022934725 0.38925704402962 0.24936175457900 78.960 > 49 51 Se 0.29279022934725 0.88925704402962 0.24936175457900 78.960 > 49 52 Se 0.79279022934725 0.88925704402962 0.24936175457900 78.960 > 49 53 Se 0.29279022934725 0.38925704402962 0.74936175457900 78.960 > 49 54 Se 0.79279022934725 0.38925704402962 0.74936175457900 78.960 > 49 55 Se 0.29279022934725 0.88925704402962 0.74936175457900 78.960 > 49 56 Se 0.79279022934725 0.88925704402962 0.74936175457900 78.960 > 49 57 Se 0.29279022934725 0.36074295597038 0.49936175457900 78.960 > 57 58 Se 0.79279022934725 0.36074295597038 0.49936175457900 78.960 > 57 59 Se 0.29279022934725 0.86074295597038 0.49936175457900 78.960 > 57 60 Se 0.79279022934725 0.86074295597038 0.49936175457900 78.960 > 57 61 Se 0.29279022934725 0.36074295597038 0.99936175457900 78.960 > 57 62 Se 0.79279022934725 0.36074295597038 0.99936175457900 78.960 > 57 63 Se 0.29279022934725 0.86074295597038 0.99936175457900 78.960 > 57 64 Se 0.79279022934725 0.86074295597038 0.99936175457900 78.960 > 57 65 Se 0.44766501662112 0.19642484059627 0.36103492685458 78.960 > 65 66 Se 0.94766501662112 0.19642484059627 0.36103492685458 78.960 > 65 67 Se 0.44766501662112 0.69642484059627 0.36103492685458 78.960 > 65 68 Se 0.94766501662112 0.69642484059627 0.36103492685458 78.960 > 65 69 Se 0.44766501662112 0.19642484059627 0.86103492685458 78.960 > 65 70 Se 0.94766501662112 0.19642484059627 0.86103492685458 78.960 > 65 71 Se 0.44766501662112 0.69642484059627 0.86103492685458 78.960 > 65 72 Se 0.94766501662112 0.69642484059627 0.86103492685458 78.960 > 65 73 Se 0.05233498337889 0.44642484059627 0.38896507314542 78.960 > 73 74 Se 0.55233498337888 0.44642484059627 0.38896507314542 78.960 > 73 75 Se 0.05233498337889 0.94642484059627 0.38896507314542 78.960 > 73 76 Se 0.55233498337888 0.94642484059627 0.38896507314542 78.960 > 73 77 Se 0.05233498337889 0.44642484059627 0.88896507314542 78.960 > 73 78 Se 0.55233498337888 0.44642484059627 0.88896507314542 78.960 > 73 79 Se 0.05233498337889 0.94642484059627 0.88896507314542 78.960 > 73 80 Se 0.55233498337888 0.94642484059627 0.88896507314542 78.960 > 73 81 Se 0.05233498337889 0.30357515940373 0.13896507314542 78.960 > 81 82 Se 0.55233498337888 0.30357515940373 0.13896507314542 78.960 > 81 83 Se 0.05233498337889 0.80357515940373 0.13896507314542 78.960 > 81 84 Se 0.55233498337888 0.80357515940373 0.13896507314542 78.960 > 81 85 Se 0.05233498337889 0.30357515940373 0.63896507314542 78.960 > 81 86 Se 0.55233498337888 0.30357515940373 0.63896507314542 78.960 > 81 87 Se 0.05233498337889 0.80357515940373 0.63896507314542 78.960 > 81 88 Se 0.55233498337888 0.80357515940373 0.63896507314542 78.960 > 81 89 Se 0.44766501662112 0.05357515940373 0.11103492685458 78.960 > 89 90 Se 0.94766501662112 0.05357515940373 0.11103492685458 78.960 > 89 91 Se 0.44766501662112 0.55357515940373 0.11103492685458 78.960 > 89 92 Se 0.94766501662112 0.55357515940373 0.11103492685458 78.960 > 89 93 Se 0.44766501662112 0.05357515940373 0.61103492685458 78.960 > 89 94 Se 0.94766501662112 0.05357515940373 0.61103492685458 78.960 > 89 95 Se 0.44766501662112 0.55357515940373 0.61103492685458 78.960 > 89 96 Se 0.94766501662112 0.55357515940373 0.61103492685458 78.960 > 89 97 Nd 0.34600449106236 0.22702602608601 0.15033300375413 144.242 > 97 98 Nd 0.84600449106236 0.22702602608601 0.15033300375413 144.242 > 97 99 Nd 0.34600449106236 0.72702602608601 0.15033300375413 144.242 > 97 100 Nd 0.84600449106236 0.72702602608601 0.15033300375413 144.242 > 97 101 Nd 0.34600449106236 0.22702602608601 0.65033300375413 144.242 > 97 102 Nd 0.84600449106236 0.22702602608601 0.65033300375413 144.242 > 97 103 Nd 0.34600449106236 0.72702602608601 0.65033300375413 144.242 > 97 104 Nd 0.84600449106236 0.72702602608601 0.65033300375413 144.242 > 97 105 Nd 0.15399550893764 0.47702602608601 0.09966699624587 144.242 > 105 106 Nd 0.65399550893764 0.47702602608601 0.09966699624587 144.242 > 105 107 Nd 0.15399550893764 0.97702602608601 0.09966699624587 144.242 > 105 108 Nd 0.65399550893764 0.97702602608601 0.09966699624587 144.242 > 105 109 Nd 0.15399550893764 0.47702602608601 0.59966699624587 144.242 > 105 110 Nd 0.65399550893764 0.47702602608601 0.59966699624587 144.242 > 105 111 Nd 0.15399550893764 0.97702602608601 0.59966699624587 144.242 > 105 112 Nd 0.65399550893764 0.97702602608601 0.59966699624587 144.242 > 105 113 Nd 0.15399550893764 0.27297397391399 0.34966699624587 144.242 > 113 114 Nd 0.65399550893764 0.27297397391399 0.34966699624587 144.242 > 113 115 Nd 0.15399550893764 0.77297397391399 0.34966699624587 144.242 > 113 116 Nd 0.65399550893764 0.77297397391399 0.34966699624587 144.242 > 113 117 Nd 0.15399550893764 0.27297397391399 0.84966699624587 144.242 > 113 118 Nd 0.65399550893764 0.27297397391399 0.84966699624587 144.242 > 113 119 Nd 0.15399550893764 0.77297397391399 0.84966699624587 144.242 > 113 120 Nd 0.65399550893764 0.77297397391399 0.84966699624587 144.242 > 113 121 Nd 0.34600449106236 0.02297397391399 0.40033300375413 144.242 > 121 122 Nd 0.84600449106236 0.02297397391399 0.40033300375413 144.242 > 121 123 Nd 0.34600449106236 0.52297397391399 0.40033300375413 144.242 > 121 124 Nd 0.84600449106236 0.52297397391399 0.40033300375413 144.242 > 121 125 Nd 0.34600449106236 0.02297397391399 0.90033300375413 144.242 > 121 126 Nd 0.84600449106236 0.02297397391399 0.90033300375413 144.242 > 121 127 Nd 0.34600449106236 0.52297397391399 0.90033300375413 144.242 > 121 128 Nd 0.84600449106236 0.52297397391399 0.90033300375413 144.242 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.1670069 0.0000000 1.8271473 0.0000000 15.1629006 0.0000000 1.8271651 0.0000000 15.4449316 -------------------------- Born effective charges -------------------------- 1 Cu 0.5542854 -0.0840396 0.1756697 -0.1034116 0.9079121 -0.1966396 0.0595776 -0.1744362 1.1846799 2 Cu 0.5542854 -0.0840396 0.1756697 -0.1034116 0.9079121 -0.1966396 0.0595776 -0.1744362 1.1846799 3 Cu 0.5542854 0.0840396 0.1756697 0.1034116 0.9079121 0.1966396 0.0595776 0.1744362 1.1846799 4 Cu 0.5542854 0.0840396 0.1756697 0.1034116 0.9079121 0.1966396 0.0595776 0.1744362 1.1846799 5 Se -2.5072411 0.1371665 0.2934123 0.1469122 -3.1700269 0.2514951 -0.1296429 0.3416640 -2.1870782 6 Se -2.5072411 -0.1371665 0.2934123 -0.1469122 -3.1700269 -0.2514951 -0.1296429 -0.3416640 -2.1870782 7 Se -2.5072411 -0.1371665 0.2934123 -0.1469122 -3.1700269 -0.2514951 -0.1296429 -0.3416640 -2.1870782 8 Se -2.5072411 0.1371665 0.2934123 0.1469122 -3.1700269 0.2514951 -0.1296429 0.3416640 -2.1870782 9 Se -2.2107981 -0.4655852 -0.4944600 -0.5059687 -2.7383415 0.0701191 -0.0641512 0.1792153 -3.0565552 10 Se -2.2107981 0.4655852 -0.4944600 0.5059687 -2.7383415 -0.0701191 -0.0641512 -0.1792153 -3.0565552 11 Se -2.2107981 -0.4655852 -0.4944600 -0.5059687 -2.7383415 0.0701191 -0.0641512 0.1792153 -3.0565552 12 Se -2.2107981 0.4655852 -0.4944600 0.5059687 -2.7383415 -0.0701191 -0.0641512 -0.1792153 -3.0565552 13 Nd 4.1637537 0.1097665 0.0253780 0.1883125 5.0004564 -0.0854430 0.1342165 -0.3243493 4.0589535 14 Nd 4.1637537 -0.1097665 0.0253780 -0.1883125 5.0004564 0.0854430 0.1342165 0.3243493 4.0589535 15 Nd 4.1637537 0.1097665 0.0253780 0.1883125 5.0004564 -0.0854430 0.1342165 -0.3243493 4.0589535 16 Nd 4.1637537 -0.1097665 0.0253780 -0.1883125 5.0004564 0.0854430 0.1342165 0.3243493 4.0589535 ---------------------------------------------------------------------------- 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (xxx) 0.00000005 (xxx) 0.00000005 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:43:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:43:30]------------------------- Compiled with OpenMP support (max 48 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.571104245298801 0.000000000000000 0.000000000000000 b 0.000000000000000 7.403740630000001 0.000000000000000 c -0.777274771122105 0.000000000000000 7.055165830387870 Atomic positions (fractional): 1 Cu 0.06120517066322 0.16312683032612 0.54582034071589 63.546 2 Cu 0.93879482933678 0.83687316967388 0.45417965928411 63.546 3 Cu 0.06120517066322 0.33687316967388 0.04582034071589 63.546 4 Cu 0.93879482933678 0.66312683032612 0.95417965928411 63.546 5 Se 0.41441954130549 0.27851408805924 0.00127649084199 78.960 6 Se 0.41441954130549 0.22148591194076 0.50127649084199 78.960 7 Se 0.58558045869451 0.77851408805925 0.49872350915801 78.960 8 Se 0.58558045869451 0.72148591194075 0.99872350915801 78.960 9 Se 0.89533003324223 0.39284968119253 0.72206985370916 78.960 10 Se 0.10466996675777 0.89284968119254 0.77793014629084 78.960 11 Se 0.10466996675777 0.60715031880746 0.27793014629084 78.960 12 Se 0.89533003324223 0.10715031880747 0.22206985370916 78.960 13 Nd 0.69200898212472 0.45405205217203 0.30066600750826 144.242 14 Nd 0.30799101787528 0.95405205217203 0.19933399249174 144.242 15 Nd 0.30799101787528 0.54594794782797 0.69933399249174 144.242 16 Nd 0.69200898212472 0.04594794782797 0.80066600750826 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.142208490597602 0.000000000000000 0.000000000000000 b 0.000000000000000 14.807481260000001 0.000000000000000 c -1.554549542244210 0.000000000000000 14.110331660775740 Atomic positions (fractional): 1 Cu 0.03060258533161 0.08156341516306 0.27291017035795 63.546 > 1 2 Cu 0.53060258533161 0.08156341516306 0.27291017035795 63.546 > 1 3 Cu 0.03060258533161 0.58156341516306 0.27291017035795 63.546 > 1 4 Cu 0.53060258533161 0.58156341516306 0.27291017035795 63.546 > 1 5 Cu 0.03060258533161 0.08156341516306 0.77291017035795 63.546 > 1 6 Cu 0.53060258533161 0.08156341516306 0.77291017035795 63.546 > 1 7 Cu 0.03060258533161 0.58156341516306 0.77291017035795 63.546 > 1 8 Cu 0.53060258533161 0.58156341516306 0.77291017035795 63.546 > 1 9 Cu 0.46939741466839 0.41843658483694 0.22708982964205 63.546 > 9 10 Cu 0.96939741466839 0.41843658483694 0.22708982964205 63.546 > 9 11 Cu 0.46939741466839 0.91843658483694 0.22708982964205 63.546 > 9 12 Cu 0.96939741466839 0.91843658483694 0.22708982964205 63.546 > 9 13 Cu 0.46939741466839 0.41843658483694 0.72708982964205 63.546 > 9 14 Cu 0.96939741466839 0.41843658483694 0.72708982964205 63.546 > 9 15 Cu 0.46939741466839 0.91843658483694 0.72708982964205 63.546 > 9 16 Cu 0.96939741466839 0.91843658483694 0.72708982964205 63.546 > 9 17 Cu 0.03060258533161 0.16843658483694 0.02291017035795 63.546 > 17 18 Cu 0.53060258533161 0.16843658483694 0.02291017035795 63.546 > 17 19 Cu 0.03060258533161 0.66843658483694 0.02291017035795 63.546 > 17 20 Cu 0.53060258533161 0.66843658483694 0.02291017035795 63.546 > 17 21 Cu 0.03060258533161 0.16843658483694 0.52291017035795 63.546 > 17 22 Cu 0.53060258533161 0.16843658483694 0.52291017035795 63.546 > 17 23 Cu 0.03060258533161 0.66843658483694 0.52291017035795 63.546 > 17 24 Cu 0.53060258533161 0.66843658483694 0.52291017035795 63.546 > 17 25 Cu 0.46939741466839 0.33156341516306 0.47708982964205 63.546 > 25 26 Cu 0.96939741466839 0.33156341516306 0.47708982964205 63.546 > 25 27 Cu 0.46939741466839 0.83156341516306 0.47708982964205 63.546 > 25 28 Cu 0.96939741466839 0.83156341516306 0.47708982964205 63.546 > 25 29 Cu 0.46939741466839 0.33156341516306 0.97708982964205 63.546 > 25 30 Cu 0.96939741466839 0.33156341516306 0.97708982964205 63.546 > 25 31 Cu 0.46939741466839 0.83156341516306 0.97708982964205 63.546 > 25 32 Cu 0.96939741466839 0.83156341516306 0.97708982964205 63.546 > 25 33 Se 0.20720977065275 0.13925704402962 0.00063824542100 78.960 > 33 34 Se 0.70720977065275 0.13925704402962 0.00063824542100 78.960 > 33 35 Se 0.20720977065275 0.63925704402962 0.00063824542100 78.960 > 33 36 Se 0.70720977065275 0.63925704402962 0.00063824542100 78.960 > 33 37 Se 0.20720977065275 0.13925704402962 0.50063824542100 78.960 > 33 38 Se 0.70720977065275 0.13925704402962 0.50063824542100 78.960 > 33 39 Se 0.20720977065275 0.63925704402962 0.50063824542100 78.960 > 33 40 Se 0.70720977065275 0.63925704402962 0.50063824542100 78.960 > 33 41 Se 0.20720977065275 0.11074295597038 0.25063824542100 78.960 > 41 42 Se 0.70720977065275 0.11074295597038 0.25063824542100 78.960 > 41 43 Se 0.20720977065275 0.61074295597038 0.25063824542100 78.960 > 41 44 Se 0.70720977065275 0.61074295597038 0.25063824542100 78.960 > 41 45 Se 0.20720977065275 0.11074295597038 0.75063824542100 78.960 > 41 46 Se 0.70720977065275 0.11074295597038 0.75063824542100 78.960 > 41 47 Se 0.20720977065275 0.61074295597038 0.75063824542100 78.960 > 41 48 Se 0.70720977065275 0.61074295597038 0.75063824542100 78.960 > 41 49 Se 0.29279022934725 0.38925704402962 0.24936175457900 78.960 > 49 50 Se 0.79279022934725 0.38925704402962 0.24936175457900 78.960 > 49 51 Se 0.29279022934725 0.88925704402962 0.24936175457900 78.960 > 49 52 Se 0.79279022934725 0.88925704402962 0.24936175457900 78.960 > 49 53 Se 0.29279022934725 0.38925704402962 0.74936175457900 78.960 > 49 54 Se 0.79279022934725 0.38925704402962 0.74936175457900 78.960 > 49 55 Se 0.29279022934725 0.88925704402962 0.74936175457900 78.960 > 49 56 Se 0.79279022934725 0.88925704402962 0.74936175457900 78.960 > 49 57 Se 0.29279022934725 0.36074295597038 0.49936175457900 78.960 > 57 58 Se 0.79279022934725 0.36074295597038 0.49936175457900 78.960 > 57 59 Se 0.29279022934725 0.86074295597038 0.49936175457900 78.960 > 57 60 Se 0.79279022934725 0.86074295597038 0.49936175457900 78.960 > 57 61 Se 0.29279022934725 0.36074295597038 0.99936175457900 78.960 > 57 62 Se 0.79279022934725 0.36074295597038 0.99936175457900 78.960 > 57 63 Se 0.29279022934725 0.86074295597038 0.99936175457900 78.960 > 57 64 Se 0.79279022934725 0.86074295597038 0.99936175457900 78.960 > 57 65 Se 0.44766501662112 0.19642484059627 0.36103492685458 78.960 > 65 66 Se 0.94766501662112 0.19642484059627 0.36103492685458 78.960 > 65 67 Se 0.44766501662112 0.69642484059627 0.36103492685458 78.960 > 65 68 Se 0.94766501662112 0.69642484059627 0.36103492685458 78.960 > 65 69 Se 0.44766501662112 0.19642484059627 0.86103492685458 78.960 > 65 70 Se 0.94766501662112 0.19642484059627 0.86103492685458 78.960 > 65 71 Se 0.44766501662112 0.69642484059627 0.86103492685458 78.960 > 65 72 Se 0.94766501662112 0.69642484059627 0.86103492685458 78.960 > 65 73 Se 0.05233498337889 0.44642484059627 0.38896507314542 78.960 > 73 74 Se 0.55233498337888 0.44642484059627 0.38896507314542 78.960 > 73 75 Se 0.05233498337889 0.94642484059627 0.38896507314542 78.960 > 73 76 Se 0.55233498337888 0.94642484059627 0.38896507314542 78.960 > 73 77 Se 0.05233498337889 0.44642484059627 0.88896507314542 78.960 > 73 78 Se 0.55233498337888 0.44642484059627 0.88896507314542 78.960 > 73 79 Se 0.05233498337889 0.94642484059627 0.88896507314542 78.960 > 73 80 Se 0.55233498337888 0.94642484059627 0.88896507314542 78.960 > 73 81 Se 0.05233498337889 0.30357515940373 0.13896507314542 78.960 > 81 82 Se 0.55233498337888 0.30357515940373 0.13896507314542 78.960 > 81 83 Se 0.05233498337889 0.80357515940373 0.13896507314542 78.960 > 81 84 Se 0.55233498337888 0.80357515940373 0.13896507314542 78.960 > 81 85 Se 0.05233498337889 0.30357515940373 0.63896507314542 78.960 > 81 86 Se 0.55233498337888 0.30357515940373 0.63896507314542 78.960 > 81 87 Se 0.05233498337889 0.80357515940373 0.63896507314542 78.960 > 81 88 Se 0.55233498337888 0.80357515940373 0.63896507314542 78.960 > 81 89 Se 0.44766501662112 0.05357515940373 0.11103492685458 78.960 > 89 90 Se 0.94766501662112 0.05357515940373 0.11103492685458 78.960 > 89 91 Se 0.44766501662112 0.55357515940373 0.11103492685458 78.960 > 89 92 Se 0.94766501662112 0.55357515940373 0.11103492685458 78.960 > 89 93 Se 0.44766501662112 0.05357515940373 0.61103492685458 78.960 > 89 94 Se 0.94766501662112 0.05357515940373 0.61103492685458 78.960 > 89 95 Se 0.44766501662112 0.55357515940373 0.61103492685458 78.960 > 89 96 Se 0.94766501662112 0.55357515940373 0.61103492685458 78.960 > 89 97 Nd 0.34600449106236 0.22702602608601 0.15033300375413 144.242 > 97 98 Nd 0.84600449106236 0.22702602608601 0.15033300375413 144.242 > 97 99 Nd 0.34600449106236 0.72702602608601 0.15033300375413 144.242 > 97 100 Nd 0.84600449106236 0.72702602608601 0.15033300375413 144.242 > 97 101 Nd 0.34600449106236 0.22702602608601 0.65033300375413 144.242 > 97 102 Nd 0.84600449106236 0.22702602608601 0.65033300375413 144.242 > 97 103 Nd 0.34600449106236 0.72702602608601 0.65033300375413 144.242 > 97 104 Nd 0.84600449106236 0.72702602608601 0.65033300375413 144.242 > 97 105 Nd 0.15399550893764 0.47702602608601 0.09966699624587 144.242 > 105 106 Nd 0.65399550893764 0.47702602608601 0.09966699624587 144.242 > 105 107 Nd 0.15399550893764 0.97702602608601 0.09966699624587 144.242 > 105 108 Nd 0.65399550893764 0.97702602608601 0.09966699624587 144.242 > 105 109 Nd 0.15399550893764 0.47702602608601 0.59966699624587 144.242 > 105 110 Nd 0.65399550893764 0.47702602608601 0.59966699624587 144.242 > 105 111 Nd 0.15399550893764 0.97702602608601 0.59966699624587 144.242 > 105 112 Nd 0.65399550893764 0.97702602608601 0.59966699624587 144.242 > 105 113 Nd 0.15399550893764 0.27297397391399 0.34966699624587 144.242 > 113 114 Nd 0.65399550893764 0.27297397391399 0.34966699624587 144.242 > 113 115 Nd 0.15399550893764 0.77297397391399 0.34966699624587 144.242 > 113 116 Nd 0.65399550893764 0.77297397391399 0.34966699624587 144.242 > 113 117 Nd 0.15399550893764 0.27297397391399 0.84966699624587 144.242 > 113 118 Nd 0.65399550893764 0.27297397391399 0.84966699624587 144.242 > 113 119 Nd 0.15399550893764 0.77297397391399 0.84966699624587 144.242 > 113 120 Nd 0.65399550893764 0.77297397391399 0.84966699624587 144.242 > 113 121 Nd 0.34600449106236 0.02297397391399 0.40033300375413 144.242 > 121 122 Nd 0.84600449106236 0.02297397391399 0.40033300375413 144.242 > 121 123 Nd 0.34600449106236 0.52297397391399 0.40033300375413 144.242 > 121 124 Nd 0.84600449106236 0.52297397391399 0.40033300375413 144.242 > 121 125 Nd 0.34600449106236 0.02297397391399 0.90033300375413 144.242 > 121 126 Nd 0.84600449106236 0.02297397391399 0.90033300375413 144.242 > 121 127 Nd 0.34600449106236 0.52297397391399 0.90033300375413 144.242 > 121 128 Nd 0.84600449106236 0.52297397391399 0.90033300375413 144.242 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.1670069 0.0000000 1.8271473 0.0000000 15.1629006 0.0000000 1.8271651 0.0000000 15.4449316 -------------------------- Born effective charges -------------------------- 1 Cu 0.5542854 -0.0840396 0.1756697 -0.1034116 0.9079121 -0.1966396 0.0595776 -0.1744362 1.1846799 2 Cu 0.5542854 -0.0840396 0.1756697 -0.1034116 0.9079121 -0.1966396 0.0595776 -0.1744362 1.1846799 3 Cu 0.5542854 0.0840396 0.1756697 0.1034116 0.9079121 0.1966396 0.0595776 0.1744362 1.1846799 4 Cu 0.5542854 0.0840396 0.1756697 0.1034116 0.9079121 0.1966396 0.0595776 0.1744362 1.1846799 5 Se -2.5072411 0.1371665 0.2934123 0.1469122 -3.1700269 0.2514951 -0.1296429 0.3416640 -2.1870782 6 Se -2.5072411 -0.1371665 0.2934123 -0.1469122 -3.1700269 -0.2514951 -0.1296429 -0.3416640 -2.1870782 7 Se -2.5072411 -0.1371665 0.2934123 -0.1469122 -3.1700269 -0.2514951 -0.1296429 -0.3416640 -2.1870782 8 Se -2.5072411 0.1371665 0.2934123 0.1469122 -3.1700269 0.2514951 -0.1296429 0.3416640 -2.1870782 9 Se -2.2107981 -0.4655852 -0.4944600 -0.5059687 -2.7383415 0.0701191 -0.0641512 0.1792153 -3.0565552 10 Se -2.2107981 0.4655852 -0.4944600 0.5059687 -2.7383415 -0.0701191 -0.0641512 -0.1792153 -3.0565552 11 Se -2.2107981 -0.4655852 -0.4944600 -0.5059687 -2.7383415 0.0701191 -0.0641512 0.1792153 -3.0565552 12 Se -2.2107981 0.4655852 -0.4944600 0.5059687 -2.7383415 -0.0701191 -0.0641512 -0.1792153 -3.0565552 13 Nd 4.1637537 0.1097665 0.0253780 0.1883125 5.0004564 -0.0854430 0.1342165 -0.3243493 4.0589535 14 Nd 4.1637537 -0.1097665 0.0253780 -0.1883125 5.0004564 0.0854430 0.1342165 0.3243493 4.0589535 15 Nd 4.1637537 0.1097665 0.0253780 0.1883125 5.0004564 -0.0854430 0.1342165 -0.3243493 4.0589535 16 Nd 4.1637537 -0.1097665 0.0253780 -0.1883125 5.0004564 0.0854430 0.1342165 0.3243493 4.0589535 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (xxx) 0.00000005 (xxx) 0.00000005 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 299, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 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 1.864 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.384 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.710 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.259 ( 0.000 0.000 0.000) 0.000 4.394 ( 0.000 0.000 0.000) 0.000 4.402 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.587 ( 0.000 0.000 0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.048 ( 0.000 0.000 0.000) 0.000 5.227 ( 0.000 0.000 0.000) 0.000 5.291 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.893 ( 0.000 0.000 0.000) 0.000 5.955 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( 20.012 0.000 2.185) 20.131 0.457 ( 23.083 0.000 1.452) 23.128 0.657 ( 32.891 0.000 8.613) 34.000 1.754 ( -8.176 0.000 -2.242) 8.478 1.897 ( 0.205 0.000 -1.420) 1.434 1.931 ( 0.161 0.000 2.615) 2.620 2.095 ( -2.446 0.000 4.000) 4.688 2.180 ( -2.503 0.000 1.071) 2.723 2.315 ( 0.755 0.000 -2.922) 3.018 2.394 ( 0.674 0.000 4.891) 4.937 2.413 ( -2.251 0.000 1.565) 2.742 2.606 ( -0.107 0.000 -0.544) 0.555 2.621 ( -2.656 0.000 1.950) 3.295 2.649 ( -4.938 0.000 -4.517) 6.692 2.744 ( 1.245 0.000 -0.773) 1.465 2.853 ( 2.431 0.000 2.709) 3.640 2.912 ( -5.228 0.000 0.666) 5.270 2.982 ( 1.639 0.000 2.447) 2.945 3.290 ( 1.351 0.000 -6.061) 6.210 3.291 ( -1.750 0.000 2.041) 2.689 3.365 ( 2.876 0.000 -6.417) 7.032 3.661 ( -5.097 0.000 1.723) 5.381 3.934 ( 1.634 0.000 -1.586) 2.277 4.053 ( -0.133 0.000 5.960) 5.962 4.072 ( -0.314 0.000 -2.190) 2.212 4.259 ( 0.007 0.000 -0.502) 0.502 4.287 ( -6.151 0.000 -0.946) 6.223 4.472 ( 1.740 0.000 0.548) 1.824 4.582 ( 4.310 0.000 -0.635) 4.356 4.640 ( 1.644 0.000 0.151) 1.651 4.886 ( 0.160 0.000 4.591) 4.594 4.920 ( 2.361 0.000 -1.353) 2.721 4.923 ( -5.424 0.000 -0.391) 5.438 5.047 ( 0.049 0.000 -0.299) 0.303 5.048 ( 1.762 0.000 -5.856) 6.116 5.154 ( -5.030 0.000 -3.382) 6.061 5.219 ( 3.885 0.000 -0.370) 3.903 5.306 ( 1.731 0.000 -0.625) 1.841 5.403 ( 2.509 0.000 0.607) 2.581 5.532 ( -3.059 0.000 0.334) 3.077 5.561 ( -0.582 0.000 1.126) 1.268 5.729 ( 2.518 0.000 -0.356) 2.543 5.762 ( -0.838 0.000 6.085) 6.142 5.808 ( -0.515 0.000 0.535) 0.742 5.882 ( -0.353 0.000 1.159) 1.212 5.906 ( 0.493 0.000 0.864) 0.994 5.934 ( -2.090 0.000 -0.313) 2.113 6.248 ( 2.517 0.000 -7.227) 7.653 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 18.607 0.000 2.353) 18.755 0.867 ( 19.132 0.000 1.472) 19.189 1.271 ( 29.287 0.000 8.308) 30.443 1.564 ( -10.906 0.000 -1.478) 11.006 1.846 ( -5.571 0.000 -3.068) 6.360 1.909 ( -2.617 0.000 1.950) 3.264 2.106 ( 3.850 0.000 -0.110) 3.852 2.136 ( -2.107 0.000 3.830) 4.371 2.299 ( -1.387 0.000 -5.406) 5.581 2.355 ( -4.082 0.000 3.137) 5.148 2.426 ( 1.058 0.000 5.320) 5.424 2.528 ( -5.224 0.000 -4.404) 6.833 2.573 ( -3.166 0.000 -3.203) 4.504 2.604 ( 0.072 0.000 0.799) 0.802 2.758 ( 0.379 0.000 -0.915) 0.990 2.780 ( -8.112 0.000 1.091) 8.185 2.918 ( 3.291 0.000 3.321) 4.676 3.048 ( 4.279 0.000 3.980) 5.843 3.262 ( -1.087 0.000 -1.036) 1.502 3.297 ( 0.243 0.000 -5.759) 5.764 3.400 ( 1.736 0.000 -4.647) 4.961 3.536 ( -7.790 0.000 1.807) 7.997 3.963 ( 1.503 0.000 -1.301) 1.988 3.994 ( -6.830 0.000 -2.576) 7.299 4.070 ( -0.232 0.000 4.313) 4.319 4.210 ( -1.346 0.000 -1.207) 1.808 4.255 ( -0.329 0.000 -0.789) 0.855 4.489 ( 0.354 0.000 2.304) 2.331 4.660 ( -0.246 0.000 -0.429) 0.494 4.693 ( 7.059 0.000 -1.436) 7.203 4.845 ( -1.957 0.000 0.370) 1.991 4.905 ( 0.708 0.000 4.082) 4.143 4.967 ( 2.189 0.000 1.776) 2.818 5.048 ( -0.207 0.000 -3.316) 3.323 5.062 ( -2.986 0.000 -0.906) 3.121 5.073 ( 1.516 0.000 -0.775) 1.703 5.276 ( 2.118 0.000 -1.367) 2.521 5.356 ( 3.414 0.000 0.064) 3.415 5.397 ( -2.827 0.000 -2.427) 3.726 5.503 ( -0.074 0.000 1.611) 1.613 5.548 ( -1.113 0.000 1.981) 2.273 5.740 ( -1.138 0.000 -0.643) 1.307 5.759 ( -0.435 0.000 2.183) 2.225 5.821 ( 1.608 0.000 0.884) 1.835 5.878 ( -0.641 0.000 1.561) 1.687 5.879 ( -3.316 0.000 -0.610) 3.371 5.924 ( 1.404 0.000 1.386) 1.973 6.288 ( 2.587 0.000 -3.124) 4.056 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 15.773 0.000 2.472) 15.966 1.162 ( 10.360 0.000 1.931) 10.538 1.367 ( -8.089 0.000 -0.882) 8.137 1.690 ( -9.522 0.000 -3.053) 10.000 1.773 ( 20.441 0.000 8.811) 22.259 1.870 ( -0.824 0.000 -0.649) 1.049 2.127 ( -0.144 0.000 6.598) 6.600 2.192 ( 0.846 0.000 -9.009) 9.048 2.273 ( 3.713 0.000 0.697) 3.778 2.288 ( -3.226 0.000 3.624) 4.852 2.408 ( -5.825 0.000 -8.553) 10.348 2.449 ( 1.016 0.000 -0.114) 1.022 2.517 ( -2.065 0.000 -2.390) 3.158 2.610 ( -0.423 0.000 4.436) 4.456 2.644 ( -5.560 0.000 1.668) 5.805 2.760 ( 0.181 0.000 -0.575) 0.603 2.979 ( 2.211 0.000 2.350) 3.226 3.089 ( -4.337 0.000 3.935) 5.856 3.248 ( -0.275 0.000 -1.340) 1.368 3.285 ( 2.112 0.000 -3.263) 3.887 3.413 ( 0.585 0.000 -2.577) 2.642 3.423 ( -3.221 0.000 -1.344) 3.491 3.837 ( -7.907 0.000 -0.579) 7.928 3.983 ( 0.773 0.000 -0.465) 0.902 4.071 ( -0.355 0.000 2.687) 2.710 4.198 ( -0.089 0.000 -2.127) 2.129 4.245 ( -0.428 0.000 -0.631) 0.762 4.511 ( 1.613 0.000 2.080) 2.632 4.626 ( -2.652 0.000 0.241) 2.663 4.823 ( 6.365 0.000 -1.802) 6.615 4.845 ( 1.017 0.000 0.158) 1.029 4.924 ( 0.525 0.000 2.510) 2.565 4.994 ( -0.659 0.000 -1.014) 1.209 4.996 ( -1.649 0.000 2.503) 2.997 5.076 ( 2.016 0.000 -1.418) 2.464 5.098 ( 1.015 0.000 0.364) 1.078 5.300 ( 0.811 0.000 -0.946) 1.246 5.327 ( -3.324 0.000 -1.913) 3.835 5.424 ( 3.680 0.000 -1.046) 3.826 5.508 ( 0.076 0.000 0.424) 0.431 5.527 ( -1.699 0.000 2.435) 2.970 5.710 ( -1.489 0.000 -0.089) 1.491 5.754 ( -0.529 0.000 0.999) 1.131 5.818 ( -2.522 0.000 -0.762) 2.635 5.849 ( 0.862 0.000 0.928) 1.267 5.866 ( -0.610 0.000 0.522) 0.803 5.957 ( 1.446 0.000 1.039) 1.780 6.325 ( 1.626 0.000 -1.338) 2.106 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 0.000 0.000 -0.000) 0.000 1.310 ( 0.000 0.000 -0.000) 0.000 1.314 ( 0.000 0.000 0.000) 0.000 1.538 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 -0.000) 0.000 2.138 ( 0.000 0.000 -0.000) 0.000 2.269 ( -0.000 0.000 -0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 -0.000) 0.000 2.475 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 -0.000) 0.000 2.600 ( 0.000 0.000 -0.000) 0.000 2.763 ( 0.000 0.000 -0.000) 0.000 2.993 ( 0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 -0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 -0.000) 0.000 3.381 ( 0.000 0.000 -0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 -0.000) 0.000 3.990 ( 0.000 0.000 -0.000) 0.000 4.070 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 -0.000) 0.000 4.240 ( 0.000 0.000 -0.000) 0.000 4.543 ( 0.000 0.000 -0.000) 0.000 4.588 ( 0.000 0.000 -0.000) 0.000 4.858 ( 0.000 0.000 -0.000) 0.000 4.894 ( 0.000 0.000 -0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 4.950 ( -0.000 0.000 -0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 -0.000) 0.000 5.109 ( 0.000 0.000 -0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 -0.000) 0.000 5.498 ( -0.000 0.000 -0.000) 0.000 5.508 ( 0.000 0.000 -0.000) 0.000 5.694 ( 0.000 0.000 -0.000) 0.000 5.746 ( 0.000 0.000 -0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.865 ( -0.000 0.000 -0.000) 0.000 5.973 ( 0.000 0.000 -0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 0.000 22.469 0.000) 22.469 0.487 ( 0.000 24.809 0.000) 24.809 0.863 ( 0.000 43.311 0.000) 43.311 1.852 ( 0.000 -1.465 0.000) 1.465 1.913 ( 0.000 2.314 0.000) 2.314 1.943 ( 0.000 4.401 0.000) 4.401 2.135 ( 0.000 4.046 0.000) 4.046 2.142 ( 0.000 -5.646 0.000) 5.646 2.346 ( 0.000 -2.646 0.000) 2.646 2.355 ( 0.000 4.617 0.000) 4.617 2.476 ( 0.000 2.651 0.000) 2.651 2.519 ( 0.000 -12.292 0.000) 12.292 2.562 ( 0.000 -6.167 0.000) 6.167 2.613 ( 0.000 -0.829 0.000) 0.829 2.753 ( 0.000 -1.419 0.000) 1.419 2.908 ( 0.000 -2.571 0.000) 2.571 2.910 ( 0.000 1.308 0.000) 1.308 3.067 ( 0.000 7.358 0.000) 7.358 3.122 ( 0.000 7.474 0.000) 7.474 3.285 ( 0.000 -2.250 0.000) 2.250 3.319 ( 0.000 -4.720 0.000) 4.720 3.653 ( 0.000 -5.634 0.000) 5.634 3.727 ( 0.000 -12.392 0.000) 12.392 4.130 ( 0.000 5.525 0.000) 5.525 4.155 ( 0.000 1.918 0.000) 1.918 4.266 ( 0.000 -0.096 0.000) 0.096 4.368 ( 0.000 -4.831 0.000) 4.831 4.465 ( 0.000 5.154 0.000) 5.154 4.473 ( 0.000 -2.813 0.000) 2.813 4.781 ( 0.000 3.165 0.000) 3.165 4.800 ( 0.000 -6.743 0.000) 6.743 4.918 ( 0.000 -0.594 0.000) 0.594 5.005 ( 0.000 0.433 0.000) 0.433 5.049 ( 0.000 0.553 0.000) 0.553 5.123 ( 0.000 0.162 0.000) 0.162 5.134 ( 0.000 4.740 0.000) 4.740 5.312 ( 0.000 1.788 0.000) 1.788 5.370 ( 0.000 0.800 0.000) 0.800 5.445 ( 0.000 2.880 0.000) 2.880 5.451 ( 0.000 -0.350 0.000) 0.350 5.546 ( 0.000 -1.667 0.000) 1.667 5.593 ( 0.000 2.132 0.000) 2.132 5.819 ( 0.000 0.096 0.000) 0.096 5.867 ( 0.000 -1.552 0.000) 1.552 5.877 ( 0.000 -0.688 0.000) 0.688 5.958 ( 0.000 0.308 0.000) 0.308 6.017 ( 0.000 0.929 0.000) 0.929 6.243 ( 0.000 -0.811 0.000) 0.811 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 12.431 15.178 5.048) 20.258 0.601 ( 12.245 17.739 2.898) 21.748 1.090 ( 18.704 32.114 2.648) 37.258 1.792 ( -6.164 3.315 -1.605) 7.181 1.905 ( -0.532 0.216 1.766) 1.857 1.962 ( 0.688 4.010 -0.978) 4.184 2.086 ( -2.685 -2.772 0.561) 3.900 2.161 ( -0.437 0.760 1.371) 1.627 2.324 ( -1.501 -2.336 -2.226) 3.559 2.359 ( -0.480 1.545 2.026) 2.593 2.463 ( -0.311 1.094 2.297) 2.563 2.537 ( 0.387 -6.753 0.104) 6.765 2.558 ( -1.233 -6.310 0.954) 6.500 2.613 ( -0.166 -0.848 -1.293) 1.556 2.710 ( -2.186 -1.529 -2.432) 3.610 2.867 ( -4.127 -2.471 -0.487) 4.834 2.893 ( -1.093 1.921 1.494) 2.668 3.064 ( 0.961 4.918 3.251) 5.974 3.194 ( 3.823 0.575 -2.183) 4.439 3.291 ( 0.078 -1.827 0.692) 1.955 3.346 ( 3.043 -3.421 -5.375) 7.061 3.614 ( -4.112 -4.237 1.096) 6.005 3.755 ( 2.604 -11.615 -0.619) 11.919 4.119 ( -1.776 2.424 -4.759) 5.628 4.148 ( -1.064 2.063 4.784) 5.317 4.261 ( -0.496 0.739 1.826) 2.031 4.324 ( -1.765 4.752 0.339) 5.081 4.477 ( 0.259 -3.261 1.342) 3.536 4.530 ( 4.297 -1.336 -3.113) 5.472 4.742 ( -1.299 7.227 0.566) 7.364 4.813 ( 0.964 -5.978 1.588) 6.260 4.942 ( 1.019 -0.142 -1.682) 1.972 4.952 ( -3.168 1.328 -0.107) 3.437 5.008 ( -2.938 0.243 1.009) 3.116 5.126 ( -0.265 1.189 -3.692) 3.888 5.144 ( 0.441 3.697 0.974) 3.848 5.315 ( 0.914 0.982 0.316) 1.378 5.345 ( -1.892 5.606 -2.996) 6.632 5.400 ( 0.787 -0.261 -1.548) 1.756 5.545 ( -0.324 -1.645 0.944) 1.924 5.549 ( -0.339 1.206 2.789) 3.057 5.589 ( 2.613 -3.605 0.914) 4.545 5.804 ( -1.673 0.510 0.896) 1.965 5.871 ( 0.281 0.355 1.669) 1.729 5.881 ( 0.460 -1.897 0.545) 2.027 5.924 ( -2.625 2.031 0.448) 3.349 5.974 ( -2.714 4.316 -0.452) 5.119 6.227 ( 0.886 -1.620 -4.335) 4.712 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 16.295 9.262 0.091) 18.743 0.897 ( 16.914 5.987 5.369) 18.729 1.452 ( 15.462 14.505 6.722) 22.240 1.628 ( -9.675 6.596 -0.596) 11.725 1.882 ( -2.427 0.837 -0.510) 2.618 1.922 ( -4.026 4.512 -1.440) 6.216 2.076 ( 0.708 -4.018 2.858) 4.981 2.176 ( 3.714 4.545 -0.713) 5.913 2.283 ( -2.345 -2.866 0.185) 3.707 2.337 ( -1.753 0.034 -3.111) 3.571 2.456 ( -3.140 0.416 6.018) 6.801 2.504 ( -3.159 -2.037 -2.965) 4.788 2.539 ( 0.739 -2.413 -2.610) 3.630 2.594 ( -0.558 -0.888 -0.622) 1.219 2.704 ( -0.694 -3.276 0.941) 3.478 2.760 ( -4.306 -2.145 -0.918) 4.897 2.900 ( 1.123 0.644 2.110) 2.475 3.117 ( 3.203 3.452 3.837) 6.074 3.214 ( -0.437 -1.522 -2.853) 3.263 3.315 ( 2.522 -1.462 -2.880) 4.098 3.380 ( 1.331 -2.671 -4.614) 5.494 3.504 ( -7.518 -1.611 1.254) 7.790 3.806 ( 2.220 -10.065 1.043) 10.359 4.019 ( -6.823 0.349 -2.490) 7.272 4.143 ( -0.619 4.318 1.827) 4.729 4.270 ( 0.869 4.452 1.572) 4.801 4.310 ( -0.108 4.933 -1.011) 5.037 4.485 ( 0.339 -0.228 1.057) 1.133 4.592 ( 2.691 -3.905 -1.851) 5.091 4.754 ( 1.294 3.505 0.560) 3.778 4.835 ( 1.380 -0.051 0.348) 1.424 4.901 ( -0.851 -1.268 2.583) 3.000 4.957 ( 0.125 0.736 1.492) 1.668 4.985 ( -0.193 -3.757 0.035) 3.763 5.078 ( -3.037 1.602 -3.641) 5.005 5.159 ( 1.385 4.640 -1.157) 4.979 5.326 ( -0.522 3.237 -0.546) 3.324 5.357 ( 2.718 -0.008 0.365) 2.742 5.390 ( -0.926 -0.515 -3.261) 3.429 5.506 ( -2.462 -0.130 2.075) 3.223 5.538 ( -0.787 -0.629 0.582) 1.163 5.649 ( 2.072 -5.421 1.844) 6.089 5.765 ( -2.354 1.065 0.533) 2.638 5.870 ( -0.922 -0.502 1.353) 1.713 5.874 ( -1.849 0.944 0.153) 2.082 5.916 ( 1.318 1.159 0.545) 1.837 5.934 ( -0.722 3.701 0.753) 3.845 6.256 ( 2.382 -2.926 -2.623) 4.595 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 12.190 6.227 2.275) 13.877 1.207 ( 13.785 3.403 0.903) 14.227 1.422 ( -7.832 5.312 0.377) 9.472 1.671 ( 3.245 -4.848 5.956) 8.337 1.751 ( -8.749 5.889 -3.337) 11.061 1.943 ( 5.196 3.680 2.011) 6.677 2.102 ( 1.137 -3.230 4.512) 5.664 2.201 ( -3.765 0.961 -2.734) 4.751 2.290 ( -1.858 -1.388 -3.300) 4.033 2.316 ( 6.459 2.793 0.819) 7.084 2.371 ( -4.551 -1.814 -2.008) 5.295 2.447 ( -2.222 -0.510 -1.354) 2.652 2.546 ( -0.077 1.754 -4.039) 4.404 2.594 ( -3.854 0.678 0.625) 3.962 2.646 ( 2.857 1.128 4.641) 5.565 2.781 ( 3.383 1.126 -1.636) 3.923 2.935 ( 1.697 -1.911 2.107) 3.312 3.139 ( -4.158 2.451 2.887) 5.624 3.212 ( 1.088 -1.369 -0.945) 1.988 3.353 ( 0.713 1.124 -0.199) 1.346 3.365 ( -3.396 -5.845 -0.557) 6.782 3.386 ( -0.118 0.950 -5.380) 5.464 3.807 ( -3.792 -5.824 2.545) 7.401 3.913 ( -1.768 -0.715 -1.884) 2.681 4.128 ( -0.956 4.356 0.001) 4.460 4.287 ( 0.534 6.453 0.249) 6.480 4.308 ( -0.042 5.330 -0.277) 5.337 4.498 ( 0.936 -0.723 0.876) 1.472 4.607 ( -0.773 -1.220 -0.524) 1.536 4.786 ( 2.083 -2.334 0.305) 3.143 4.881 ( 2.930 3.020 -0.730) 4.270 4.913 ( 0.758 -2.366 3.044) 3.929 4.966 ( 0.190 -2.232 1.517) 2.706 4.973 ( -1.188 -2.944 0.659) 3.242 5.028 ( -1.105 0.342 -2.635) 2.878 5.191 ( 2.127 4.395 -1.415) 5.083 5.289 ( -3.189 -0.166 -0.450) 3.225 5.361 ( -0.402 1.571 -0.587) 1.725 5.422 ( 2.978 -0.237 -2.307) 3.775 5.479 ( -0.753 -2.772 1.836) 3.409 5.521 ( -1.163 -0.491 1.061) 1.649 5.676 ( 0.528 -4.761 1.173) 4.932 5.725 ( -1.641 1.221 0.034) 2.046 5.828 ( -2.450 1.996 -0.389) 3.184 5.852 ( -0.992 -1.096 0.843) 1.702 5.928 ( 0.516 4.040 0.179) 4.077 5.958 ( 1.396 0.244 1.202) 1.858 6.292 ( 1.604 -3.200 -1.221) 3.782 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.000 6.199 -0.000) 6.199 1.294 ( 0.000 2.971 0.000) 2.971 1.451 ( 0.000 8.632 0.000) 8.632 1.569 ( 0.000 0.042 -0.000) 0.042 1.722 ( 0.000 -7.677 0.000) 7.677 2.044 ( 0.000 -0.353 0.000) 0.353 2.067 ( 0.000 -3.034 -0.000) 3.034 2.173 ( 0.000 3.277 -0.000) 3.277 2.274 ( 0.000 -4.389 0.000) 4.389 2.301 ( 0.000 2.917 0.000) 2.917 2.406 ( 0.000 0.850 0.000) 0.850 2.407 ( -0.000 -3.456 -0.000) 3.456 2.535 ( 0.000 1.526 -0.000) 1.526 2.549 ( 0.000 0.749 0.000) 0.749 2.710 ( 0.000 3.840 -0.000) 3.840 2.856 ( 0.000 10.099 -0.000) 10.099 2.953 ( 0.000 -2.020 0.000) 2.020 3.032 ( 0.000 1.217 0.000) 1.217 3.216 ( 0.000 -2.935 -0.000) 2.935 3.342 ( 0.000 -4.471 0.000) 4.471 3.369 ( 0.000 -4.004 0.000) 4.004 3.384 ( 0.000 4.274 -0.000) 4.274 3.749 ( 0.000 -1.278 0.000) 1.278 3.908 ( 0.000 -3.952 0.000) 3.952 4.117 ( 0.000 4.349 0.000) 4.349 4.292 ( 0.000 6.850 -0.000) 6.850 4.307 ( 0.000 6.224 -0.000) 6.224 4.514 ( 0.000 -2.269 0.000) 2.269 4.591 ( 0.000 0.586 0.000) 0.586 4.811 ( 0.000 -3.453 0.000) 3.453 4.915 ( 0.000 1.196 -0.000) 1.196 4.935 ( 0.000 -1.291 0.000) 1.291 4.945 ( -0.000 -1.659 -0.000) 1.659 4.972 ( -0.000 -2.445 -0.000) 2.445 5.019 ( 0.000 -1.494 0.000) 1.494 5.225 ( 0.000 6.278 -0.000) 6.278 5.238 ( 0.000 -2.715 0.000) 2.715 5.358 ( 0.000 1.701 0.000) 1.701 5.448 ( 0.000 -3.233 -0.000) 3.233 5.485 ( 0.000 -1.943 -0.000) 1.943 5.503 ( 0.000 0.593 0.000) 0.593 5.679 ( 0.000 -3.839 -0.000) 3.839 5.710 ( 0.000 0.498 -0.000) 0.498 5.801 ( 0.000 2.403 0.000) 2.403 5.842 ( 0.000 -1.135 -0.000) 1.135 5.934 ( 0.000 3.960 -0.000) 3.960 5.974 ( 0.000 0.079 -0.000) 0.079 6.307 ( 0.000 -3.250 0.000) 3.250 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 20.951 0.000) 20.951 0.950 ( 0.000 23.030 0.000) 23.030 1.606 ( 0.000 27.635 0.000) 27.635 1.795 ( 0.000 -2.668 0.000) 2.668 1.934 ( 0.000 -4.649 0.000) 4.649 2.050 ( 0.000 5.911 0.000) 5.911 2.082 ( 0.000 6.570 0.000) 6.570 2.214 ( 0.000 1.589 0.000) 1.589 2.285 ( 0.000 -10.245 0.000) 10.245 2.306 ( 0.000 -0.464 0.000) 0.464 2.418 ( 0.000 -3.690 0.000) 3.690 2.455 ( 0.000 4.939 0.000) 4.939 2.569 ( 0.000 4.182 0.000) 4.182 2.602 ( 0.000 -0.762 0.000) 0.762 2.718 ( 0.000 -1.730 0.000) 1.730 2.866 ( 0.000 -1.608 0.000) 1.608 2.909 ( 0.000 -0.771 0.000) 0.771 3.175 ( 0.000 -1.549 0.000) 1.549 3.202 ( 0.000 -3.381 0.000) 3.381 3.229 ( 0.000 0.460 0.000) 0.460 3.274 ( 0.000 4.392 0.000) 4.392 3.484 ( 0.000 -12.501 0.000) 12.501 3.534 ( 0.000 -5.514 0.000) 5.514 3.893 ( 0.000 -21.191 0.000) 21.191 4.239 ( 0.000 4.682 0.000) 4.682 4.327 ( 0.000 6.601 0.000) 6.601 4.431 ( 0.000 5.877 0.000) 5.877 4.491 ( 0.000 2.484 0.000) 2.484 4.548 ( 0.000 2.974 0.000) 2.974 4.655 ( 0.000 -7.736 0.000) 7.736 4.854 ( 0.000 3.899 0.000) 3.899 4.905 ( 0.000 -0.211 0.000) 0.211 5.015 ( 0.000 0.643 0.000) 0.643 5.043 ( 0.000 -1.035 0.000) 1.035 5.143 ( 0.000 1.885 0.000) 1.885 5.195 ( 0.000 1.600 0.000) 1.600 5.330 ( 0.000 -0.812 0.000) 0.812 5.366 ( 0.000 -1.177 0.000) 1.177 5.447 ( 0.000 0.656 0.000) 0.656 5.486 ( 0.000 0.974 0.000) 0.974 5.522 ( 0.000 -0.348 0.000) 0.348 5.635 ( 0.000 0.673 0.000) 0.673 5.797 ( 0.000 -1.133 0.000) 1.133 5.858 ( 0.000 -1.238 0.000) 1.238 5.897 ( 0.000 4.305 0.000) 4.305 5.966 ( 0.000 0.539 0.000) 0.539 6.032 ( 0.000 0.738 0.000) 0.738 6.215 ( 0.000 -2.185 0.000) 2.185 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 4.603 18.924 3.850) 19.853 0.982 ( 4.780 20.499 1.990) 21.143 1.655 ( 3.055 18.320 3.042) 18.820 1.819 ( 2.587 0.126 -0.405) 2.622 1.905 ( -4.408 -5.722 1.243) 7.329 2.009 ( -2.919 4.964 0.441) 5.775 2.118 ( 2.953 11.722 -2.431) 12.330 2.221 ( 0.043 2.182 2.170) 3.077 2.240 ( -2.322 -5.729 0.777) 6.230 2.328 ( 0.548 -4.275 -2.825) 5.153 2.421 ( 0.990 -1.911 1.911) 2.878 2.465 ( 0.933 1.955 -2.346) 3.193 2.552 ( -2.277 2.514 1.252) 3.616 2.601 ( 0.017 -0.624 -1.185) 1.339 2.689 ( -1.562 0.020 -1.712) 2.318 2.814 ( -4.644 -2.603 1.099) 5.436 2.922 ( 0.652 1.037 -1.137) 1.671 3.108 ( -2.639 -2.325 0.510) 3.554 3.203 ( 0.658 -4.484 -0.501) 4.560 3.231 ( -0.469 0.347 -0.789) 0.982 3.319 ( 1.775 0.057 -2.076) 2.732 3.527 ( 0.501 -6.621 0.400) 6.652 3.548 ( 3.930 -6.254 1.265) 7.494 3.911 ( 1.762 -18.028 -0.104) 18.114 4.242 ( 0.259 5.180 0.529) 5.213 4.323 ( -0.181 5.114 0.634) 5.156 4.444 ( -3.476 3.008 0.214) 4.601 4.456 ( 2.245 5.558 0.766) 6.043 4.578 ( 2.058 2.585 -2.168) 3.952 4.674 ( 1.809 -7.540 1.412) 7.882 4.853 ( 0.255 4.202 -0.099) 4.211 4.915 ( 0.793 -0.963 -1.306) 1.806 4.984 ( -2.311 1.966 -0.002) 3.034 5.025 ( -2.726 0.126 0.989) 2.902 5.141 ( -0.279 1.550 -1.492) 2.169 5.204 ( 0.905 1.622 -0.055) 1.858 5.325 ( 0.120 -0.686 -0.502) 0.858 5.358 ( -1.378 -2.201 0.206) 2.604 5.432 ( -1.051 2.372 -2.726) 3.764 5.505 ( 1.871 -1.224 0.784) 2.369 5.535 ( 0.574 -1.059 1.757) 2.130 5.599 ( -3.567 0.517 0.005) 3.604 5.800 ( -0.323 -0.543 1.881) 1.985 5.850 ( -0.645 -1.349 1.632) 2.213 5.906 ( 0.907 3.656 0.007) 3.767 5.948 ( -1.461 1.059 -0.108) 1.808 6.026 ( -0.883 1.348 -0.372) 1.654 6.191 ( -1.209 -2.292 -1.937) 3.236 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 8.953 11.560 2.932) 14.912 1.144 ( 10.135 15.243 2.911) 18.535 1.679 ( -1.976 8.246 4.871) 9.779 1.749 ( -10.406 -0.317 2.632) 10.739 1.880 ( 2.587 -2.347 2.222) 4.140 1.993 ( 1.741 2.462 -1.187) 3.240 2.086 ( -6.420 9.035 -3.266) 11.554 2.213 ( -0.622 -4.337 1.261) 4.559 2.270 ( 3.388 2.248 2.700) 4.881 2.304 ( -2.254 -1.578 -3.568) 4.505 2.418 ( -1.886 -2.127 -1.529) 3.228 2.496 ( -2.569 1.295 -1.315) 3.163 2.545 ( 8.134 5.009 0.561) 9.569 2.591 ( -0.596 -0.192 -2.399) 2.479 2.689 ( 0.526 2.035 0.525) 2.167 2.721 ( -3.287 -1.834 -1.500) 4.052 2.925 ( 0.048 1.153 0.258) 1.183 3.116 ( 2.607 -5.258 1.070) 5.966 3.200 ( -1.845 -0.216 -1.842) 2.616 3.224 ( 0.915 -5.374 -1.055) 5.552 3.324 ( -0.503 -2.261 -2.078) 3.112 3.508 ( -1.350 0.551 -0.841) 1.683 3.631 ( 2.808 -7.008 3.897) 8.497 3.944 ( 1.197 -8.606 -0.787) 8.725 4.243 ( -0.577 5.723 0.109) 5.753 4.338 ( 1.689 2.840 1.736) 3.733 4.386 ( -2.207 1.946 -0.448) 2.976 4.506 ( 2.509 4.986 -0.441) 5.599 4.603 ( 0.967 2.484 -1.753) 3.191 4.724 ( 2.817 -5.548 2.256) 6.618 4.855 ( -1.128 1.781 0.440) 2.154 4.919 ( -0.025 -0.309 -1.366) 1.400 4.941 ( -1.041 2.399 0.924) 2.774 4.979 ( -2.194 0.940 0.963) 2.574 5.104 ( -2.644 1.525 -2.964) 4.255 5.220 ( 0.458 1.090 -1.270) 1.735 5.320 ( -2.133 -3.140 -0.329) 3.810 5.342 ( 0.978 -1.642 0.740) 2.050 5.415 ( 0.275 2.475 -2.662) 3.646 5.493 ( -4.214 -0.894 2.368) 4.916 5.532 ( -1.282 -0.210 -1.627) 2.082 5.574 ( 2.187 -2.627 2.539) 4.258 5.781 ( -1.793 0.591 1.150) 2.211 5.841 ( -0.896 -1.728 1.368) 2.379 5.915 ( -0.981 2.851 -0.530) 3.062 5.937 ( 1.148 1.617 1.269) 2.354 5.999 ( -1.353 2.221 0.209) 2.609 6.188 ( 1.160 -3.896 -1.796) 4.444 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 12.164 2.789 0.639) 12.496 1.331 ( 7.827 11.005 1.762) 13.618 1.543 ( -8.656 5.938 2.181) 10.721 1.652 ( -3.151 2.165 3.835) 5.415 1.891 ( -7.771 7.367 -0.982) 10.753 1.950 ( 0.839 -6.524 4.508) 7.974 2.037 ( 0.754 0.986 -1.680) 2.089 2.186 ( -3.986 -6.846 -3.060) 8.492 2.243 ( 0.888 3.157 0.923) 3.406 2.342 ( 1.649 0.075 1.178) 2.028 2.372 ( -1.656 0.206 -1.907) 2.534 2.459 ( -1.402 2.811 -1.651) 3.548 2.566 ( -1.262 -0.035 -3.674) 3.885 2.609 ( -3.012 0.553 2.365) 3.869 2.709 ( 3.284 2.199 1.922) 4.395 2.814 ( 11.612 4.170 -5.925) 13.687 2.931 ( 0.422 0.308 1.069) 1.190 3.157 ( -1.117 -0.973 0.155) 1.489 3.183 ( 2.301 -7.732 -0.888) 8.116 3.198 ( -4.812 -3.087 2.579) 6.272 3.302 ( -0.838 -2.477 -1.097) 2.836 3.503 ( 1.746 6.956 -3.270) 7.882 3.662 ( -0.434 -7.109 4.378) 8.361 3.939 ( -1.210 0.905 -1.091) 1.864 4.223 ( -1.107 4.845 -0.267) 4.977 4.360 ( -0.242 0.022 -0.997) 1.026 4.396 ( 3.239 3.161 3.340) 5.625 4.523 ( -0.760 4.102 -2.978) 5.126 4.617 ( 0.837 2.420 -0.354) 2.585 4.773 ( 0.745 0.787 1.300) 1.692 4.831 ( 0.764 -4.224 2.160) 4.805 4.914 ( -0.865 -2.251 -1.873) 3.053 4.931 ( -1.878 -2.351 1.329) 3.289 4.956 ( 1.015 4.761 0.888) 4.948 5.056 ( -1.488 2.288 -1.916) 3.335 5.202 ( -2.083 -3.477 -1.878) 4.467 5.300 ( 0.631 -1.486 -0.970) 1.883 5.344 ( -0.637 -2.365 0.999) 2.645 5.391 ( -3.310 -1.201 -0.489) 3.555 5.459 ( 1.403 0.872 -0.054) 1.652 5.519 ( -0.166 0.339 0.474) 0.606 5.612 ( 1.190 -2.173 1.332) 2.813 5.748 ( -1.635 1.085 0.114) 1.966 5.823 ( -0.954 -1.657 0.599) 2.004 5.887 ( -1.475 3.910 -0.438) 4.202 5.965 ( 1.142 0.839 1.169) 1.837 5.988 ( -0.031 1.918 0.472) 1.975 6.211 ( 1.170 -5.009 -0.968) 5.234 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -0.000 8.674 0.000) 8.674 1.434 ( 0.000 -6.690 -0.000) 6.690 1.459 ( 0.000 10.342 -0.000) 10.342 1.585 ( -0.000 3.130 0.000) 3.130 1.789 ( 0.000 8.417 -0.000) 8.417 1.989 ( 0.000 -4.484 -0.000) 4.484 2.027 ( 0.000 -0.836 -0.000) 0.836 2.130 ( 0.000 -8.336 0.000) 8.336 2.275 ( 0.000 5.030 0.000) 5.030 2.328 ( 0.000 -1.272 -0.000) 1.272 2.378 ( 0.000 0.921 -0.000) 0.921 2.438 ( -0.000 4.282 -0.000) 4.282 2.543 ( 0.000 -0.485 -0.000) 0.485 2.584 ( 0.000 1.813 0.000) 1.813 2.740 ( 0.000 -0.890 -0.000) 0.890 2.932 ( 0.000 -0.203 0.000) 0.203 3.028 ( -0.000 -3.028 0.000) 3.028 3.050 ( 0.000 6.694 -0.000) 6.694 3.145 ( 0.000 -2.470 -0.000) 2.470 3.216 ( 0.000 -6.739 0.000) 6.739 3.294 ( 0.000 -2.965 0.000) 2.965 3.532 ( -0.000 11.010 -0.000) 11.010 3.651 ( 0.000 -7.468 -0.000) 7.468 3.921 ( 0.000 3.135 0.000) 3.135 4.211 ( 0.000 4.606 0.000) 4.606 4.358 ( 0.000 -0.602 0.000) 0.602 4.458 ( 0.000 7.502 -0.000) 7.502 4.484 ( -0.000 -0.334 -0.000) 0.334 4.624 ( 0.000 3.116 0.000) 3.116 4.773 ( 0.000 0.477 0.000) 0.477 4.870 ( -0.000 -2.983 -0.000) 2.983 4.889 ( 0.000 -3.504 0.000) 3.504 4.911 ( -0.000 -3.424 -0.000) 3.424 4.972 ( 0.000 3.721 -0.000) 3.721 5.041 ( -0.000 2.712 0.000) 2.712 5.168 ( 0.000 -5.139 0.000) 5.139 5.323 ( 0.000 -6.749 0.000) 6.749 5.338 ( 0.000 5.178 0.000) 5.178 5.343 ( 0.000 -4.492 -0.000) 4.492 5.476 ( 0.000 0.114 -0.000) 0.114 5.522 ( 0.000 1.332 0.000) 1.332 5.624 ( 0.000 -1.775 -0.000) 1.775 5.730 ( 0.000 1.192 -0.000) 1.192 5.814 ( 0.000 -1.668 -0.000) 1.668 5.871 ( 0.000 4.548 0.000) 4.548 5.978 ( 0.000 0.401 -0.000) 0.401 5.990 ( 0.000 1.860 -0.000) 1.860 6.222 ( 0.000 -5.362 -0.000) 5.362 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 18.295 0.000) 18.295 1.368 ( 0.000 20.117 0.000) 20.117 1.556 ( 0.000 -13.817 0.000) 13.817 1.713 ( 0.000 -15.054 0.000) 15.054 1.992 ( 0.000 8.064 0.000) 8.064 2.109 ( 0.000 -2.290 0.000) 2.290 2.163 ( 0.000 -2.346 0.000) 2.346 2.163 ( 0.000 -2.820 0.000) 2.820 2.332 ( 0.000 3.568 0.000) 3.568 2.372 ( 0.000 5.718 0.000) 5.718 2.470 ( 0.000 6.245 0.000) 6.245 2.561 ( 0.000 -0.789 0.000) 0.789 2.623 ( 0.000 18.019 0.000) 18.019 2.644 ( 0.000 3.028 0.000) 3.028 2.687 ( 0.000 -1.744 0.000) 1.744 2.857 ( 0.000 0.224 0.000) 0.224 2.943 ( 0.000 5.383 0.000) 5.383 3.041 ( 0.000 -6.554 0.000) 6.554 3.086 ( 0.000 -7.600 0.000) 7.600 3.171 ( 0.000 -18.349 0.000) 18.349 3.323 ( 0.000 5.409 0.000) 5.409 3.375 ( 0.000 1.687 0.000) 1.687 3.460 ( 0.000 -2.169 0.000) 2.169 3.526 ( 0.000 -12.852 0.000) 12.852 4.337 ( 0.000 5.877 0.000) 5.877 4.452 ( 0.000 -4.514 0.000) 4.514 4.458 ( 0.000 5.689 0.000) 5.689 4.528 ( 0.000 -1.691 0.000) 1.691 4.558 ( 0.000 0.757 0.000) 0.757 4.575 ( 0.000 -0.085 0.000) 0.085 4.915 ( 0.000 2.088 0.000) 2.088 4.921 ( 0.000 1.315 0.000) 1.315 5.024 ( 0.000 -0.473 0.000) 0.473 5.027 ( 0.000 0.135 0.000) 0.135 5.177 ( 0.000 1.249 0.000) 1.249 5.199 ( 0.000 -0.892 0.000) 0.892 5.304 ( 0.000 -0.226 0.000) 0.226 5.331 ( 0.000 -2.177 0.000) 2.177 5.474 ( 0.000 1.324 0.000) 1.324 5.490 ( 0.000 -0.400 0.000) 0.400 5.541 ( 0.000 2.318 0.000) 2.318 5.601 ( 0.000 -3.304 0.000) 3.304 5.802 ( 0.000 1.227 0.000) 1.227 5.830 ( 0.000 -1.544 0.000) 1.544 5.972 ( 0.000 1.814 0.000) 1.814 5.977 ( 0.000 0.483 0.000) 0.483 6.069 ( 0.000 3.921 0.000) 3.921 6.155 ( 0.000 -4.081 0.000) 4.081 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 2.460 17.585 2.548) 17.939 1.364 ( 0.370 18.647 1.836) 18.740 1.581 ( 2.267 -13.453 1.922) 13.778 1.687 ( -2.906 -14.486 1.572) 14.858 1.963 ( -2.820 7.771 2.021) 8.511 2.097 ( -1.331 -5.281 -0.114) 5.447 2.169 ( 0.935 2.813 -1.157) 3.182 2.199 ( 2.130 -1.625 2.208) 3.471 2.302 ( -2.392 2.536 1.213) 3.691 2.368 ( -0.793 1.251 -2.961) 3.311 2.443 ( -3.046 5.967 0.206) 6.703 2.549 ( -1.613 -2.188 -0.296) 2.735 2.612 ( -1.395 4.297 -0.679) 4.569 2.676 ( 1.842 8.005 0.565) 8.234 2.680 ( 2.189 6.874 -5.329) 8.969 2.796 ( -3.917 1.385 0.036) 4.155 2.968 ( -2.352 0.881 -1.983) 3.200 2.990 ( 0.121 -1.712 -1.812) 2.496 3.102 ( 1.462 -6.214 -0.896) 6.446 3.179 ( 0.701 -15.042 -2.231) 15.222 3.295 ( -0.667 4.527 2.611) 5.269 3.402 ( 0.250 -5.554 5.802) 8.035 3.522 ( 5.833 1.134 -0.468) 5.960 3.604 ( 6.832 -9.738 -1.488) 11.988 4.344 ( 0.697 5.492 0.726) 5.584 4.405 ( -2.577 1.470 -0.055) 2.967 4.476 ( -1.418 1.072 0.835) 1.965 4.524 ( 1.334 -4.101 1.176) 4.470 4.572 ( 1.649 2.511 -1.139) 3.213 4.608 ( 2.696 -0.365 -1.126) 2.945 4.904 ( -0.867 1.861 -0.391) 2.090 4.925 ( 0.096 0.529 -0.385) 0.661 5.014 ( -0.658 0.157 -0.298) 0.739 5.018 ( -0.974 0.548 0.072) 1.120 5.188 ( -0.134 2.585 -1.428) 2.956 5.213 ( 0.993 -0.382 0.137) 1.073 5.289 ( -0.736 -1.552 0.470) 1.781 5.308 ( -1.965 -2.655 -0.584) 3.354 5.475 ( -0.088 1.853 -0.031) 1.855 5.497 ( 1.117 -0.455 -0.390) 1.267 5.528 ( -1.463 1.059 0.117) 1.810 5.572 ( -2.853 -2.633 -0.756) 3.955 5.803 ( -0.244 0.825 2.189) 2.352 5.825 ( -0.752 -1.264 2.201) 2.648 5.968 ( -0.707 0.970 -0.095) 1.204 5.971 ( -0.043 1.470 -0.272) 1.496 6.060 ( -0.839 3.139 -0.443) 3.279 6.134 ( -1.629 -3.668 -0.826) 4.098 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 1.163 14.713 2.767) 15.017 1.438 ( 6.183 14.487 2.668) 15.976 1.589 ( -3.951 -13.408 2.454) 14.192 1.677 ( 3.920 -9.434 3.083) 10.671 1.887 ( -6.153 7.211 3.988) 10.284 2.046 ( -4.889 -8.323 2.260) 9.914 2.154 ( -2.888 7.843 -2.313) 8.672 2.223 ( -0.594 1.320 0.033) 1.448 2.274 ( -0.893 0.073 0.508) 1.030 2.351 ( 0.890 -3.371 -2.434) 4.252 2.379 ( -1.913 6.966 -2.249) 7.566 2.503 ( -2.199 -2.574 -1.308) 3.630 2.590 ( -0.717 1.767 -1.635) 2.512 2.663 ( -0.485 -4.424 -1.955) 4.861 2.712 ( -2.223 6.878 0.628) 7.255 2.800 ( 4.825 5.908 -3.621) 8.444 2.910 ( -0.928 -0.372 -1.617) 1.901 3.010 ( 0.853 -0.815 -1.419) 1.846 3.132 ( 1.655 -3.534 -1.917) 4.348 3.181 ( 0.078 -6.144 0.394) 6.157 3.312 ( 1.285 3.867 0.660) 4.128 3.431 ( 1.661 -7.026 4.118) 8.311 3.618 ( 4.277 4.256 1.240) 6.160 3.749 ( 7.946 -9.367 -0.156) 12.284 4.342 ( -2.136 3.839 0.081) 4.394 4.376 ( -0.398 0.439 0.314) 0.671 4.442 ( -0.711 4.755 0.158) 4.810 4.563 ( 1.664 -6.509 0.781) 6.763 4.614 ( 2.933 4.426 -0.644) 5.349 4.662 ( 3.198 -0.684 -0.440) 3.299 4.878 ( -1.944 1.293 -0.775) 2.460 4.915 ( -1.282 -1.609 -0.350) 2.087 4.979 ( -2.075 3.308 -0.980) 4.026 5.021 ( 0.620 0.973 0.731) 1.366 5.144 ( -3.020 2.325 -1.651) 4.154 5.196 ( -3.465 -2.866 -0.761) 4.561 5.269 ( -1.120 -0.562 -0.158) 1.263 5.302 ( 0.121 -2.491 -0.107) 2.496 5.462 ( -1.302 1.998 -0.467) 2.430 5.480 ( -3.672 -0.351 1.677) 4.052 5.522 ( -0.379 -0.608 -1.583) 1.737 5.533 ( 2.234 -1.568 0.975) 2.898 5.793 ( -1.257 0.768 1.530) 2.124 5.812 ( -1.047 -1.222 1.639) 2.297 5.959 ( -0.105 1.593 -0.065) 1.598 5.972 ( 0.219 0.800 0.508) 0.973 6.039 ( -1.148 2.870 -0.035) 3.091 6.111 ( -0.414 -4.089 -0.935) 4.215 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 3.631 7.790 0.760) 8.629 1.523 ( -1.273 -5.610 0.195) 5.756 1.561 ( 3.930 9.923 3.114) 11.118 1.758 ( -6.319 0.377 3.169) 7.079 1.783 ( 3.934 -1.666 4.102) 5.923 1.935 ( -4.875 -6.269 4.391) 9.074 2.079 ( -4.073 4.636 -1.647) 6.387 2.138 ( -6.009 0.365 -5.578) 8.207 2.290 ( 1.165 1.872 -0.127) 2.209 2.342 ( -0.851 -1.597 -1.332) 2.247 2.404 ( 2.873 4.855 -0.413) 5.656 2.488 ( 0.738 -1.822 -0.902) 2.163 2.571 ( -1.023 2.347 -0.963) 2.735 2.650 ( -0.691 -0.751 -0.378) 1.088 2.681 ( -0.651 1.813 -0.615) 2.022 2.842 ( 0.561 -9.073 -1.497) 9.213 2.940 ( 3.222 5.145 -3.020) 6.780 3.019 ( 0.611 -3.508 -1.398) 3.826 3.151 ( 0.781 0.003 -0.064) 0.784 3.185 ( -0.083 -2.158 0.645) 2.253 3.325 ( -0.201 5.949 1.054) 6.045 3.473 ( 1.695 -8.026 1.318) 8.309 3.707 ( 4.777 9.506 1.855) 10.799 3.883 ( 5.415 -7.106 0.447) 8.945 4.294 ( -2.372 2.762 0.078) 3.642 4.338 ( -2.645 -1.643 -1.538) 3.473 4.472 ( 2.456 5.482 1.809) 6.274 4.571 ( -0.824 -2.519 -1.475) 3.033 4.670 ( 2.594 3.756 0.071) 4.565 4.736 ( 4.480 -2.790 0.929) 5.358 4.830 ( -2.307 1.465 -0.944) 2.891 4.874 ( -2.348 -3.038 -0.127) 3.842 4.935 ( -2.575 5.239 -1.644) 6.065 5.040 ( 0.929 0.143 0.922) 1.317 5.093 ( -2.708 -0.462 0.432) 2.780 5.122 ( -2.206 0.012 -0.326) 2.229 5.225 ( -2.937 -2.359 -1.561) 4.077 5.276 ( -2.459 -4.710 0.219) 5.318 5.423 ( -1.006 2.448 0.016) 2.647 5.460 ( 0.114 -1.137 -0.145) 1.152 5.538 ( 1.403 1.722 0.408) 2.259 5.575 ( 1.678 -1.903 0.905) 2.694 5.768 ( -1.299 1.136 0.191) 1.736 5.793 ( -1.030 -1.425 0.375) 1.798 5.961 ( 0.109 2.789 -0.129) 2.794 5.980 ( 0.386 0.337 0.818) 0.965 6.023 ( -0.466 2.731 0.406) 2.800 6.108 ( 0.162 -5.338 -0.570) 5.371 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 3.790 -0.000) 3.790 1.532 ( -0.000 -7.146 0.000) 7.146 1.596 ( 0.000 9.226 -0.000) 9.226 1.657 ( 0.000 7.308 -0.000) 7.308 1.840 ( 0.000 -2.639 -0.000) 2.639 1.942 ( 0.000 -9.465 -0.000) 9.465 2.008 ( 0.000 6.057 0.000) 6.057 2.049 ( 0.000 1.124 0.000) 1.124 2.301 ( 0.000 -0.128 -0.000) 0.128 2.331 ( -0.000 -0.853 0.000) 0.853 2.438 ( 0.000 4.548 -0.000) 4.548 2.499 ( 0.000 -0.384 0.000) 0.384 2.556 ( 0.000 3.439 -0.000) 3.439 2.641 ( 0.000 2.946 0.000) 2.946 2.677 ( 0.000 -1.872 -0.000) 1.872 2.845 ( 0.000 -10.959 0.000) 10.959 2.971 ( 0.000 1.512 -0.000) 1.512 3.025 ( -0.000 -3.681 0.000) 3.681 3.163 ( 0.000 0.310 0.000) 0.310 3.180 ( 0.000 -0.201 -0.000) 0.201 3.321 ( 0.000 7.265 -0.000) 7.265 3.491 ( 0.000 -8.994 0.000) 8.994 3.770 ( 0.000 12.085 -0.000) 12.085 3.935 ( 0.000 -3.623 0.000) 3.623 4.271 ( -0.000 1.562 -0.000) 1.562 4.302 ( 0.000 -2.836 0.000) 2.836 4.509 ( 0.000 2.674 0.000) 2.674 4.547 ( -0.000 0.533 -0.000) 0.533 4.699 ( 0.000 4.774 0.000) 4.774 4.801 ( -0.000 -5.278 -0.000) 5.278 4.803 ( 0.000 1.718 0.000) 1.718 4.850 ( 0.000 -2.945 -0.000) 2.945 4.892 ( 0.000 5.773 0.000) 5.773 5.035 ( 0.000 -8.042 -0.000) 8.042 5.067 ( 0.000 5.588 0.000) 5.588 5.121 ( 0.000 5.888 0.000) 5.888 5.183 ( 0.000 -6.682 0.000) 6.682 5.247 ( 0.000 -6.114 -0.000) 6.114 5.418 ( -0.000 3.120 0.000) 3.120 5.462 ( 0.000 -1.553 -0.000) 1.553 5.555 ( 0.000 2.039 -0.000) 2.039 5.593 ( -0.000 -1.759 0.000) 1.759 5.754 ( 0.000 1.343 0.000) 1.343 5.782 ( 0.000 -1.555 -0.000) 1.555 5.961 ( 0.000 3.821 0.000) 3.821 5.986 ( 0.000 0.168 -0.000) 0.168 6.020 ( 0.000 2.277 -0.000) 2.277 6.110 ( 0.000 -5.916 -0.000) 5.916 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 1.691 0.000 20.217) 20.288 0.469 ( -0.973 0.000 22.654) 22.675 0.816 ( 1.702 0.000 39.119) 39.156 1.830 ( -4.536 0.000 -3.446) 5.697 1.891 ( -0.707 0.000 -0.396) 0.811 1.932 ( 4.520 0.000 2.930) 5.387 2.153 ( -3.528 0.000 -5.881) 6.858 2.216 ( 1.070 0.000 1.084) 1.523 2.353 ( 3.178 0.000 2.647) 4.136 2.417 ( 1.001 0.000 -1.331) 1.665 2.491 ( 0.780 0.000 4.805) 4.868 2.569 ( 1.612 0.000 -2.090) 2.639 2.616 ( -0.298 0.000 -0.768) 0.824 2.684 ( -0.585 0.000 -4.028) 4.070 2.792 ( 3.434 0.000 -3.030) 4.580 2.799 ( -1.906 0.000 5.510) 5.831 2.971 ( 1.716 0.000 1.014) 1.993 2.974 ( 1.126 0.000 1.477) 1.857 3.039 ( 0.343 0.000 2.213) 2.240 3.208 ( 0.606 0.000 -4.855) 4.893 3.397 ( -5.289 0.000 1.469) 5.489 3.674 ( 2.888 0.000 -3.334) 4.411 3.859 ( -1.604 0.000 -5.775) 5.993 4.060 ( -0.979 0.000 -0.812) 1.272 4.153 ( 0.594 0.000 3.012) 3.070 4.260 ( -0.769 0.000 -0.029) 0.769 4.358 ( 6.246 0.000 -3.206) 7.021 4.523 ( -8.640 0.000 2.276) 8.935 4.536 ( -0.508 0.000 -0.119) 0.522 4.668 ( 2.568 0.000 4.483) 5.167 4.806 ( 3.023 0.000 -4.454) 5.383 4.914 ( -1.204 0.000 -1.437) 1.875 4.930 ( 1.071 0.000 0.524) 1.192 5.005 ( -0.313 0.000 0.532) 0.617 5.057 ( -0.768 0.000 0.710) 1.046 5.199 ( -4.420 0.000 -1.720) 4.743 5.279 ( -1.830 0.000 -0.834) 2.011 5.351 ( -4.461 0.000 1.180) 4.614 5.372 ( 2.163 0.000 0.825) 2.315 5.548 ( -0.475 0.000 -2.491) 2.536 5.579 ( 0.497 0.000 1.208) 1.306 5.710 ( 0.606 0.000 1.831) 1.929 5.815 ( 0.261 0.000 0.047) 0.265 5.829 ( 9.348 0.000 0.579) 9.366 5.881 ( 0.783 0.000 -1.084) 1.338 5.915 ( 1.154 0.000 1.964) 2.278 5.937 ( -0.209 0.000 -1.448) 1.463 6.032 ( -7.138 0.000 0.927) 7.198 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 11.480 0.000 13.954) 18.070 0.668 ( 14.416 0.000 16.143) 21.643 1.135 ( 19.829 0.000 30.749) 36.588 1.696 ( -8.264 0.000 -3.928) 9.150 1.888 ( -0.252 0.000 0.329) 0.414 1.982 ( 0.007 0.000 2.343) 2.343 2.067 ( -3.597 0.000 -5.261) 6.373 2.229 ( 0.192 0.000 3.793) 3.798 2.334 ( -2.499 0.000 3.626) 4.404 2.419 ( -0.408 0.000 -0.960) 1.043 2.477 ( -1.832 0.000 -1.726) 2.517 2.558 ( -5.672 0.000 -2.182) 6.077 2.628 ( 2.960 0.000 4.934) 5.753 2.690 ( 1.891 0.000 -4.353) 4.746 2.735 ( -5.684 0.000 6.463) 8.607 2.855 ( 2.281 0.000 -2.301) 3.240 2.951 ( -2.887 0.000 2.960) 4.135 3.017 ( 2.154 0.000 -0.279) 2.172 3.122 ( 5.073 0.000 -2.947) 5.866 3.222 ( 0.196 0.000 -5.220) 5.224 3.317 ( -1.438 0.000 -1.013) 1.758 3.665 ( -3.410 0.000 -1.324) 3.659 3.845 ( 1.740 0.000 -7.493) 7.693 4.012 ( -3.501 0.000 -2.604) 4.364 4.169 ( 0.585 0.000 2.346) 2.418 4.250 ( -0.261 0.000 -0.479) 0.545 4.330 ( -7.613 0.000 5.559) 9.427 4.484 ( 3.643 0.000 -1.700) 4.020 4.556 ( 2.696 0.000 -1.427) 3.050 4.688 ( -0.276 0.000 5.152) 5.160 4.867 ( 3.958 0.000 -3.288) 5.145 4.930 ( -5.083 0.000 1.058) 5.192 4.954 ( 1.075 0.000 1.373) 1.744 4.971 ( 5.242 0.000 -1.700) 5.511 5.037 ( -1.521 0.000 -0.757) 1.699 5.110 ( -3.487 0.000 -0.745) 3.566 5.249 ( -0.735 0.000 0.748) 1.048 5.355 ( 1.983 0.000 3.964) 4.432 5.398 ( -0.640 0.000 -1.117) 1.287 5.519 ( -0.833 0.000 -1.705) 1.898 5.588 ( 0.016 0.000 1.555) 1.555 5.742 ( 1.163 0.000 1.514) 1.909 5.819 ( 0.518 0.000 0.733) 0.898 5.846 ( -3.002 0.000 1.881) 3.542 5.900 ( 1.388 0.000 -0.396) 1.443 5.924 ( -2.312 0.000 -0.472) 2.359 5.930 ( -0.140 0.000 2.335) 2.340 6.071 ( 7.221 0.000 -6.716) 9.861 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 16.126 0.000 7.052) 17.600 0.993 ( 15.427 0.000 10.024) 18.398 1.518 ( -9.197 0.000 -3.201) 9.738 1.599 ( 21.758 0.000 21.018) 30.252 1.843 ( -5.386 0.000 3.166) 6.248 1.940 ( -4.552 0.000 1.570) 4.815 2.026 ( 0.789 0.000 -6.915) 6.960 2.252 ( 0.835 0.000 6.062) 6.119 2.306 ( -1.085 0.000 4.322) 4.456 2.393 ( -3.305 0.000 -0.097) 3.306 2.422 ( -5.219 0.000 -2.568) 5.817 2.430 ( -2.236 0.000 -4.252) 4.804 2.626 ( -7.187 0.000 6.553) 9.726 2.695 ( 2.449 0.000 7.488) 7.878 2.723 ( 2.022 0.000 -2.989) 3.608 2.797 ( -6.558 0.000 -0.016) 6.558 2.955 ( 1.817 0.000 0.523) 1.891 3.068 ( 4.272 0.000 -4.194) 5.986 3.179 ( 1.189 0.000 -1.900) 2.241 3.193 ( -0.649 0.000 -4.447) 4.494 3.338 ( 2.388 0.000 -2.125) 3.197 3.545 ( -8.500 0.000 -0.895) 8.547 3.883 ( 3.312 0.000 -7.211) 7.935 3.915 ( -5.787 0.000 -3.666) 6.851 4.184 ( -0.487 0.000 0.163) 0.514 4.224 ( -3.740 0.000 8.085) 8.908 4.246 ( -0.123 0.000 0.026) 0.126 4.530 ( 1.453 0.000 -0.399) 1.507 4.631 ( 5.599 0.000 -3.721) 6.723 4.695 ( -0.616 0.000 5.038) 5.075 4.861 ( -2.190 0.000 1.454) 2.629 4.918 ( 1.177 0.000 -2.086) 2.395 4.973 ( 0.802 0.000 -2.761) 2.875 5.013 ( 0.241 0.000 0.860) 0.893 5.060 ( 3.873 0.000 -1.223) 4.061 5.072 ( -1.004 0.000 1.380) 1.706 5.245 ( 0.529 0.000 -0.799) 0.959 5.349 ( -3.169 0.000 -2.358) 3.950 5.402 ( 1.707 0.000 3.461) 3.859 5.515 ( 0.150 0.000 -0.435) 0.460 5.584 ( -0.759 0.000 1.679) 1.843 5.741 ( -1.204 0.000 0.433) 1.280 5.805 ( -1.645 0.000 1.868) 2.489 5.845 ( 1.458 0.000 1.437) 2.047 5.866 ( -3.439 0.000 -0.467) 3.470 5.919 ( -1.406 0.000 1.889) 2.355 5.930 ( 1.606 0.000 -0.253) 1.626 6.177 ( 5.449 0.000 -6.844) 8.748 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 14.281 0.000 4.361) 14.933 1.249 ( 7.629 0.000 5.746) 9.551 1.356 ( -5.956 0.000 0.275) 5.962 1.703 ( -8.281 0.000 3.932) 9.167 1.851 ( -3.548 0.000 -0.392) 3.570 1.989 ( 6.089 0.000 1.644) 6.307 2.063 ( 10.593 0.000 6.562) 12.461 2.230 ( -3.290 0.000 -3.493) 4.799 2.320 ( 1.907 0.000 2.939) 3.503 2.335 ( -4.617 0.000 6.740) 8.170 2.384 ( -1.092 0.000 -4.741) 4.866 2.391 ( 2.242 0.000 6.387) 6.769 2.508 ( -4.948 0.000 2.509) 5.548 2.677 ( -5.415 0.000 1.160) 5.538 2.739 ( 0.176 0.000 6.934) 6.936 2.746 ( 0.487 0.000 -0.397) 0.628 2.973 ( 0.117 0.000 -2.503) 2.505 3.109 ( -6.234 0.000 -5.121) 8.068 3.184 ( 5.915 0.000 -2.540) 6.437 3.194 ( 1.401 0.000 -3.435) 3.710 3.382 ( 2.618 0.000 -0.801) 2.738 3.394 ( -4.881 0.000 -1.990) 5.271 3.792 ( -5.853 0.000 -2.583) 6.398 3.926 ( 2.440 0.000 -5.645) 6.150 4.130 ( -3.191 0.000 1.670) 3.601 4.236 ( 1.116 0.000 6.159) 6.260 4.245 ( 0.030 0.000 0.788) 0.789 4.552 ( 1.071 0.000 0.641) 1.249 4.663 ( -3.784 0.000 3.983) 5.494 4.736 ( 5.777 0.000 -5.616) 8.057 4.852 ( 0.529 0.000 0.995) 1.127 4.914 ( -0.365 0.000 -2.434) 2.461 4.966 ( -0.881 0.000 -1.674) 1.892 5.025 ( -0.297 0.000 -2.943) 2.958 5.084 ( 1.805 0.000 3.667) 4.087 5.104 ( 0.948 0.000 -0.306) 0.996 5.272 ( 2.395 0.000 -1.541) 2.848 5.295 ( -1.652 0.000 -1.204) 2.044 5.430 ( 0.748 0.000 1.556) 1.726 5.517 ( 0.121 0.000 0.239) 0.267 5.565 ( -1.696 0.000 1.638) 2.358 5.714 ( -1.424 0.000 0.325) 1.460 5.787 ( -1.335 0.000 1.840) 2.273 5.805 ( -2.011 0.000 -0.475) 2.066 5.868 ( 0.604 0.000 0.896) 1.081 5.889 ( -1.988 0.000 1.374) 2.416 5.952 ( 0.721 0.000 -1.227) 1.423 6.251 ( 3.677 0.000 -5.590) 6.691 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -2.607 0.000 0.488) 2.652 1.324 ( -4.529 0.000 1.380) 4.734 1.368 ( -0.065 0.000 4.471) 4.471 1.639 ( 4.585 0.000 8.207) 9.401 1.836 ( 1.834 0.000 -1.837) 2.595 1.925 ( -7.319 0.000 -4.044) 8.363 2.152 ( -5.418 0.000 -1.470) 5.614 2.249 ( -2.257 0.000 5.837) 6.258 2.281 ( 3.793 0.000 5.721) 6.864 2.341 ( 1.056 0.000 1.488) 1.824 2.455 ( 7.954 0.000 -0.899) 8.004 2.458 ( 0.845 0.000 2.474) 2.614 2.516 ( 6.084 0.000 7.563) 9.706 2.609 ( -1.907 0.000 1.267) 2.289 2.648 ( -12.175 0.000 3.582) 12.691 2.759 ( 0.754 0.000 0.225) 0.787 2.951 ( -1.584 0.000 -4.156) 4.448 2.980 ( -1.632 0.000 -1.152) 1.998 3.217 ( 1.379 0.000 -2.948) 3.255 3.265 ( 0.524 0.000 -5.551) 5.576 3.387 ( 4.539 0.000 -2.043) 4.978 3.433 ( 2.587 0.000 1.451) 2.966 3.714 ( -0.742 0.000 -2.264) 2.382 3.949 ( 1.146 0.000 -4.257) 4.408 4.086 ( -1.808 0.000 1.549) 2.381 4.252 ( 0.479 0.000 1.316) 1.401 4.273 ( 1.167 0.000 6.872) 6.971 4.567 ( -1.833 0.000 1.423) 2.320 4.594 ( -1.346 0.000 0.985) 1.668 4.802 ( 1.933 0.000 -6.679) 6.953 4.862 ( -0.093 0.000 1.000) 1.004 4.895 ( -1.497 0.000 -4.175) 4.435 4.949 ( -0.034 0.000 -0.677) 0.678 5.001 ( -0.945 0.000 -2.051) 2.258 5.103 ( -0.620 0.000 -0.868) 1.066 5.121 ( 0.860 0.000 2.977) 3.099 5.295 ( 1.803 0.000 0.242) 1.819 5.311 ( 1.430 0.000 0.241) 1.450 5.446 ( 1.101 0.000 -1.400) 1.781 5.520 ( -0.019 0.000 0.912) 0.912 5.524 ( -2.954 0.000 1.912) 3.519 5.699 ( -0.011 0.000 0.408) 0.408 5.757 ( -0.986 0.000 0.708) 1.214 5.803 ( 0.787 0.000 0.872) 1.175 5.855 ( -1.582 0.000 0.287) 1.608 5.872 ( -0.226 0.000 0.251) 0.337 5.947 ( -0.919 0.000 -2.301) 2.477 6.293 ( 1.774 0.000 -4.388) 4.733 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -15.591 0.000 2.114) 15.734 1.174 ( -7.430 0.000 2.709) 7.909 1.385 ( 5.120 0.000 0.873) 5.194 1.702 ( -16.188 0.000 2.473) 16.376 1.817 ( 8.839 0.000 8.495) 12.260 1.869 ( 0.969 0.000 0.262) 1.004 2.066 ( -1.459 0.000 0.029) 1.459 2.256 ( -5.057 0.000 -0.354) 5.069 2.273 ( 2.346 0.000 2.265) 3.261 2.384 ( -10.156 0.000 -3.341) 10.691 2.412 ( 2.893 0.000 9.269) 9.710 2.505 ( 3.231 0.000 1.069) 3.403 2.563 ( 2.251 0.000 -1.001) 2.464 2.612 ( 2.579 0.000 0.832) 2.710 2.661 ( 6.297 0.000 8.866) 10.875 2.771 ( 0.328 0.000 0.698) 0.771 2.900 ( -2.743 0.000 -4.572) 5.332 2.996 ( 0.277 0.000 -4.804) 4.812 3.231 ( 0.810 0.000 -2.866) 2.978 3.267 ( 3.470 0.000 -4.033) 5.321 3.441 ( 0.246 0.000 -0.929) 0.961 3.480 ( 1.570 0.000 3.393) 3.739 3.788 ( 8.645 0.000 -4.679) 9.830 3.955 ( 0.343 0.000 -3.318) 3.335 4.067 ( -0.485 0.000 1.535) 1.610 4.266 ( 0.560 0.000 1.480) 1.582 4.291 ( -1.561 0.000 6.870) 7.045 4.511 ( -1.559 0.000 1.870) 2.435 4.622 ( 2.362 0.000 -0.398) 2.395 4.776 ( -3.117 0.000 -5.496) 6.318 4.841 ( -2.417 0.000 -5.206) 5.740 4.851 ( -1.105 0.000 1.357) 1.750 4.939 ( -1.026 0.000 -2.144) 2.377 5.016 ( 2.680 0.000 -0.639) 2.755 5.085 ( -0.852 0.000 -1.419) 1.655 5.130 ( -0.364 0.000 4.198) 4.214 5.320 ( -0.623 0.000 1.074) 1.242 5.354 ( 3.979 0.000 0.140) 3.982 5.442 ( -2.078 0.000 -1.067) 2.335 5.494 ( 0.547 0.000 1.531) 1.626 5.513 ( -1.235 0.000 1.134) 1.677 5.719 ( 1.882 0.000 0.722) 2.015 5.751 ( -0.269 0.000 0.425) 0.503 5.832 ( -0.859 0.000 -0.690) 1.102 5.833 ( 2.265 0.000 0.709) 2.374 5.865 ( -0.474 0.000 0.036) 0.475 5.910 ( -2.083 0.000 -3.398) 3.985 6.301 ( -0.028 0.000 -3.465) 3.465 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -18.079 0.000 3.313) 18.380 0.940 ( -16.765 0.000 8.003) 18.577 1.335 ( -22.973 0.000 14.333) 27.077 1.571 ( 12.395 0.000 -1.383) 12.472 1.879 ( 0.508 0.000 0.323) 0.602 1.951 ( 2.094 0.000 5.947) 6.304 2.098 ( 3.759 0.000 -0.594) 3.805 2.137 ( -3.665 0.000 4.406) 5.731 2.280 ( -2.189 0.000 -6.921) 7.259 2.326 ( 2.830 0.000 0.605) 2.894 2.466 ( 0.709 0.000 8.374) 8.404 2.553 ( 1.881 0.000 0.113) 1.885 2.580 ( 0.453 0.000 -2.279) 2.324 2.709 ( 5.171 0.000 5.796) 7.767 2.767 ( -1.145 0.000 0.032) 1.145 2.780 ( 5.081 0.000 2.512) 5.668 2.836 ( -2.463 0.000 -4.096) 4.779 2.950 ( -2.116 0.000 -5.223) 5.635 3.236 ( 0.339 0.000 -2.979) 2.998 3.323 ( -1.829 0.000 -2.335) 2.966 3.457 ( 5.631 0.000 -6.404) 8.528 3.500 ( -0.454 0.000 4.338) 4.362 3.947 ( -0.624 0.000 -2.917) 2.983 3.955 ( 7.733 0.000 -3.415) 8.453 4.089 ( 3.561 0.000 0.800) 3.649 4.238 ( -4.429 0.000 3.863) 5.877 4.276 ( 0.059 0.000 1.347) 1.348 4.528 ( 1.756 0.000 5.389) 5.668 4.661 ( 1.032 0.000 -0.504) 1.149 4.677 ( -5.651 0.000 -2.461) 6.163 4.796 ( -1.057 0.000 -6.213) 6.302 4.850 ( 1.692 0.000 1.433) 2.217 4.918 ( -0.389 0.000 -2.737) 2.765 5.063 ( 1.402 0.000 0.149) 1.410 5.064 ( -1.306 0.000 -2.508) 2.828 5.146 ( 1.914 0.000 4.584) 4.967 5.294 ( -1.840 0.000 0.616) 1.941 5.410 ( -0.829 0.000 3.132) 3.240 5.436 ( 4.329 0.000 0.070) 4.330 5.470 ( -3.327 0.000 -0.138) 3.330 5.521 ( 1.601 0.000 0.732) 1.760 5.738 ( -1.277 0.000 0.360) 1.327 5.763 ( 2.148 0.000 1.268) 2.494 5.806 ( -2.459 0.000 -0.653) 2.544 5.852 ( -0.097 0.000 -1.316) 1.319 5.880 ( 0.064 0.000 -2.446) 2.447 5.885 ( 2.795 0.000 -0.059) 2.795 6.278 ( -1.702 0.000 -3.524) 3.914 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -13.260 0.000 10.993) 17.224 0.628 ( -16.847 0.000 15.260) 22.731 0.952 ( -20.002 0.000 29.299) 35.476 1.789 ( 9.661 0.000 -0.122) 9.662 1.885 ( -0.417 0.000 -0.738) 0.848 1.925 ( -2.798 0.000 0.507) 2.843 2.172 ( 3.472 0.000 -0.096) 3.473 2.178 ( 3.917 0.000 7.648) 8.593 2.236 ( -0.174 0.000 -3.946) 3.950 2.382 ( 2.823 0.000 -0.832) 2.943 2.480 ( -0.617 0.000 6.783) 6.811 2.576 ( -0.265 0.000 -3.274) 3.285 2.591 ( 2.262 0.000 -0.943) 2.451 2.724 ( -2.533 0.000 -2.706) 3.707 2.764 ( 0.085 0.000 1.302) 1.305 2.802 ( 0.050 0.000 2.733) 2.734 2.899 ( 5.967 0.000 -0.735) 6.012 2.939 ( 1.532 0.000 -1.264) 1.986 3.185 ( -10.313 0.000 -5.872) 11.867 3.226 ( -0.737 0.000 -3.651) 3.724 3.475 ( -3.142 0.000 3.751) 4.893 3.583 ( 7.107 0.000 -5.647) 9.077 3.912 ( -2.302 0.000 -3.798) 4.441 4.037 ( 2.578 0.000 1.415) 2.941 4.167 ( -3.046 0.000 4.331) 5.295 4.220 ( 8.508 0.000 -4.362) 9.561 4.274 ( -0.566 0.000 0.920) 1.080 4.578 ( -3.857 0.000 -0.595) 3.902 4.584 ( 2.713 0.000 7.451) 7.930 4.639 ( -3.033 0.000 0.170) 3.038 4.779 ( 0.808 0.000 -5.739) 5.796 4.915 ( 0.543 0.000 -1.494) 1.590 4.932 ( 5.699 0.000 0.866) 5.764 5.003 ( -4.547 0.000 -4.990) 6.751 5.068 ( -0.560 0.000 1.407) 1.515 5.213 ( 3.025 0.000 1.892) 3.568 5.281 ( 0.404 0.000 0.584) 0.710 5.388 ( -4.124 0.000 -0.312) 4.136 5.421 ( 0.371 0.000 1.635) 1.676 5.516 ( 3.678 0.000 -1.176) 3.861 5.556 ( 1.829 0.000 1.873) 2.618 5.711 ( -0.629 0.000 3.341) 3.400 5.739 ( -3.279 0.000 0.213) 3.286 5.801 ( 1.245 0.000 0.075) 1.248 5.867 ( 1.230 0.000 -0.937) 1.546 5.888 ( 1.017 0.000 -0.206) 1.037 5.928 ( 1.611 0.000 -0.855) 1.823 6.203 ( -6.133 0.000 -5.545) 8.268 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 2.844 17.974 12.086) 21.845 0.660 ( 1.368 15.181 16.437) 22.417 1.160 ( -0.275 29.312 24.667) 38.311 1.831 ( -2.332 0.316 -3.122) 3.910 1.918 ( 1.190 1.749 1.870) 2.824 1.967 ( 0.897 4.079 1.173) 4.338 2.138 ( -2.130 -3.132 -0.720) 3.855 2.177 ( 0.436 -1.764 -2.841) 3.372 2.278 ( 2.598 -4.007 2.602) 5.438 2.409 ( 0.264 0.337 -0.577) 0.718 2.472 ( -0.736 -6.204 -0.723) 6.289 2.510 ( 0.834 -6.252 -2.025) 6.625 2.557 ( 1.798 0.536 1.687) 2.523 2.637 ( -0.074 -1.419 1.255) 1.896 2.780 ( -3.302 -2.204 3.820) 5.509 2.874 ( -0.530 1.645 -1.035) 2.014 2.944 ( 1.751 1.045 0.969) 2.258 3.030 ( 4.103 5.147 -2.364) 6.994 3.151 ( -0.351 7.261 2.561) 7.707 3.191 ( -0.789 -2.312 -5.109) 5.663 3.362 ( -3.895 -3.092 1.764) 5.276 3.624 ( 1.568 -5.064 -2.716) 5.957 3.711 ( -1.524 -10.950 -2.189) 11.270 4.073 ( -0.419 -0.019 -2.860) 2.891 4.233 ( -0.194 5.592 2.782) 6.249 4.263 ( 1.231 -0.167 -0.193) 1.257 4.339 ( 3.930 -0.502 -1.798) 4.351 4.488 ( -5.517 1.177 2.707) 6.257 4.552 ( 0.106 -2.238 5.536) 5.973 4.726 ( 1.316 3.463 -1.859) 4.145 4.809 ( 2.104 -3.847 -0.585) 4.424 4.947 ( -0.298 4.047 -3.295) 5.227 4.968 ( -2.699 1.166 0.899) 3.074 5.036 ( 0.253 1.858 -2.576) 3.186 5.061 ( 1.072 2.266 0.795) 2.629 5.189 ( -2.838 -0.181 -0.024) 2.844 5.300 ( -1.308 1.926 -1.012) 2.539 5.363 ( 1.734 -0.631 -0.645) 1.955 5.376 ( -3.172 1.432 -0.138) 3.483 5.535 ( 0.423 -2.176 -1.093) 2.472 5.563 ( 1.855 -2.027 1.059) 2.945 5.603 ( 1.122 -0.690 3.728) 3.954 5.808 ( 2.077 -1.224 -1.205) 2.695 5.836 ( 0.481 0.157 -2.178) 2.237 5.899 ( 1.147 -0.486 2.025) 2.377 5.943 ( 0.868 0.897 -1.232) 1.754 6.014 ( 1.882 2.178 -1.225) 3.128 6.085 ( -5.562 5.419 -5.538) 9.537 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 7.280 14.311 10.554) 19.214 0.807 ( 10.349 12.484 13.835) 21.315 1.374 ( 14.992 21.650 22.177) 34.428 1.743 ( -6.325 4.348 -3.727) 8.532 1.922 ( -0.229 3.516 0.851) 3.624 1.984 ( -0.832 0.414 2.068) 2.267 2.075 ( -2.812 0.093 -3.520) 4.506 2.181 ( 0.294 -3.797 2.081) 4.339 2.306 ( -0.210 -2.328 1.902) 3.014 2.380 ( -2.358 -3.943 -1.109) 4.727 2.464 ( -0.302 -3.623 -2.510) 4.417 2.513 ( -1.054 -2.391 -2.218) 3.428 2.616 ( 3.587 -1.187 0.065) 3.779 2.635 ( -0.383 -2.791 2.463) 3.741 2.692 ( -5.750 -2.909 5.275) 8.327 2.852 ( -2.307 -1.079 -0.696) 2.640 2.949 ( -1.113 0.915 3.210) 3.518 3.085 ( 2.127 4.775 -2.138) 5.647 3.165 ( 1.262 3.279 0.932) 3.635 3.197 ( 0.977 -2.341 -5.549) 6.102 3.306 ( -1.225 -1.090 -0.588) 1.742 3.611 ( -2.473 -4.698 -1.219) 5.448 3.717 ( 3.000 -9.193 -3.988) 10.461 4.040 ( -2.755 1.077 -2.991) 4.206 4.241 ( 0.542 4.902 1.532) 5.164 4.279 ( 0.392 1.477 0.551) 1.624 4.341 ( -4.696 0.113 3.267) 5.722 4.454 ( 3.002 3.121 -3.124) 5.339 4.578 ( 1.201 -5.269 6.055) 8.116 4.725 ( -0.431 6.928 -0.732) 6.980 4.850 ( 1.438 -6.211 1.039) 6.459 4.927 ( -0.406 1.534 -1.707) 2.331 4.945 ( 0.341 1.266 1.009) 1.655 5.019 ( -1.355 3.647 -3.030) 4.931 5.056 ( -1.270 0.199 0.340) 1.329 5.134 ( -1.755 3.078 -1.708) 3.934 5.282 ( -0.295 2.927 -1.217) 3.184 5.371 ( 0.564 -0.526 1.831) 1.987 5.378 ( 0.105 -0.207 -0.002) 0.232 5.525 ( -0.717 -0.730 -2.828) 3.008 5.573 ( -0.343 -0.727 1.203) 1.447 5.655 ( 2.466 -4.839 3.586) 6.508 5.812 ( -1.118 1.028 -0.213) 1.534 5.867 ( 2.520 -1.020 -1.445) 3.078 5.917 ( 0.020 -0.387 2.827) 2.853 5.929 ( -2.203 0.425 -0.369) 2.274 5.969 ( -2.973 4.193 0.272) 5.147 6.085 ( 4.247 1.203 -6.763) 8.076 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 12.935 7.218 5.895) 15.942 1.065 ( 12.728 7.526 10.248) 17.991 1.588 ( -8.512 6.907 -2.998) 11.364 1.713 ( 13.287 9.385 16.017) 22.829 1.880 ( -5.193 3.452 2.228) 6.622 1.931 ( -3.549 -0.424 0.686) 3.640 2.065 ( 2.522 3.905 -4.236) 6.289 2.208 ( 1.535 -3.733 5.084) 6.492 2.296 ( -1.043 -1.232 1.312) 2.080 2.325 ( -2.348 -5.228 -0.091) 5.732 2.417 ( -4.405 0.811 -2.178) 4.980 2.474 ( -0.541 0.602 -3.691) 3.778 2.585 ( -6.405 -3.036 5.130) 8.750 2.656 ( 2.350 -5.364 0.260) 5.862 2.696 ( 2.986 -0.878 3.308) 4.542 2.763 ( -5.807 -1.558 1.414) 6.177 2.945 ( -0.006 0.631 1.980) 2.078 3.120 ( 1.980 2.737 -4.667) 5.761 3.178 ( 0.223 0.753 -0.629) 1.006 3.212 ( 2.619 -0.450 -4.231) 4.996 3.309 ( 1.088 -2.715 -2.159) 3.635 3.524 ( -6.549 -1.050 0.548) 6.655 3.788 ( 4.542 -6.418 -3.816) 8.739 3.948 ( -6.068 1.863 -3.275) 7.143 4.232 ( -4.100 1.982 4.521) 6.417 4.261 ( 1.113 4.875 -0.694) 5.048 4.316 ( 0.488 4.878 1.553) 5.142 4.499 ( 2.050 0.613 -1.667) 2.713 4.616 ( 1.198 -6.187 5.165) 8.148 4.733 ( 1.447 6.367 -1.788) 6.770 4.850 ( -0.625 -0.253 1.356) 1.514 4.935 ( -0.191 -2.255 -0.261) 2.278 4.965 ( 1.439 1.287 -0.658) 2.040 5.001 ( 0.803 -1.941 -0.959) 2.309 5.024 ( -1.905 -0.834 0.447) 2.127 5.123 ( 0.566 3.746 -2.057) 4.311 5.284 ( 0.885 3.437 -1.980) 4.064 5.336 ( -2.337 -1.569 -2.322) 3.649 5.408 ( 0.962 0.282 3.250) 3.401 5.503 ( -0.904 -1.543 -1.648) 2.432 5.568 ( -0.568 -1.329 2.109) 2.557 5.693 ( 0.962 -4.569 2.013) 5.085 5.779 ( -2.259 1.027 0.468) 2.525 5.868 ( -2.776 0.355 -0.517) 2.846 5.909 ( -1.299 -0.718 2.187) 2.643 5.912 ( 0.927 1.901 -0.316) 2.139 5.947 ( 0.337 2.552 0.190) 2.581 6.158 ( 4.548 -1.831 -6.330) 8.007 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 12.214 2.918 2.433) 12.791 1.293 ( 8.108 4.429 6.653) 11.385 1.431 ( -6.053 6.883 0.316) 9.171 1.734 ( -8.326 2.129 2.321) 8.902 1.799 ( -3.419 -2.193 3.841) 5.591 1.992 ( 5.297 0.196 1.865) 5.619 2.072 ( -3.140 0.204 -2.576) 4.067 2.240 ( 0.554 -1.328 2.202) 2.630 2.307 ( 2.271 -2.675 3.815) 5.183 2.338 ( 1.114 0.203 1.632) 1.987 2.351 ( 1.149 1.584 3.094) 3.661 2.448 ( -3.769 2.688 -0.524) 4.659 2.488 ( -1.515 -2.517 0.310) 2.954 2.628 ( -4.899 -1.383 2.301) 5.587 2.737 ( 4.318 -2.008 -2.854) 5.552 2.772 ( 2.276 2.454 7.548) 8.257 2.939 ( -0.842 -1.143 -1.473) 2.046 3.118 ( -1.371 -0.024 -4.479) 4.684 3.221 ( 2.937 2.059 -1.286) 3.810 3.239 ( 0.753 2.933 -4.580) 5.491 3.325 ( 0.511 -3.970 -0.853) 4.093 3.398 ( -4.140 0.496 1.006) 4.289 3.817 ( -6.288 1.296 -1.751) 6.655 3.855 ( 2.902 -4.182 -3.335) 6.086 4.179 ( -2.235 3.860 3.224) 5.503 4.284 ( 1.261 3.875 0.531) 4.109 4.323 ( -0.244 6.729 1.871) 6.989 4.531 ( 1.483 -0.879 0.514) 1.799 4.625 ( -1.573 -3.161 3.226) 4.782 4.764 ( 2.124 0.861 -2.399) 3.318 4.853 ( 0.565 2.302 -1.090) 2.609 4.922 ( -0.278 -0.238 -1.762) 1.800 4.970 ( -0.780 -1.501 -0.088) 1.694 4.986 ( -1.744 -1.859 -0.534) 2.604 5.047 ( 2.449 -2.936 3.265) 5.028 5.137 ( 1.636 2.386 -3.494) 4.536 5.273 ( -1.737 0.621 -0.910) 2.057 5.326 ( 2.045 1.829 -2.598) 3.778 5.417 ( -0.354 -1.231 1.598) 2.048 5.491 ( -0.166 -2.604 -0.040) 2.609 5.559 ( -1.006 -0.454 2.283) 2.536 5.707 ( 0.255 -3.511 1.127) 3.696 5.735 ( -2.300 0.050 1.112) 2.555 5.817 ( -2.131 1.503 -0.637) 2.684 5.875 ( -2.008 -1.115 1.243) 2.612 5.928 ( 0.438 3.181 -0.200) 3.217 5.958 ( 0.393 0.699 -0.921) 1.221 6.223 ( 3.438 -2.734 -5.286) 6.872 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -2.870 5.033 0.553) 5.820 1.338 ( -1.421 3.306 2.048) 4.141 1.455 ( -2.356 6.621 1.521) 7.190 1.644 ( 3.662 -2.585 6.371) 7.790 1.765 ( -2.114 -3.193 3.173) 4.973 1.948 ( -4.667 1.144 -4.432) 6.537 2.067 ( 1.125 -3.670 0.073) 3.839 2.202 ( -2.413 -1.243 1.293) 3.006 2.334 ( -1.774 -1.739 1.025) 2.687 2.374 ( 2.627 2.317 5.038) 6.136 2.411 ( 1.258 -3.423 4.792) 6.022 2.428 ( 2.361 -1.514 0.274) 2.818 2.518 ( 3.605 -0.804 -0.045) 3.694 2.573 ( -1.115 1.369 1.745) 2.482 2.737 ( -3.802 2.658 1.495) 4.874 2.872 ( 2.874 8.411 1.435) 9.004 2.916 ( -0.225 -0.075 -1.716) 1.733 3.028 ( -4.592 3.486 -0.457) 5.783 3.197 ( -0.466 -1.807 -2.045) 2.768 3.265 ( 0.356 -0.899 -5.397) 5.482 3.381 ( 5.459 0.535 -1.302) 5.638 3.401 ( 1.796 -2.862 1.897) 3.875 3.726 ( -2.093 0.555 -1.704) 2.756 3.888 ( 1.397 -3.304 -1.903) 4.061 4.159 ( -0.597 5.292 2.272) 5.789 4.308 ( 0.747 4.225 0.681) 4.345 4.320 ( -0.250 4.877 3.579) 6.055 4.547 ( -0.892 -1.017 2.071) 2.474 4.595 ( -0.439 0.384 0.792) 0.984 4.785 ( 0.084 -2.179 -3.028) 3.732 4.852 ( -0.250 -0.161 -3.367) 3.381 4.914 ( -0.973 1.124 -1.768) 2.310 4.945 ( -1.350 -1.055 -0.513) 1.788 4.963 ( -0.116 -2.317 -0.641) 2.407 5.078 ( 0.140 -1.342 3.867) 4.095 5.179 ( 2.947 3.054 -3.498) 5.500 5.256 ( 0.369 -0.973 1.105) 1.518 5.357 ( 1.020 1.535 -0.855) 2.031 5.417 ( 0.487 -2.930 -1.203) 3.205 5.493 ( 0.070 -1.754 0.867) 1.958 5.534 ( -1.953 0.283 2.161) 2.927 5.702 ( -1.527 -3.069 1.715) 3.833 5.711 ( 0.221 -0.453 0.116) 0.517 5.799 ( 0.600 1.842 -0.065) 1.938 5.846 ( -1.018 -1.131 0.130) 1.527 5.928 ( -0.303 3.265 -0.661) 3.345 5.949 ( -1.070 0.217 -2.149) 2.410 6.263 ( 1.694 -2.974 -4.123) 5.358 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -12.985 4.286 0.885) 13.703 1.246 ( -10.936 6.303 3.861) 13.199 1.419 ( 5.431 3.306 0.018) 6.358 1.626 ( -7.126 -4.673 3.059) 9.054 1.852 ( 7.205 2.739 4.039) 8.702 1.922 ( 1.872 3.557 1.693) 4.361 2.045 ( -2.000 -0.722 0.113) 2.129 2.223 ( 2.920 -2.809 0.051) 4.053 2.292 ( -1.879 -1.365 -2.139) 3.157 2.369 ( -6.522 -1.300 1.384) 6.793 2.444 ( 2.318 2.376 6.504) 7.302 2.480 ( 3.522 -1.674 0.666) 3.956 2.573 ( -0.676 1.139 -0.962) 1.637 2.582 ( 2.923 -2.534 -0.535) 3.905 2.681 ( 0.044 2.812 7.330) 7.851 2.822 ( -5.474 4.817 3.107) 7.926 2.876 ( -1.020 -0.055 -3.060) 3.226 3.059 ( 1.614 3.865 -4.146) 5.894 3.202 ( 1.096 -2.490 -2.837) 3.930 3.284 ( 4.430 -0.567 -3.982) 5.984 3.410 ( -0.998 -3.161 0.638) 3.376 3.472 ( 2.534 0.720 2.867) 3.893 3.740 ( 3.246 -4.777 -3.588) 6.799 3.919 ( 2.862 -0.831 -1.107) 3.179 4.156 ( -0.286 6.409 1.061) 6.502 4.294 ( -1.893 2.994 1.364) 3.796 4.340 ( 0.612 3.493 4.113) 5.431 4.521 ( -1.163 1.302 2.200) 2.808 4.619 ( 1.923 0.400 0.550) 2.039 4.751 ( -2.417 -2.147 -3.429) 4.713 4.839 ( -0.240 -1.034 -3.595) 3.748 4.872 ( -2.395 2.150 -0.556) 3.266 4.917 ( -1.204 -1.557 -2.084) 2.867 4.986 ( 1.914 -2.148 0.319) 2.895 5.087 ( 0.524 0.316 1.910) 2.005 5.196 ( -0.296 5.348 -0.183) 5.360 5.301 ( 2.777 -1.862 0.805) 3.439 5.368 ( 0.952 0.341 -0.283) 1.050 5.417 ( -0.499 -2.585 -2.624) 3.717 5.483 ( -0.817 -0.500 2.917) 3.070 5.520 ( -0.018 0.267 1.025) 1.059 5.674 ( -1.851 -5.075 0.691) 5.446 5.729 ( 1.698 0.725 0.394) 1.888 5.832 ( 2.373 1.542 0.143) 2.833 5.839 ( 0.367 -0.700 -0.632) 1.012 5.909 ( -2.116 0.130 -3.252) 3.882 5.919 ( -0.438 3.295 -0.867) 3.435 6.270 ( -0.073 -2.988 -3.124) 4.323 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -16.167 6.867 1.988) 17.677 0.983 ( -16.088 6.138 9.658) 19.743 1.467 ( -10.041 10.148 7.611) 16.179 1.616 ( 11.826 4.717 -1.960) 12.882 1.882 ( -0.962 0.580 1.351) 1.756 2.016 ( 2.447 6.014 5.804) 8.709 2.045 ( 1.339 -3.313 -0.115) 3.575 2.189 ( -3.591 1.761 1.320) 4.212 2.259 ( -1.190 -2.177 -3.748) 4.495 2.325 ( 2.292 1.100 -0.508) 2.593 2.484 ( 0.639 1.071 4.712) 4.874 2.525 ( 0.627 -4.119 -0.087) 4.167 2.549 ( -0.707 -2.214 -0.757) 2.444 2.676 ( -0.897 -1.353 5.061) 5.315 2.683 ( 4.417 -3.046 0.187) 5.369 2.786 ( 2.047 -0.699 1.900) 2.879 2.870 ( 0.539 3.093 -1.015) 3.300 3.026 ( -2.461 4.096 -4.404) 6.498 3.215 ( 0.617 -0.563 -2.698) 2.824 3.343 ( -3.679 -0.310 -0.471) 3.722 3.398 ( 3.963 -5.250 -3.319) 7.368 3.508 ( 1.672 1.203 2.014) 2.881 3.779 ( 0.712 -10.107 -1.602) 10.258 4.003 ( 5.634 -0.585 -3.457) 6.636 4.155 ( 0.325 6.388 1.103) 6.490 4.257 ( -1.885 2.516 1.698) 3.573 4.345 ( -1.022 5.198 2.573) 5.889 4.516 ( -0.272 -2.540 3.429) 4.277 4.638 ( -0.934 -0.433 2.461) 2.668 4.709 ( -0.893 1.297 -3.453) 3.795 4.809 ( -1.654 1.419 -2.677) 3.452 4.871 ( 2.757 1.675 0.372) 3.247 4.901 ( 0.456 -0.012 -3.292) 3.323 5.016 ( 0.871 -2.711 1.668) 3.300 5.104 ( 0.360 1.722 -1.729) 2.467 5.197 ( 0.452 4.277 2.811) 5.138 5.309 ( -0.979 0.922 -1.175) 1.786 5.381 ( -0.478 -2.310 1.232) 2.662 5.441 ( 3.859 0.193 -1.025) 3.997 5.483 ( -0.403 0.024 2.813) 2.842 5.518 ( -0.008 0.289 -0.533) 0.606 5.633 ( -2.532 -6.102 0.140) 6.608 5.766 ( 1.544 0.099 0.628) 1.670 5.848 ( -1.245 1.350 -2.198) 2.864 5.853 ( 1.022 -1.147 -1.278) 1.998 5.884 ( 1.097 1.543 -1.267) 2.278 5.928 ( 1.807 3.574 -0.501) 4.036 6.249 ( -1.532 -2.726 -2.847) 4.229 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -8.054 13.596 8.998) 18.184 0.732 ( -11.493 11.980 13.596) 21.458 1.263 ( -12.410 24.674 17.489) 32.691 1.818 ( 8.027 3.330 -1.260) 8.781 1.869 ( -0.671 -0.970 1.095) 1.610 1.984 ( -2.528 5.005 -0.072) 5.608 2.109 ( 3.978 -5.367 0.566) 6.704 2.190 ( -0.000 0.687 2.672) 2.759 2.236 ( 0.426 -1.020 -2.764) 2.977 2.374 ( 2.568 0.695 0.313) 2.679 2.491 ( -0.554 -0.411 0.631) 0.935 2.509 ( -0.815 -8.632 -1.117) 8.742 2.545 ( -0.125 -1.498 0.121) 1.508 2.642 ( -0.862 -1.150 1.261) 1.912 2.781 ( 2.033 -1.928 5.264) 5.963 2.858 ( 3.704 -1.675 0.216) 4.071 2.888 ( 2.280 4.997 -1.707) 5.751 2.990 ( 0.157 3.200 -2.765) 4.232 3.194 ( -2.941 3.392 -1.471) 4.724 3.245 ( -4.083 -0.800 -3.485) 5.427 3.418 ( -1.863 -4.918 1.833) 5.570 3.570 ( 4.209 -1.582 -2.750) 5.271 3.759 ( -2.340 -11.130 -0.484) 11.384 4.070 ( 1.817 -1.142 -4.173) 4.692 4.199 ( 4.210 2.075 0.777) 4.758 4.237 ( -0.719 4.638 2.373) 5.259 4.320 ( -1.319 4.055 0.199) 4.269 4.521 ( -0.081 -5.591 4.588) 7.233 4.598 ( -4.069 0.952 3.403) 5.389 4.699 ( 1.068 3.903 -2.554) 4.785 4.789 ( 0.086 -1.085 -1.362) 1.744 4.924 ( 2.326 3.114 -3.048) 4.940 4.957 ( 4.987 2.261 0.092) 5.477 5.032 ( 0.614 -2.752 2.003) 3.458 5.069 ( -2.969 3.403 -3.742) 5.865 5.212 ( -0.077 0.686 2.815) 2.898 5.307 ( 0.906 1.899 -0.706) 2.220 5.364 ( -1.618 -1.050 -0.351) 1.960 5.462 ( -2.900 1.597 -1.989) 3.862 5.496 ( 2.002 -1.889 2.344) 3.615 5.536 ( 1.424 -1.575 0.366) 2.155 5.591 ( -0.874 -2.738 1.215) 3.120 5.780 ( 0.650 -0.924 -1.377) 1.782 5.834 ( 0.329 1.368 -1.864) 2.335 5.873 ( 1.146 -0.998 0.228) 1.536 5.913 ( 2.029 2.339 -0.670) 3.168 5.972 ( 2.495 3.882 -0.793) 4.682 6.195 ( -3.695 -0.912 -4.422) 5.834 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.512 17.987 10.320) 20.889 0.998 ( 1.659 20.439 5.509) 21.233 1.699 ( 1.860 18.728 7.420) 20.230 1.809 ( -0.503 -2.928 0.326) 2.989 1.954 ( 0.280 -5.600 2.203) 6.024 2.047 ( 0.537 8.301 1.748) 8.500 2.100 ( -0.029 5.204 -0.368) 5.217 2.182 ( -0.182 0.919 -5.004) 5.091 2.193 ( 0.972 -2.619 -3.390) 4.393 2.304 ( -0.667 -7.900 -0.880) 7.977 2.424 ( -1.244 -1.000 0.798) 1.784 2.470 ( 0.429 3.684 0.133) 3.711 2.576 ( 1.179 -0.034 -1.934) 2.265 2.631 ( -0.562 0.721 3.521) 3.638 2.739 ( -3.130 -2.089 2.594) 4.571 2.870 ( -0.516 0.231 1.562) 1.661 2.961 ( -0.616 -0.049 3.796) 3.846 3.116 ( -0.809 -4.794 -4.017) 6.307 3.143 ( 3.799 5.414 -4.418) 7.953 3.246 ( -2.950 -1.466 1.532) 3.633 3.325 ( 0.176 2.612 3.411) 4.300 3.487 ( -0.099 -10.742 -0.216) 10.745 3.523 ( -0.334 -5.514 -0.909) 5.598 3.908 ( 0.033 -15.873 1.121) 15.912 4.278 ( 0.498 2.409 2.674) 3.634 4.333 ( 0.010 6.840 1.050) 6.920 4.445 ( 0.380 7.660 -0.600) 7.693 4.500 ( 1.636 0.108 2.074) 2.644 4.567 ( -3.520 2.213 2.153) 4.683 4.660 ( 1.350 -6.540 0.413) 6.690 4.840 ( 0.158 3.833 -1.024) 3.970 4.948 ( -2.046 -1.279 3.599) 4.333 5.002 ( -1.277 1.570 -1.138) 2.321 5.020 ( 2.203 -0.969 -2.030) 3.148 5.133 ( -0.736 2.143 -0.746) 2.385 5.210 ( -0.223 1.725 0.715) 1.881 5.322 ( -0.935 -0.715 -0.345) 1.226 5.353 ( 0.553 -0.651 -1.524) 1.747 5.392 ( -0.733 0.988 -2.958) 3.204 5.489 ( -0.348 -1.854 -1.256) 2.266 5.530 ( 1.190 -0.917 0.009) 1.502 5.613 ( 0.338 -0.659 -1.844) 1.987 5.787 ( 2.439 -0.233 -0.940) 2.624 5.849 ( 1.918 -0.110 -2.002) 2.775 5.907 ( -0.055 2.367 1.955) 3.071 5.962 ( 0.058 0.985 -0.355) 1.049 6.034 ( -0.463 0.705 -0.002) 0.844 6.139 ( -1.561 0.393 -5.214) 5.457 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 2.127 17.812 6.923) 19.228 1.093 ( 7.040 16.392 9.737) 20.324 1.784 ( 5.129 15.323 6.457) 17.401 1.808 ( -0.294 -0.303 -0.090) 0.431 1.935 ( -3.140 -6.630 1.843) 7.564 2.036 ( -2.672 0.958 2.788) 3.978 2.093 ( -0.518 11.201 0.112) 11.214 2.172 ( 1.437 3.334 -4.059) 5.446 2.223 ( 1.531 -6.348 -4.875) 8.149 2.284 ( -0.353 -2.266 0.410) 2.329 2.410 ( -0.667 -2.049 -0.897) 2.334 2.492 ( 1.923 2.132 1.432) 3.209 2.563 ( -2.948 -3.110 -3.185) 5.339 2.627 ( -1.645 -0.042 5.020) 5.282 2.672 ( -1.826 0.445 1.643) 2.496 2.828 ( -3.705 -0.925 0.297) 3.831 2.955 ( -1.008 -0.424 3.499) 3.666 3.088 ( -0.242 -5.726 -0.674) 5.771 3.161 ( -0.936 -1.450 -4.759) 5.062 3.214 ( 0.231 0.426 -1.263) 1.353 3.304 ( -3.114 2.053 2.567) 4.528 3.538 ( 1.512 -1.970 0.411) 2.517 3.565 ( 6.919 -5.544 -0.324) 8.872 3.919 ( 0.553 -13.919 0.857) 13.957 4.297 ( 0.208 3.545 4.000) 5.349 4.330 ( 0.055 4.219 -0.479) 4.246 4.428 ( -2.331 6.045 -1.517) 6.654 4.510 ( -0.272 -0.834 4.421) 4.507 4.553 ( 1.613 5.511 -0.071) 5.743 4.707 ( 3.030 -7.883 1.497) 8.577 4.839 ( 0.305 4.156 -1.140) 4.321 4.925 ( -0.931 -0.634 2.380) 2.633 4.976 ( -0.938 2.113 -0.970) 2.508 5.029 ( -1.233 -2.014 -1.015) 2.570 5.088 ( -3.048 3.052 -2.234) 4.858 5.207 ( -0.259 2.714 -0.397) 2.755 5.319 ( -0.046 -2.087 -0.497) 2.145 5.341 ( -0.436 0.786 -2.040) 2.229 5.386 ( -0.109 0.178 -0.515) 0.555 5.492 ( 0.526 -1.422 -2.521) 2.942 5.551 ( 0.536 -1.758 -0.463) 1.895 5.594 ( -0.931 -2.514 0.184) 2.687 5.826 ( 0.757 0.250 0.352) 0.872 5.884 ( 2.339 2.057 -2.134) 3.776 5.904 ( -0.850 0.090 3.413) 3.518 5.942 ( -1.848 0.966 -0.448) 2.133 6.018 ( -1.038 1.177 -0.351) 1.609 6.102 ( -0.363 0.170 -5.350) 5.365 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 5.234 11.637 4.874) 13.659 1.270 ( 8.685 12.970 8.294) 17.676 1.755 ( -6.209 8.908 -0.929) 10.898 1.813 ( -6.184 -2.886 3.675) 7.751 1.916 ( 4.070 3.479 3.299) 6.289 1.989 ( -3.899 2.568 -2.618) 5.353 2.059 ( -0.432 -4.102 4.225) 5.905 2.203 ( -2.010 -5.514 -2.201) 6.268 2.216 ( 1.176 3.555 -3.187) 4.917 2.325 ( 3.347 4.430 2.235) 5.985 2.392 ( -0.448 -4.097 -2.027) 4.593 2.471 ( -3.124 1.153 -0.677) 3.398 2.545 ( -3.334 -1.849 0.976) 3.936 2.581 ( 3.373 -0.001 -1.927) 3.885 2.696 ( 0.218 1.453 2.209) 2.653 2.757 ( -1.719 0.390 4.704) 5.023 2.943 ( -0.712 -1.978 0.413) 2.142 3.115 ( 2.816 -6.278 0.501) 6.899 3.144 ( -0.201 -2.480 -4.435) 5.085 3.226 ( 1.329 3.791 -1.823) 4.412 3.255 ( -1.142 -1.906 -0.103) 2.224 3.541 ( -1.901 2.362 3.153) 4.374 3.693 ( 5.224 -3.288 1.382) 6.326 3.917 ( -0.976 -6.235 -1.496) 6.486 4.286 ( -1.818 3.908 3.361) 5.466 4.330 ( -0.347 2.156 -2.338) 3.200 4.409 ( 1.563 4.416 1.947) 5.073 4.522 ( 0.065 -0.552 3.264) 3.311 4.584 ( 1.560 5.405 -0.421) 5.641 4.764 ( 2.097 -4.763 1.285) 5.360 4.853 ( 0.958 0.890 -0.684) 1.476 4.920 ( -0.519 -2.471 1.757) 3.076 4.951 ( -1.068 4.736 -0.651) 4.899 4.985 ( -2.442 -2.970 -0.500) 3.878 5.040 ( -1.196 3.561 -2.152) 4.329 5.190 ( -1.367 1.941 -1.878) 3.027 5.288 ( -1.872 -3.115 -2.115) 4.205 5.354 ( 1.041 3.090 -2.524) 4.124 5.384 ( -0.073 -2.491 2.155) 3.295 5.473 ( -1.855 -1.210 -3.222) 3.910 5.540 ( -0.268 -1.444 1.853) 2.364 5.616 ( 1.806 -3.292 1.303) 3.975 5.804 ( -2.632 1.186 0.803) 2.997 5.876 ( -2.460 -0.494 1.200) 2.781 5.902 ( -1.011 1.106 0.094) 1.501 5.938 ( 1.942 1.481 -1.087) 2.673 5.996 ( -0.862 1.854 -0.349) 2.074 6.113 ( 2.336 -2.611 -5.144) 6.223 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 8.756 3.935 1.399) 9.701 1.422 ( 5.027 8.838 5.818) 11.715 1.590 ( -9.000 8.273 1.892) 12.370 1.718 ( -4.691 -1.650 2.256) 5.460 1.860 ( -6.812 6.003 -1.855) 9.267 1.985 ( 0.402 -1.808 0.013) 1.853 2.066 ( -2.586 -0.945 1.765) 3.270 2.153 ( 0.520 -8.709 2.694) 9.131 2.236 ( 1.573 1.208 -2.287) 3.027 2.367 ( -2.067 -3.621 1.047) 4.299 2.376 ( 1.320 1.213 2.406) 3.001 2.448 ( -0.597 2.947 0.284) 3.021 2.477 ( -0.506 -0.490 -4.066) 4.127 2.641 ( -2.219 0.327 0.768) 2.370 2.697 ( 5.340 -0.422 -3.933) 6.646 2.829 ( 5.726 3.624 7.835) 10.359 2.923 ( -1.145 -2.252 -2.500) 3.554 3.122 ( -0.863 -0.699 -3.347) 3.527 3.174 ( 2.354 -5.454 0.887) 6.006 3.247 ( 0.397 0.605 1.147) 1.356 3.284 ( 3.603 -0.659 -0.665) 3.722 3.485 ( -3.743 7.085 2.463) 8.383 3.747 ( -0.601 -4.059 3.484) 5.382 3.884 ( -0.838 2.439 -4.183) 4.914 4.256 ( -1.593 3.546 2.986) 4.902 4.332 ( 1.065 0.417 -1.481) 1.871 4.458 ( 1.388 6.855 1.138) 7.086 4.521 ( 0.063 -1.479 4.213) 4.466 4.610 ( 1.042 3.808 -0.369) 3.965 4.774 ( -0.802 1.368 -1.038) 1.895 4.859 ( -0.916 -3.954 -0.364) 4.075 4.898 ( -0.459 -4.937 0.298) 4.967 4.942 ( -1.578 -3.087 -0.325) 3.482 4.971 ( 1.286 6.518 1.012) 6.720 5.032 ( 0.746 1.879 -0.297) 2.043 5.156 ( -1.313 -1.477 -2.615) 3.278 5.262 ( 0.087 -2.904 -2.100) 3.584 5.350 ( -0.885 0.858 -2.639) 2.913 5.380 ( -1.016 -2.309 2.172) 3.329 5.453 ( 0.719 -0.565 -0.660) 1.128 5.547 ( 0.069 -0.602 2.074) 2.161 5.643 ( 0.589 -2.453 1.240) 2.811 5.753 ( -2.425 1.061 0.384) 2.675 5.834 ( -1.910 -1.192 0.083) 2.253 5.876 ( -1.289 2.709 -0.372) 3.023 5.963 ( 0.771 0.951 -1.205) 1.718 5.984 ( -0.524 1.488 -0.829) 1.782 6.153 ( 2.567 -4.327 -4.528) 6.769 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -1.223 2.474 -0.780) 2.868 1.465 ( -2.111 9.125 0.821) 9.402 1.543 ( 5.515 0.602 5.406) 7.746 1.588 ( -9.485 3.230 2.504) 10.328 1.774 ( -0.557 1.517 -1.452) 2.173 1.919 ( -3.598 -3.925 -3.737) 6.505 2.069 ( 2.009 2.862 3.777) 5.148 2.192 ( 1.291 -8.721 2.765) 9.239 2.239 ( -1.110 3.628 -2.502) 4.544 2.343 ( -0.687 -3.018 -0.026) 3.095 2.404 ( 1.332 -0.508 3.851) 4.107 2.454 ( 2.051 3.703 0.767) 4.302 2.493 ( 1.771 -1.234 -2.979) 3.679 2.616 ( -0.554 2.051 1.461) 2.578 2.747 ( 0.264 -1.647 -0.613) 1.777 2.897 ( -0.496 -0.415 -3.201) 3.266 2.984 ( 8.451 0.873 0.799) 8.533 3.107 ( -0.475 2.173 -2.059) 3.031 3.167 ( -5.511 -1.484 5.091) 7.648 3.218 ( -2.172 -1.465 0.942) 2.784 3.342 ( 1.267 -2.282 3.707) 4.534 3.471 ( 3.064 7.775 -3.562) 9.085 3.696 ( -4.136 -2.512 2.586) 5.487 3.892 ( 2.002 2.896 -2.487) 4.310 4.248 ( 0.110 3.030 3.199) 4.407 4.353 ( 1.075 0.686 -0.369) 1.328 4.431 ( -3.131 4.592 0.358) 5.569 4.569 ( 2.445 3.309 4.919) 6.413 4.621 ( 0.442 2.758 -0.133) 2.797 4.757 ( -0.540 0.697 -1.441) 1.689 4.814 ( -2.364 -3.451 -3.122) 5.220 4.897 ( -0.418 -2.874 -1.012) 3.075 4.924 ( -0.371 -2.549 0.460) 2.616 4.974 ( -0.917 4.688 0.013) 4.777 5.064 ( 1.614 0.036 2.523) 2.996 5.157 ( 2.646 -4.335 -1.542) 5.308 5.283 ( 2.078 -0.825 -2.508) 3.360 5.327 ( -0.849 -2.365 -0.565) 2.575 5.365 ( -0.759 -1.210 1.269) 1.911 5.476 ( 1.213 -0.286 0.199) 1.262 5.536 ( -1.598 0.275 1.259) 2.053 5.640 ( -1.313 -2.306 1.058) 2.857 5.728 ( -0.002 1.131 -0.100) 1.135 5.810 ( -0.425 -1.552 -0.524) 1.692 5.865 ( 0.456 3.875 -0.487) 3.932 5.956 ( -1.239 0.505 -1.986) 2.394 5.972 ( -0.375 1.350 -1.720) 2.218 6.184 ( 1.475 -4.974 -3.495) 6.256 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -10.902 5.167 0.187) 12.066 1.381 ( -11.643 7.795 5.458) 15.037 1.507 ( 6.573 5.492 -1.370) 8.674 1.610 ( 1.341 2.966 0.797) 3.352 1.866 ( -0.064 -3.172 -1.916) 3.706 1.898 ( 9.819 -4.884 -1.352) 11.050 2.096 ( -1.168 4.303 3.190) 5.482 2.199 ( -1.644 -3.456 -1.147) 3.996 2.235 ( 3.262 1.707 0.265) 3.691 2.324 ( -1.468 -1.550 -0.377) 2.168 2.437 ( 1.239 -1.308 2.251) 2.883 2.496 ( 0.811 1.315 0.574) 1.648 2.532 ( 2.278 -2.234 -1.141) 3.388 2.618 ( 1.397 2.503 -0.112) 2.869 2.732 ( -1.429 1.537 3.059) 3.710 2.890 ( -0.751 1.599 -1.576) 2.367 2.966 ( -10.367 7.478 7.187) 14.665 3.109 ( -0.827 0.648 -2.820) 3.010 3.136 ( 4.944 -2.991 -3.357) 6.683 3.215 ( 2.044 -5.078 1.839) 5.774 3.349 ( -1.178 -2.181 2.481) 3.507 3.527 ( 2.335 3.599 -1.819) 4.660 3.632 ( -2.923 -4.909 2.273) 6.149 3.933 ( 2.197 0.772 -1.284) 2.659 4.269 ( 0.949 4.442 3.541) 5.759 4.360 ( -1.608 2.766 -0.331) 3.216 4.378 ( -0.728 1.218 1.609) 2.145 4.578 ( -2.787 4.434 0.954) 5.323 4.643 ( 1.360 1.209 2.583) 3.159 4.729 ( -2.036 -0.391 -2.585) 3.314 4.802 ( 1.921 -0.631 -0.508) 2.085 4.892 ( 0.763 -1.104 -2.320) 2.680 4.922 ( -0.263 1.676 -1.693) 2.397 4.957 ( 0.149 0.416 1.332) 1.404 5.097 ( 1.704 0.662 1.631) 2.450 5.235 ( 3.982 -5.048 1.167) 6.535 5.298 ( 0.104 4.028 -0.815) 4.111 5.325 ( 0.603 -4.527 -1.937) 4.961 5.370 ( 1.598 -1.483 -0.303) 2.201 5.472 ( -1.845 -0.985 0.831) 2.251 5.524 ( 0.652 0.467 1.036) 1.310 5.602 ( -2.544 -2.300 0.090) 3.431 5.745 ( 1.434 0.907 -0.155) 1.704 5.812 ( 0.517 -1.474 -0.740) 1.729 5.890 ( 1.873 3.684 -0.193) 4.138 5.918 ( -1.859 0.826 -3.173) 3.769 5.963 ( 0.076 1.243 -2.089) 2.432 6.193 ( 0.150 -4.804 -2.442) 5.391 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -9.519 11.648 2.358) 15.226 1.179 ( -10.484 12.899 6.068) 17.695 1.630 ( 2.837 6.780 -0.173) 7.351 1.697 ( 10.196 0.432 -2.182) 10.436 1.854 ( -0.239 -5.882 0.188) 5.889 2.031 ( -0.515 4.991 1.880) 5.359 2.108 ( 5.305 -2.007 -2.203) 6.084 2.165 ( -1.517 -2.588 -2.416) 3.852 2.268 ( -2.495 7.443 3.419) 8.562 2.321 ( 2.658 -4.053 -1.131) 4.977 2.449 ( -0.852 -0.900 0.533) 1.349 2.492 ( -0.682 -0.127 -2.743) 2.830 2.538 ( 0.119 -0.165 0.532) 0.570 2.685 ( -0.998 2.589 1.602) 3.204 2.706 ( 1.866 3.641 6.440) 7.630 2.779 ( -4.048 2.220 4.325) 6.326 2.936 ( 1.922 3.062 0.836) 3.710 3.061 ( -2.418 0.171 -2.802) 3.705 3.203 ( 2.797 -1.925 -3.288) 4.726 3.249 ( -0.912 -7.659 0.424) 7.725 3.333 ( 0.196 -1.566 0.670) 1.715 3.547 ( 0.134 1.794 -0.487) 1.863 3.591 ( -2.215 -8.008 2.832) 8.778 3.949 ( -0.581 -5.866 -0.098) 5.896 4.284 ( -0.286 5.944 3.373) 6.840 4.322 ( -1.297 3.978 0.178) 4.187 4.403 ( 2.101 -0.378 2.183) 3.053 4.506 ( -3.735 4.876 -0.734) 6.186 4.646 ( -1.218 -1.573 0.930) 2.196 4.696 ( -1.451 -0.922 0.690) 1.852 4.839 ( 0.916 2.030 -1.095) 2.482 4.916 ( 2.179 0.081 -2.659) 3.439 4.924 ( 2.095 4.012 -0.415) 4.545 4.986 ( 1.447 0.171 2.292) 2.716 5.134 ( 1.527 1.654 -0.122) 2.255 5.250 ( -1.605 -0.048 1.509) 2.204 5.320 ( 0.042 -1.306 -2.753) 3.047 5.328 ( 1.508 -1.534 1.692) 2.737 5.433 ( 3.935 -1.064 -2.468) 4.765 5.454 ( 0.951 -2.166 0.090) 2.368 5.529 ( -1.285 0.211 -0.295) 1.335 5.559 ( -0.962 -1.321 0.356) 1.672 5.764 ( 0.246 -0.096 -0.554) 0.614 5.820 ( 0.367 -1.859 -1.179) 2.232 5.887 ( -0.166 2.458 -2.788) 3.720 5.923 ( 1.420 2.227 -0.261) 2.654 5.981 ( 2.321 1.915 -1.546) 3.383 6.183 ( -0.601 -3.892 -1.877) 4.363 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -1.117 18.554 5.354) 19.343 1.029 ( -6.093 17.284 7.151) 19.672 1.666 ( 1.085 11.649 3.414) 12.187 1.825 ( -0.058 -2.483 -1.111) 2.720 1.896 ( 5.975 -5.866 0.987) 8.431 2.026 ( 0.776 7.170 2.019) 7.489 2.112 ( -1.902 4.296 -3.295) 5.739 2.176 ( 1.513 -2.482 -4.887) 5.686 2.220 ( -2.622 4.766 3.522) 6.480 2.329 ( -1.692 -7.960 -1.298) 8.240 2.433 ( 0.073 3.374 2.559) 4.235 2.477 ( -0.718 0.515 -2.685) 2.827 2.554 ( 1.186 0.736 -0.379) 1.446 2.638 ( -1.316 1.177 2.982) 3.466 2.756 ( -0.043 -0.423 4.701) 4.720 2.822 ( 4.708 -0.338 3.074) 5.633 2.968 ( -0.150 2.204 2.519) 3.350 3.048 ( 3.284 3.401 -4.423) 6.474 3.178 ( -3.223 -5.812 -2.274) 7.024 3.259 ( 1.533 0.984 -0.729) 1.962 3.330 ( -1.057 -3.480 0.383) 3.657 3.527 ( -2.323 -6.000 -0.657) 6.468 3.552 ( -2.347 -5.867 2.824) 6.921 3.922 ( -1.666 -12.923 0.708) 13.050 4.275 ( -0.796 2.424 2.794) 3.783 4.321 ( 0.788 7.436 0.579) 7.500 4.448 ( 0.372 6.341 0.250) 6.357 4.460 ( 0.576 0.536 1.717) 1.888 4.620 ( -1.833 -1.289 1.088) 2.491 4.663 ( -1.773 -2.737 0.813) 3.361 4.839 ( 0.044 3.907 -1.238) 4.098 4.956 ( 1.827 -2.535 0.280) 3.137 4.978 ( 1.848 2.319 0.073) 2.966 5.008 ( 0.852 1.302 0.845) 1.771 5.138 ( -0.430 3.317 -1.232) 3.564 5.220 ( -1.237 0.113 1.108) 1.664 5.335 ( 1.535 -0.285 -1.850) 2.420 5.340 ( -0.446 -1.808 0.626) 1.965 5.428 ( -1.819 -1.636 -2.776) 3.700 5.503 ( 0.362 -1.477 -1.785) 2.345 5.509 ( 0.383 0.933 1.218) 1.581 5.578 ( 3.009 -0.192 -1.717) 3.470 5.761 ( 0.393 -0.545 -1.732) 1.858 5.825 ( 0.808 -1.775 -1.568) 2.503 5.896 ( 0.949 3.091 -0.249) 3.243 5.948 ( 1.228 1.592 -0.148) 2.016 6.024 ( 1.758 1.567 -0.845) 2.502 6.167 ( -0.585 -2.046 -3.010) 3.686 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 1.564 16.632 7.281) 18.223 1.382 ( 2.010 18.660 1.663) 18.841 1.617 ( 1.212 -12.635 5.684) 13.908 1.717 ( 1.586 -14.707 0.442) 14.799 1.956 ( 1.818 7.336 -3.349) 8.266 2.071 ( 0.122 -3.327 -3.251) 4.653 2.118 ( 0.942 -0.798 -3.240) 3.467 2.155 ( 0.630 -5.222 -2.103) 5.665 2.283 ( 0.368 6.568 -3.204) 7.317 2.372 ( -1.771 0.919 -0.574) 2.076 2.482 ( 0.239 7.268 0.989) 7.339 2.550 ( -0.155 -0.849 -1.839) 2.032 2.569 ( 1.390 5.637 -3.968) 7.032 2.661 ( -0.422 -3.338 -1.337) 3.621 2.750 ( -4.765 13.273 8.766) 16.605 2.902 ( -3.086 1.905 3.566) 5.086 2.990 ( 0.316 2.816 3.685) 4.649 3.006 ( -2.380 -4.870 -0.874) 5.491 3.144 ( -4.488 -7.624 1.532) 8.979 3.165 ( -3.174 -8.296 0.632) 8.905 3.323 ( 7.878 -0.330 0.075) 7.885 3.374 ( 7.492 -1.436 -0.767) 7.667 3.479 ( -3.734 2.221 3.554) 5.613 3.609 ( -2.694 -11.868 6.506) 13.800 4.355 ( 0.853 5.147 1.258) 5.366 4.437 ( -0.478 0.097 -1.069) 1.175 4.492 ( 1.872 1.247 2.762) 3.562 4.539 ( -0.338 -2.242 0.803) 2.405 4.566 ( -1.130 2.320 0.328) 2.602 4.599 ( -1.117 -0.356 3.155) 3.366 4.899 ( 0.206 2.328 -1.864) 2.989 4.931 ( -0.266 -0.898 0.524) 1.073 5.009 ( -0.857 1.193 -0.502) 1.552 5.033 ( -0.121 0.202 1.009) 1.036 5.162 ( -0.551 1.377 -1.233) 1.929 5.204 ( -0.396 -2.478 -0.175) 2.516 5.304 ( 0.047 0.075 -0.039) 0.097 5.323 ( 0.173 -1.538 -0.638) 1.674 5.432 ( -0.116 2.212 -3.385) 4.045 5.464 ( -0.327 -1.200 -2.491) 2.784 5.530 ( -0.029 1.129 -1.349) 1.759 5.573 ( -0.159 -2.801 -2.449) 3.724 5.799 ( 2.596 1.273 -0.813) 3.004 5.828 ( 2.667 -1.528 -1.046) 3.247 5.963 ( -0.130 1.992 -0.333) 2.024 5.977 ( -0.249 0.330 -0.024) 0.414 6.060 ( -0.548 2.547 -0.513) 2.655 6.116 ( -0.604 -2.480 -2.832) 3.813 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 1.488 16.129 7.020) 17.654 1.420 ( 2.958 16.739 4.083) 17.482 1.673 ( 3.097 -12.279 6.545) 14.255 1.722 ( -1.547 -13.409 1.680) 13.602 1.971 ( 0.989 6.326 -1.943) 6.691 2.066 ( -0.371 -2.910 -2.483) 3.843 2.113 ( -0.642 1.091 -3.027) 3.281 2.165 ( -0.123 -3.407 -5.418) 6.402 2.268 ( -0.523 4.873 -3.166) 5.834 2.339 ( -0.958 0.818 -0.192) 1.274 2.461 ( -3.875 3.841 0.058) 5.456 2.527 ( -1.783 -0.049 -2.134) 2.782 2.581 ( 0.198 2.721 -0.870) 2.864 2.609 ( -3.757 -2.316 -1.740) 4.744 2.738 ( 1.990 11.500 5.049) 12.716 2.832 ( -4.112 1.545 2.855) 5.239 2.929 ( -4.621 -3.489 -1.244) 5.922 3.014 ( 1.425 3.281 3.626) 5.093 3.068 ( -1.998 -8.530 -3.185) 9.322 3.139 ( 0.685 -8.109 0.264) 8.143 3.393 ( -2.241 7.261 5.911) 9.627 3.518 ( 5.651 -0.912 3.878) 6.914 3.527 ( 7.078 0.229 0.909) 7.140 3.618 ( 3.900 -14.010 3.732) 15.014 4.378 ( 0.867 4.298 1.727) 4.713 4.407 ( -2.343 2.233 -0.583) 3.288 4.478 ( -2.527 1.101 0.280) 2.771 4.557 ( 1.103 -5.685 1.287) 5.933 4.568 ( 2.181 3.466 1.728) 4.445 4.620 ( 1.812 0.228 2.177) 2.842 4.896 ( -0.180 1.847 -0.962) 2.090 4.920 ( -0.976 -0.229 0.710) 1.229 4.987 ( -1.237 1.029 -2.156) 2.690 5.027 ( -0.653 -0.389 0.873) 1.157 5.147 ( -1.331 3.207 -2.264) 4.145 5.206 ( -0.009 -2.365 -1.179) 2.642 5.286 ( -1.380 -0.393 -0.921) 1.705 5.311 ( -0.402 -2.145 1.239) 2.510 5.430 ( 0.222 2.729 -3.587) 4.512 5.468 ( 0.541 -1.371 -3.513) 3.810 5.526 ( 0.419 -0.465 -0.333) 0.709 5.544 ( -1.848 -2.170 -1.074) 3.046 5.840 ( 1.113 1.213 0.675) 1.779 5.868 ( 1.024 -1.553 0.938) 2.084 5.950 ( -0.817 1.783 -0.998) 2.200 5.962 ( -1.026 0.597 -0.573) 1.318 6.042 ( -0.962 1.988 -0.952) 2.405 6.085 ( -1.503 -1.866 -3.057) 3.884 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -1.321 13.795 3.833) 14.378 1.529 ( 5.009 12.146 5.465) 14.229 1.653 ( -4.319 -10.968 3.707) 12.357 1.771 ( 4.867 -9.269 5.260) 11.716 1.968 ( -4.951 4.662 3.904) 7.841 2.019 ( -1.318 2.334 -4.625) 5.346 2.097 ( -2.854 1.580 -6.798) 7.540 2.114 ( -1.513 -2.758 -2.857) 4.250 2.266 ( 0.143 2.924 -2.227) 3.678 2.344 ( 0.861 -2.962 0.065) 3.085 2.352 ( -4.175 2.316 -1.261) 4.938 2.468 ( -3.677 -4.539 -1.736) 6.094 2.544 ( -1.299 3.114 -0.905) 3.493 2.601 ( 1.109 -1.285 -2.004) 2.627 2.749 ( -2.142 2.939 -0.354) 3.654 2.821 ( 1.774 2.247 3.771) 4.735 2.872 ( -0.253 1.533 -1.264) 2.003 3.023 ( -0.456 -5.207 0.420) 5.244 3.091 ( 3.698 0.258 -0.402) 3.729 3.167 ( 1.763 -5.158 0.830) 5.514 3.377 ( -0.451 9.307 4.726) 10.448 3.545 ( -1.026 -5.156 6.455) 8.325 3.667 ( 5.585 1.835 3.123) 6.657 3.757 ( 8.019 -7.535 0.495) 11.015 4.353 ( -3.002 1.902 -1.019) 3.697 4.362 ( -2.674 0.826 -0.550) 2.852 4.477 ( 2.343 4.883 3.585) 6.496 4.573 ( 0.261 0.570 1.161) 1.319 4.627 ( 2.911 -1.314 1.487) 3.523 4.670 ( 3.352 -1.814 0.872) 3.910 4.870 ( -2.728 0.019 0.001) 2.728 4.898 ( -1.545 -1.422 -1.227) 2.432 4.950 ( -2.087 3.542 -2.186) 4.657 5.026 ( 0.556 -0.365 0.206) 0.696 5.111 ( -1.089 3.294 -1.031) 3.619 5.173 ( -2.853 -2.915 -1.472) 4.336 5.252 ( -2.315 1.383 -1.303) 2.995 5.321 ( 0.017 -3.450 1.564) 3.788 5.414 ( -0.823 1.797 -3.328) 3.871 5.441 ( -1.523 -1.670 -4.253) 4.816 5.529 ( 0.928 0.743 1.388) 1.827 5.563 ( 2.288 -2.358 1.336) 3.547 5.826 ( -2.592 1.227 1.366) 3.176 5.853 ( -2.655 -1.452 1.890) 3.568 5.940 ( 0.135 2.009 -1.696) 2.632 5.961 ( 1.063 0.234 -1.643) 1.971 6.023 ( -0.741 1.514 -1.155) 2.043 6.063 ( 0.005 -2.460 -3.339) 4.148 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 1.452 7.519 1.679) 7.839 1.532 ( -2.823 -4.647 0.699) 5.482 1.661 ( 1.372 8.105 6.146) 10.264 1.818 ( -7.951 9.085 0.915) 12.107 1.862 ( 0.423 -10.064 3.335) 10.610 1.972 ( -5.777 -4.180 -4.750) 8.568 1.988 ( -2.104 3.796 -1.218) 4.507 2.082 ( -1.699 -2.579 1.210) 3.317 2.276 ( 2.202 2.428 -1.595) 3.646 2.317 ( -0.155 -0.177 -1.658) 1.675 2.381 ( 2.123 -0.127 -1.201) 2.443 2.433 ( 0.927 -3.698 -4.257) 5.715 2.529 ( -0.274 4.777 -0.755) 4.844 2.618 ( 0.884 -3.493 -1.598) 3.942 2.720 ( -0.639 3.893 0.903) 4.047 2.832 ( 0.214 -6.226 -1.726) 6.465 2.919 ( 3.636 5.173 2.367) 6.752 3.026 ( 0.930 -5.798 0.248) 5.877 3.157 ( 2.504 1.266 1.863) 3.368 3.203 ( 1.429 -3.087 2.104) 4.000 3.381 ( -0.582 8.068 3.855) 8.961 3.525 ( -2.069 -4.969 4.343) 6.917 3.761 ( 3.402 6.401 2.681) 7.729 3.879 ( 4.268 -3.772 -1.186) 5.818 4.297 ( -2.403 0.969 -0.503) 2.640 4.316 ( -1.239 -1.252 0.459) 1.821 4.538 ( 1.341 3.474 3.890) 5.385 4.570 ( 0.028 3.051 1.882) 3.585 4.674 ( 2.000 1.840 0.172) 2.723 4.753 ( 4.558 -5.432 0.498) 7.109 4.811 ( -2.411 0.544 -0.872) 2.621 4.861 ( -1.485 -2.915 -1.408) 3.562 4.895 ( -3.176 5.310 -1.947) 6.486 5.027 ( -1.145 -4.403 -1.750) 4.874 5.108 ( -0.548 0.857 1.006) 1.431 5.134 ( 0.045 5.558 1.230) 5.692 5.189 ( -2.754 -1.942 -1.771) 3.807 5.289 ( -2.889 -5.680 0.514) 6.394 5.401 ( 0.305 2.203 -1.591) 2.735 5.438 ( 1.114 -1.513 -1.601) 2.468 5.556 ( 1.017 1.790 1.214) 2.390 5.600 ( 0.987 -2.313 1.178) 2.778 5.775 ( -2.354 1.289 0.401) 2.714 5.803 ( -2.278 -1.610 0.490) 2.832 5.942 ( 0.334 3.304 -1.643) 3.705 5.974 ( 0.360 -0.103 -1.356) 1.407 6.009 ( -0.563 1.530 -1.652) 2.321 6.067 ( 0.921 -4.289 -3.407) 5.554 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.229 4.020 0.822) 4.110 1.529 ( 1.771 -6.335 -0.058) 6.578 1.634 ( -4.004 8.043 2.910) 9.444 1.680 ( -4.550 7.157 2.470) 8.833 1.815 ( -4.216 -2.757 -1.098) 5.155 1.839 ( -4.725 -1.259 -6.813) 8.386 2.032 ( 3.436 -2.194 2.314) 4.688 2.099 ( 3.236 -3.638 1.123) 4.997 2.305 ( 0.406 1.518 0.710) 1.724 2.332 ( 1.736 2.577 -1.546) 3.471 2.405 ( 0.926 0.457 -0.759) 1.282 2.460 ( 2.098 -2.604 -4.228) 5.391 2.530 ( 0.312 4.726 -0.087) 4.738 2.622 ( -0.042 -3.302 -1.691) 3.710 2.729 ( 1.127 3.063 1.837) 3.745 2.836 ( 0.680 -5.787 -1.870) 6.119 3.001 ( 3.967 1.818 2.950) 5.267 3.058 ( 1.828 -4.005 1.538) 4.663 3.178 ( -0.907 1.721 2.366) 3.063 3.211 ( -1.734 -1.301 3.220) 3.881 3.369 ( -1.226 5.449 4.355) 7.082 3.494 ( -1.601 -5.688 1.253) 6.041 3.777 ( -2.463 9.646 0.360) 9.962 3.914 ( 0.103 -2.701 -1.999) 3.362 4.277 ( 0.621 1.489 1.477) 2.187 4.329 ( 1.803 -3.073 2.236) 4.207 4.513 ( -2.600 4.969 1.037) 5.703 4.598 ( 0.578 -2.318 3.091) 3.906 4.705 ( 0.283 5.246 0.593) 5.287 4.769 ( -0.849 -0.249 -1.629) 1.854 4.815 ( 0.069 0.124 -0.097) 0.172 4.846 ( -0.792 -1.116 -0.414) 1.430 4.871 ( 3.317 1.220 -1.887) 4.006 5.002 ( 0.599 -7.224 -2.921) 7.816 5.084 ( -2.093 4.676 1.405) 5.312 5.119 ( -0.627 2.061 0.100) 2.157 5.205 ( 2.660 -2.923 1.687) 4.297 5.260 ( 0.194 -5.122 1.637) 5.381 5.403 ( 0.023 2.999 -1.199) 3.230 5.453 ( 0.432 -2.099 -0.826) 2.296 5.559 ( -0.888 1.973 0.336) 2.190 5.600 ( -1.124 -2.085 0.450) 2.411 5.752 ( -0.015 1.328 -0.240) 1.349 5.780 ( -0.184 -1.521 -0.394) 1.582 5.946 ( 0.432 3.428 -1.354) 3.711 5.965 ( -0.889 0.298 -1.880) 2.101 5.994 ( -0.388 2.006 -2.413) 3.162 6.080 ( 1.059 -5.565 -2.770) 6.306 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -4.725 7.762 1.239) 9.171 1.518 ( -0.922 -5.107 0.155) 5.192 1.561 ( -5.013 8.588 2.921) 10.364 1.706 ( 4.463 6.457 -2.070) 8.118 1.734 ( -3.923 -7.392 0.155) 8.370 1.831 ( 6.447 -4.468 -5.176) 9.398 2.096 ( 3.135 1.038 -0.200) 3.308 2.172 ( 3.525 -3.859 -1.590) 5.463 2.285 ( -2.529 5.286 -1.034) 5.950 2.363 ( 1.560 0.851 0.730) 1.921 2.426 ( 1.044 0.352 0.756) 1.336 2.485 ( 1.355 -2.786 -1.285) 3.354 2.533 ( 0.065 4.278 -1.145) 4.429 2.626 ( 1.270 -2.907 -1.715) 3.606 2.760 ( 1.357 3.177 3.510) 4.925 2.859 ( 2.418 -5.340 -1.194) 5.983 3.047 ( -2.086 1.816 5.224) 5.911 3.078 ( -0.282 -0.982 2.050) 2.291 3.147 ( -1.787 0.675 0.955) 2.136 3.165 ( -2.016 -0.199 1.389) 2.456 3.357 ( -1.202 3.710 3.572) 5.288 3.468 ( -1.601 -6.670 1.187) 6.961 3.700 ( -4.554 9.075 1.192) 10.224 3.876 ( -3.774 -7.288 0.117) 8.208 4.321 ( 2.847 2.542 2.833) 4.753 4.369 ( 1.573 -1.673 1.790) 2.911 4.461 ( -2.825 6.622 0.203) 7.203 4.590 ( -1.961 -5.877 -0.189) 6.198 4.677 ( -2.392 4.794 0.459) 5.378 4.732 ( -2.317 -0.176 0.839) 2.470 4.844 ( 1.871 2.223 0.356) 2.928 4.865 ( 2.770 -1.166 -1.128) 3.210 4.939 ( 4.252 2.708 -1.747) 5.335 5.002 ( -0.691 0.351 -2.440) 2.560 5.100 ( 2.957 -0.389 1.233) 3.227 5.138 ( 3.195 -3.128 1.337) 4.667 5.252 ( 1.698 -1.278 1.021) 2.358 5.290 ( 1.823 -3.485 1.581) 4.239 5.398 ( 0.101 2.956 -1.901) 3.516 5.444 ( -1.071 -1.876 -1.401) 2.574 5.541 ( -0.649 1.244 0.594) 1.524 5.569 ( -1.882 -1.513 0.005) 2.415 5.764 ( 0.895 1.039 -0.395) 1.427 5.786 ( 0.577 -1.223 -0.559) 1.463 5.937 ( -0.903 1.099 -2.798) 3.139 5.948 ( -0.199 0.594 -2.061) 2.154 5.996 ( 1.248 3.918 -1.840) 4.504 6.093 ( 0.790 -5.393 -1.833) 5.751 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -2.009 14.225 1.524) 14.447 1.436 ( -5.788 12.332 2.496) 13.850 1.567 ( 3.226 -11.513 0.545) 11.969 1.660 ( -2.892 -7.919 1.599) 8.580 1.813 ( 6.130 6.351 -3.213) 9.393 1.969 ( 6.989 -8.433 -4.709) 11.922 2.150 ( 1.585 2.053 -2.642) 3.702 2.193 ( -0.793 3.537 -1.298) 3.850 2.241 ( -0.661 1.411 -1.710) 2.314 2.377 ( 0.239 -6.014 -0.151) 6.021 2.450 ( 1.259 5.892 2.337) 6.462 2.512 ( 1.602 -2.088 -1.797) 3.187 2.539 ( 1.150 5.332 -2.632) 6.056 2.655 ( 1.425 -4.688 -0.767) 4.959 2.805 ( 2.909 6.290 5.802) 9.038 2.929 ( 4.667 -2.253 0.392) 5.197 2.948 ( -7.083 7.803 7.398) 12.876 3.057 ( -2.106 -0.257 1.108) 2.394 3.132 ( -1.932 -2.973 -1.201) 3.743 3.148 ( 0.905 -3.404 0.348) 3.540 3.328 ( -2.429 1.960 1.381) 3.413 3.426 ( -3.514 -7.275 2.729) 8.527 3.631 ( -3.401 5.519 2.977) 7.134 3.782 ( -6.115 -9.747 3.348) 11.983 4.372 ( -1.168 2.853 1.426) 3.396 4.381 ( 2.107 1.369 2.083) 3.264 4.435 ( 0.573 4.294 -0.461) 4.356 4.541 ( -2.121 -5.423 -0.475) 5.842 4.633 ( -2.250 4.505 0.556) 5.066 4.691 ( -2.450 -1.066 2.056) 3.371 4.878 ( 1.394 1.671 -1.393) 2.584 4.905 ( 1.562 -1.107 -1.643) 2.523 5.000 ( 1.636 2.914 -0.883) 3.456 5.009 ( 1.774 1.597 2.068) 3.158 5.168 ( 3.763 1.461 0.815) 4.119 5.212 ( 2.734 -3.036 1.281) 4.282 5.262 ( -0.456 -0.597 -0.949) 1.210 5.307 ( -0.651 -2.980 -0.192) 3.056 5.423 ( 2.671 0.335 -3.040) 4.061 5.431 ( 1.463 -0.414 -2.810) 3.195 5.533 ( -0.744 0.488 0.587) 1.066 5.546 ( -0.063 -0.694 0.519) 0.869 5.769 ( -0.321 0.624 -1.055) 1.267 5.788 ( -0.148 -1.355 -1.053) 1.723 5.930 ( 1.034 1.847 -2.660) 3.400 5.951 ( 1.052 0.032 -1.758) 2.049 6.026 ( 1.923 3.372 -0.991) 4.006 6.103 ( 0.704 -4.275 -1.247) 4.508 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.853 17.499 3.739) 17.914 1.363 ( -1.743 16.559 2.526) 16.841 1.603 ( -0.401 -12.711 3.888) 13.298 1.667 ( 3.224 -13.838 -0.211) 14.210 1.907 ( 4.166 7.557 -3.368) 9.263 2.055 ( 3.163 -7.099 -4.123) 8.798 2.117 ( -1.365 2.016 -3.727) 4.452 2.176 ( -1.866 -3.442 -1.468) 4.181 2.259 ( 2.406 6.548 -1.757) 7.194 2.389 ( 0.405 -4.515 -0.790) 4.601 2.471 ( 0.517 7.901 1.782) 8.116 2.539 ( 1.815 -0.715 -3.947) 4.403 2.555 ( 0.825 5.203 -2.070) 5.660 2.666 ( 0.021 -3.635 -0.779) 3.718 2.833 ( -5.960 13.291 8.674) 16.953 2.889 ( 3.209 6.046 7.514) 10.164 3.002 ( -1.746 1.558 1.399) 2.726 3.044 ( 0.800 -5.837 2.508) 6.403 3.092 ( 2.505 -0.436 -1.543) 2.974 3.196 ( 3.256 -8.767 0.043) 9.352 3.278 ( -1.964 -0.840 -1.638) 2.692 3.344 ( -4.957 -7.933 1.251) 9.437 3.562 ( -4.881 3.079 3.994) 7.019 3.676 ( -5.495 -9.793 5.483) 12.496 4.348 ( -0.505 4.723 0.478) 4.774 4.429 ( 1.715 -2.794 0.218) 3.285 4.451 ( 1.167 5.174 1.258) 5.451 4.529 ( 0.467 -2.932 1.627) 3.385 4.594 ( -1.940 3.603 0.586) 4.134 4.644 ( -3.000 -1.330 2.096) 3.894 4.893 ( 0.763 1.954 -1.959) 2.871 4.925 ( 0.931 -1.221 -1.087) 1.881 5.021 ( -0.264 1.592 1.464) 2.179 5.028 ( 0.477 1.015 1.375) 1.775 5.193 ( -2.262 2.034 -1.057) 3.221 5.220 ( -0.181 -0.278 0.928) 0.986 5.280 ( 1.467 -2.188 -0.508) 2.683 5.302 ( 1.700 -2.600 -1.201) 3.331 5.440 ( 0.492 1.933 -2.688) 3.347 5.476 ( 0.916 -1.531 -2.822) 3.338 5.528 ( 0.214 1.272 -0.235) 1.310 5.559 ( 1.517 -1.668 -1.774) 2.869 5.765 ( 0.872 0.879 -1.678) 2.085 5.791 ( 1.165 -1.637 -1.563) 2.545 5.953 ( 1.307 2.122 -1.202) 2.767 5.971 ( 0.929 0.321 -0.471) 1.090 6.056 ( 1.156 2.493 -0.601) 2.813 6.116 ( 0.865 -3.154 -1.818) 3.742 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 1.803 0.000 18.997) 19.083 0.907 ( -0.961 0.000 20.433) 20.456 1.546 ( 0.604 0.000 30.277) 30.283 1.711 ( -3.404 0.000 -8.503) 9.159 1.835 ( -0.725 0.000 -4.080) 4.144 2.007 ( 2.498 0.000 4.322) 4.992 2.110 ( -2.907 0.000 2.270) 3.688 2.250 ( 3.907 0.000 2.100) 4.436 2.383 ( 0.683 0.000 -2.122) 2.230 2.392 ( 0.535 0.000 -1.441) 1.537 2.472 ( -1.504 0.000 -0.157) 1.512 2.535 ( -1.337 0.000 -5.464) 5.626 2.610 ( 1.216 0.000 -0.394) 1.278 2.660 ( 2.867 0.000 2.504) 3.806 2.718 ( 1.672 0.000 -3.614) 3.982 2.835 ( -0.616 0.000 -2.681) 2.751 3.007 ( -0.562 0.000 2.117) 2.190 3.076 ( 0.312 0.000 7.561) 7.567 3.091 ( 2.202 0.000 3.157) 3.849 3.148 ( 1.493 0.000 -0.716) 1.656 3.397 ( -7.446 0.000 -0.385) 7.455 3.585 ( 5.530 0.000 -5.091) 7.516 3.693 ( -3.867 0.000 -9.950) 10.675 3.985 ( -0.641 0.000 -8.120) 8.145 4.225 ( -0.253 0.000 4.754) 4.761 4.258 ( -1.616 0.000 -0.057) 1.617 4.305 ( 4.969 0.000 -1.313) 5.140 4.543 ( -1.080 0.000 0.216) 1.101 4.602 ( -5.494 0.000 5.231) 7.586 4.720 ( 4.464 0.000 -3.355) 5.585 4.794 ( 1.733 0.000 7.555) 7.751 4.869 ( -0.021 0.000 -2.936) 2.936 4.907 ( 2.202 0.000 -2.627) 3.428 5.023 ( -0.010 0.000 1.248) 1.248 5.071 ( -1.538 0.000 0.566) 1.639 5.162 ( -4.389 0.000 -2.374) 4.989 5.270 ( -0.333 0.000 0.203) 0.390 5.378 ( 0.574 0.000 -0.216) 0.613 5.382 ( 0.703 0.000 1.748) 1.884 5.482 ( -0.609 0.000 -3.658) 3.708 5.609 ( 0.705 0.000 1.745) 1.882 5.747 ( 1.126 0.000 0.962) 1.481 5.819 ( 0.607 0.000 0.380) 0.716 5.842 ( 2.070 0.000 0.495) 2.128 5.852 ( 1.511 0.000 -1.371) 2.040 5.905 ( -0.629 0.000 -1.623) 1.740 5.965 ( 1.870 0.000 2.736) 3.314 6.047 ( -4.385 0.000 0.399) 4.403 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 2.851 0.000 15.756) 16.012 1.018 ( 7.532 0.000 17.152) 18.733 1.579 ( -7.456 0.000 -7.697) 10.716 1.720 ( 9.676 0.000 20.055) 22.267 1.843 ( 2.299 0.000 -2.593) 3.465 2.031 ( -0.754 0.000 2.794) 2.894 2.060 ( -2.853 0.000 7.396) 7.927 2.322 ( 2.523 0.000 4.863) 5.479 2.368 ( -1.833 0.000 -3.002) 3.517 2.387 ( 0.164 0.000 -1.973) 1.980 2.439 ( -2.228 0.000 2.514) 3.359 2.535 ( 3.035 0.000 -8.863) 9.369 2.561 ( -6.141 0.000 1.780) 6.394 2.746 ( 4.663 0.000 3.621) 5.904 2.757 ( 1.307 0.000 -5.072) 5.238 2.822 ( -0.227 0.000 -0.951) 0.978 2.994 ( -0.815 0.000 -0.272) 0.859 3.045 ( -3.553 0.000 5.511) 6.557 3.150 ( 2.351 0.000 3.079) 3.874 3.190 ( 0.025 0.000 3.287) 3.287 3.269 ( -3.420 0.000 -3.184) 4.673 3.616 ( -1.736 0.000 -3.124) 3.574 3.628 ( 0.307 0.000 -13.366) 13.369 3.923 ( -3.623 0.000 -7.039) 7.917 4.230 ( -0.249 0.000 4.568) 4.575 4.243 ( 0.093 0.000 -0.118) 0.151 4.385 ( 2.707 0.000 -1.511) 3.101 4.505 ( -4.660 0.000 5.417) 7.146 4.537 ( 0.644 0.000 -0.811) 1.035 4.805 ( 4.777 0.000 -2.376) 5.335 4.829 ( 0.336 0.000 8.221) 8.228 4.898 ( 2.840 0.000 -3.626) 4.606 4.921 ( -0.619 0.000 -3.678) 3.730 4.987 ( -2.366 0.000 2.478) 3.426 5.042 ( -1.457 0.000 0.339) 1.496 5.095 ( -1.491 0.000 -1.107) 1.857 5.272 ( -0.374 0.000 1.824) 1.862 5.359 ( -2.472 0.000 -2.661) 3.632 5.429 ( 2.817 0.000 2.965) 4.089 5.476 ( 0.973 0.000 -2.116) 2.329 5.621 ( 0.079 0.000 1.727) 1.728 5.757 ( -0.308 0.000 -0.781) 0.840 5.844 ( 1.672 0.000 1.655) 2.353 5.855 ( -1.382 0.000 -0.519) 1.476 5.877 ( 1.265 0.000 -1.299) 1.814 5.900 ( 0.610 0.000 -2.390) 2.467 5.989 ( -0.678 0.000 -1.620) 1.756 5.990 ( 0.102 0.000 3.250) 3.252 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 9.446 0.000 7.840) 12.276 1.218 ( 8.833 0.000 10.013) 13.353 1.436 ( -5.060 0.000 -3.733) 6.288 1.838 ( 0.568 0.000 -5.711) 5.739 1.907 ( 1.056 0.000 4.597) 4.717 1.992 ( -4.184 0.000 3.906) 5.724 2.121 ( 8.353 0.000 20.714) 22.334 2.303 ( -7.096 0.000 0.879) 7.151 2.324 ( -1.926 0.000 -4.451) 4.849 2.384 ( 0.010 0.000 -1.550) 1.550 2.406 ( -1.723 0.000 4.286) 4.619 2.484 ( 0.775 0.000 7.042) 7.084 2.607 ( 6.028 0.000 -8.560) 10.470 2.728 ( -3.410 0.000 -1.309) 3.653 2.786 ( -4.054 0.000 1.739) 4.411 2.837 ( 3.688 0.000 5.354) 6.501 2.975 ( -0.711 0.000 -2.297) 2.404 2.993 ( -3.241 0.000 4.501) 5.546 3.126 ( -3.031 0.000 -1.384) 3.332 3.180 ( 0.106 0.000 0.105) 0.149 3.295 ( 3.597 0.000 -1.832) 4.037 3.510 ( -8.059 0.000 -1.898) 8.280 3.658 ( 5.459 0.000 -14.727) 15.707 3.833 ( -4.426 0.000 -5.032) 6.701 4.226 ( -1.540 0.000 4.194) 4.468 4.256 ( 0.973 0.000 0.823) 1.274 4.370 ( -2.570 0.000 5.357) 5.941 4.499 ( 2.252 0.000 -1.213) 2.558 4.567 ( 2.881 0.000 -2.725) 3.966 4.836 ( -2.220 0.000 7.801) 8.111 4.879 ( 0.324 0.000 -1.903) 1.930 4.884 ( 1.259 0.000 -4.828) 4.990 4.906 ( -1.087 0.000 2.717) 2.926 5.002 ( -2.590 0.000 -2.331) 3.485 5.007 ( 3.821 0.000 -3.180) 4.971 5.105 ( 1.865 0.000 1.412) 2.340 5.261 ( -0.811 0.000 2.203) 2.347 5.302 ( -2.305 0.000 -2.120) 3.132 5.474 ( 0.884 0.000 3.230) 3.349 5.493 ( 1.040 0.000 -1.518) 1.840 5.619 ( -0.700 0.000 1.779) 1.912 5.740 ( -1.154 0.000 -0.977) 1.512 5.821 ( -1.485 0.000 -0.100) 1.489 5.867 ( -3.126 0.000 0.340) 3.144 5.872 ( 0.578 0.000 0.508) 0.770 5.892 ( 0.589 0.000 -1.531) 1.641 5.985 ( -1.247 0.000 3.465) 3.683 6.034 ( 5.025 0.000 -6.995) 8.613 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 11.434 0.000 2.062) 11.619 1.294 ( -1.333 0.000 -1.502) 2.008 1.445 ( 3.684 0.000 7.923) 8.738 1.769 ( -5.024 0.000 -1.168) 5.158 1.887 ( -6.640 0.000 4.372) 7.950 1.934 ( 1.178 0.000 1.642) 2.021 2.181 ( -3.381 0.000 -0.211) 3.388 2.273 ( -2.090 0.000 -3.692) 4.242 2.345 ( 8.459 0.000 11.518) 14.291 2.382 ( 0.059 0.000 -0.322) 0.327 2.403 ( 1.025 0.000 5.046) 5.150 2.560 ( 2.181 0.000 5.676) 6.081 2.631 ( -5.171 0.000 5.841) 7.801 2.699 ( 3.961 0.000 -4.889) 6.292 2.700 ( -4.553 0.000 4.698) 6.542 2.892 ( -0.084 0.000 6.582) 6.582 2.932 ( -3.072 0.000 -0.057) 3.073 2.965 ( 0.114 0.000 -4.658) 4.660 3.109 ( 1.107 0.000 -4.918) 5.041 3.153 ( -1.343 0.000 -2.559) 2.889 3.350 ( -7.019 0.000 -1.378) 7.153 3.371 ( 4.568 0.000 -0.313) 4.579 3.738 ( -4.439 0.000 -3.155) 5.446 3.742 ( 5.663 0.000 -12.461) 13.688 4.189 ( -2.808 0.000 4.668) 5.448 4.276 ( 0.774 0.000 2.038) 2.180 4.367 ( 0.930 0.000 5.696) 5.771 4.540 ( 2.001 0.000 -1.375) 2.428 4.627 ( 3.758 0.000 -4.952) 6.217 4.759 ( -6.408 0.000 4.745) 7.974 4.837 ( -1.736 0.000 -5.451) 5.721 4.913 ( 0.385 0.000 5.357) 5.371 4.922 ( 0.760 0.000 -1.581) 1.754 4.948 ( -1.465 0.000 -4.521) 4.753 5.061 ( 1.875 0.000 -3.721) 4.167 5.151 ( 2.183 0.000 2.476) 3.301 5.268 ( 1.473 0.000 1.423) 2.048 5.275 ( -0.216 0.000 -0.748) 0.779 5.474 ( -1.275 0.000 2.390) 2.709 5.510 ( 1.093 0.000 -0.930) 1.435 5.601 ( -1.546 0.000 2.029) 2.551 5.716 ( -0.993 0.000 -0.323) 1.044 5.800 ( -1.763 0.000 0.041) 1.763 5.815 ( -1.108 0.000 0.770) 1.350 5.863 ( -1.067 0.000 -2.612) 2.821 5.893 ( -0.397 0.000 -0.125) 0.416 5.961 ( -1.973 0.000 2.610) 3.272 6.116 ( 4.845 0.000 -7.240) 8.712 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -2.227 0.000 1.782) 2.853 1.347 ( -4.510 0.000 0.317) 4.521 1.469 ( -2.489 0.000 5.212) 5.776 1.751 ( 5.217 0.000 0.095) 5.218 1.839 ( 1.485 0.000 2.563) 2.962 1.946 ( -0.539 0.000 6.506) 6.528 2.162 ( -0.654 0.000 2.697) 2.775 2.229 ( -1.412 0.000 -3.412) 3.693 2.380 ( -2.123 0.000 4.567) 5.037 2.418 ( 2.122 0.000 -0.504) 2.182 2.470 ( -3.446 0.000 0.776) 3.533 2.499 ( 1.724 0.000 4.283) 4.616 2.623 ( -1.611 0.000 2.467) 2.946 2.687 ( -4.896 0.000 -0.523) 4.924 2.729 ( 5.065 0.000 8.954) 10.288 2.840 ( -3.552 0.000 6.811) 7.682 2.884 ( -1.895 0.000 -1.200) 2.243 2.956 ( -0.675 0.000 0.697) 0.970 3.126 ( 1.621 0.000 -5.679) 5.905 3.169 ( 0.066 0.000 -3.035) 3.036 3.288 ( 3.942 0.000 -6.877) 7.927 3.460 ( 4.427 0.000 1.071) 4.555 3.659 ( -2.830 0.000 -3.601) 4.580 3.808 ( 3.687 0.000 -9.655) 10.335 4.154 ( -1.778 0.000 5.443) 5.726 4.293 ( 0.538 0.000 2.529) 2.586 4.417 ( 2.562 0.000 6.182) 6.692 4.562 ( 0.041 0.000 -1.486) 1.486 4.644 ( -5.304 0.000 3.726) 6.482 4.667 ( 1.290 0.000 -6.378) 6.507 4.783 ( -2.644 0.000 -6.539) 7.054 4.925 ( 1.333 0.000 -1.969) 2.377 4.927 ( -0.261 0.000 5.551) 5.557 4.935 ( -0.091 0.000 -3.115) 3.116 5.060 ( -0.826 0.000 -3.379) 3.479 5.191 ( 1.324 0.000 2.698) 3.006 5.289 ( 1.751 0.000 -0.413) 1.799 5.312 ( 2.075 0.000 0.094) 2.078 5.448 ( -1.481 0.000 1.359) 2.010 5.531 ( 1.057 0.000 -0.137) 1.066 5.573 ( -1.722 0.000 2.894) 3.368 5.709 ( 0.469 0.000 0.564) 0.734 5.766 ( -1.063 0.000 0.116) 1.069 5.822 ( 0.898 0.000 0.916) 1.283 5.831 ( -1.298 0.000 -3.753) 3.971 5.875 ( -1.491 0.000 0.403) 1.545 5.920 ( -2.641 0.000 0.636) 2.716 6.180 ( 3.160 0.000 -6.244) 6.998 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -14.124 0.000 1.704) 14.227 1.238 ( -0.599 0.000 2.601) 2.670 1.418 ( -2.180 0.000 3.154) 3.834 1.805 ( -3.127 0.000 3.541) 4.724 1.912 ( 4.042 0.000 3.699) 5.479 2.016 ( 6.088 0.000 11.162) 12.714 2.110 ( -4.578 0.000 4.479) 6.405 2.205 ( -0.636 0.000 -2.976) 3.043 2.337 ( -0.887 0.000 2.124) 2.302 2.367 ( -11.882 0.000 1.318) 11.955 2.465 ( 2.787 0.000 -3.324) 4.338 2.509 ( 3.520 0.000 -0.314) 3.534 2.636 ( 3.592 0.000 3.009) 4.685 2.643 ( -1.045 0.000 5.643) 5.738 2.800 ( 0.010 0.000 -1.503) 1.503 2.830 ( -0.350 0.000 6.622) 6.632 2.875 ( 1.114 0.000 7.411) 7.494 2.908 ( -4.386 0.000 -2.885) 5.250 3.144 ( 1.503 0.000 -5.339) 5.547 3.164 ( 3.211 0.000 -5.555) 6.417 3.372 ( 1.082 0.000 -5.243) 5.354 3.533 ( 2.662 0.000 1.742) 3.181 3.654 ( 5.499 0.000 -8.501) 10.124 3.843 ( 1.893 0.000 -7.647) 7.878 4.145 ( -0.477 0.000 6.277) 6.295 4.307 ( 0.274 0.000 2.356) 2.372 4.424 ( -4.948 0.000 4.067) 6.405 4.560 ( 3.256 0.000 3.240) 4.593 4.624 ( 1.108 0.000 1.466) 1.837 4.655 ( -0.685 0.000 -5.926) 5.965 4.715 ( -2.777 0.000 -6.826) 7.369 4.901 ( -1.946 0.000 -1.267) 2.322 4.924 ( -1.241 0.000 5.868) 5.997 4.985 ( 4.118 0.000 -2.174) 4.657 5.032 ( -1.177 0.000 -3.598) 3.785 5.209 ( 0.083 0.000 2.416) 2.418 5.323 ( -0.913 0.000 -0.844) 1.243 5.337 ( 3.374 0.000 -1.010) 3.522 5.431 ( -0.527 0.000 0.693) 0.871 5.539 ( -0.661 0.000 0.901) 1.118 5.562 ( -0.033 0.000 3.962) 3.962 5.739 ( 2.287 0.000 1.370) 2.666 5.761 ( 0.264 0.000 0.532) 0.594 5.805 ( -0.559 0.000 -3.806) 3.847 5.840 ( -1.886 0.000 -0.393) 1.927 5.847 ( 1.535 0.000 0.727) 1.699 5.870 ( -2.290 0.000 -0.395) 2.324 6.208 ( 1.008 0.000 -5.081) 5.180 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -12.417 0.000 6.760) 14.138 1.149 ( -10.125 0.000 11.496) 15.319 1.500 ( 10.391 0.000 -5.042) 11.549 1.706 ( -8.254 0.000 14.890) 17.024 1.951 ( -1.156 0.000 6.475) 6.577 2.036 ( -8.084 0.000 5.318) 9.677 2.098 ( 3.067 0.000 0.471) 3.103 2.191 ( -1.298 0.000 -0.175) 1.310 2.254 ( 2.597 0.000 4.792) 5.450 2.345 ( 1.086 0.000 -0.164) 1.098 2.501 ( 1.401 0.000 -3.663) 3.922 2.543 ( 0.951 0.000 -0.806) 1.247 2.623 ( -2.178 0.000 4.221) 4.750 2.754 ( 2.526 0.000 -1.857) 3.135 2.766 ( -6.499 0.000 -0.136) 6.500 2.780 ( 2.963 0.000 1.692) 3.412 2.883 ( 2.617 0.000 0.895) 2.766 2.911 ( 0.833 0.000 7.993) 8.036 3.157 ( 0.826 0.000 -4.579) 4.653 3.260 ( 1.705 0.000 -3.760) 4.128 3.298 ( 0.049 0.000 -7.896) 7.896 3.560 ( -0.420 0.000 1.636) 1.689 3.808 ( 10.510 0.000 -10.534) 14.881 3.843 ( -0.522 0.000 -7.123) 7.142 4.163 ( 0.900 0.000 6.454) 6.517 4.310 ( -0.451 0.000 1.932) 1.985 4.320 ( -5.377 0.000 2.619) 5.981 4.623 ( -1.983 0.000 -2.428) 3.135 4.650 ( 2.749 0.000 5.276) 5.950 4.660 ( -0.920 0.000 -7.000) 7.060 4.660 ( 3.057 0.000 2.055) 3.684 4.868 ( -0.788 0.000 -1.971) 2.123 4.920 ( 0.182 0.000 5.286) 5.289 4.992 ( -2.584 0.000 -3.910) 4.686 5.056 ( 3.218 0.000 -0.935) 3.351 5.211 ( 0.035 0.000 1.162) 1.162 5.294 ( -1.217 0.000 -0.440) 1.294 5.407 ( 4.005 0.000 -1.589) 4.308 5.426 ( -0.400 0.000 -0.149) 0.427 5.495 ( -4.219 0.000 1.366) 4.434 5.578 ( 0.578 0.000 2.874) 2.932 5.765 ( -0.632 0.000 -1.697) 1.810 5.773 ( 0.682 0.000 2.762) 2.845 5.796 ( 0.097 0.000 -0.194) 0.217 5.827 ( 0.493 0.000 -0.234) 0.546 5.850 ( 1.485 0.000 -0.549) 1.583 5.881 ( 1.801 0.000 -0.181) 1.810 6.195 ( -1.473 0.000 -3.936) 4.203 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -2.397 0.000 15.487) 15.671 0.975 ( -9.640 0.000 17.797) 20.240 1.579 ( -8.756 0.000 26.922) 28.310 1.690 ( 8.229 0.000 -8.481) 11.818 1.895 ( -5.373 0.000 -0.906) 5.449 1.951 ( 0.781 0.000 5.978) 6.029 2.156 ( -2.201 0.000 0.164) 2.207 2.172 ( 4.057 0.000 0.007) 4.057 2.342 ( 4.000 0.000 3.582) 5.369 2.368 ( 1.313 0.000 -1.487) 1.983 2.499 ( -0.768 0.000 -2.645) 2.754 2.566 ( 2.134 0.000 -1.310) 2.505 2.582 ( -2.499 0.000 0.824) 2.631 2.662 ( -3.368 0.000 -1.159) 3.561 2.728 ( -1.364 0.000 -1.567) 2.077 2.845 ( 0.532 0.000 -2.119) 2.185 2.959 ( 4.173 0.000 3.440) 5.408 2.990 ( 5.144 0.000 9.794) 11.063 3.132 ( -6.353 0.000 -0.892) 6.416 3.153 ( -0.324 0.000 -3.584) 3.599 3.448 ( 9.600 0.000 -7.399) 12.121 3.516 ( -4.556 0.000 0.788) 4.623 3.788 ( -3.490 0.000 -7.966) 8.697 3.955 ( 6.221 0.000 -9.901) 11.693 4.207 ( 2.138 0.000 5.066) 5.499 4.253 ( -1.565 0.000 2.133) 2.646 4.293 ( -1.732 0.000 0.909) 1.956 4.575 ( -2.316 0.000 0.142) 2.321 4.662 ( 2.338 0.000 -5.385) 5.870 4.665 ( -1.570 0.000 2.608) 3.044 4.733 ( 2.720 0.000 7.492) 7.971 4.872 ( 1.639 0.000 -2.621) 3.091 4.918 ( -3.690 0.000 -3.569) 5.133 4.969 ( 3.701 0.000 2.826) 4.657 5.088 ( 0.039 0.000 0.377) 0.379 5.218 ( -0.129 0.000 -1.612) 1.618 5.282 ( -0.343 0.000 -0.305) 0.459 5.400 ( -4.002 0.000 1.396) 4.239 5.402 ( -1.989 0.000 -0.724) 2.116 5.476 ( 2.339 0.000 -2.961) 3.773 5.592 ( 0.582 0.000 1.709) 1.805 5.740 ( -0.877 0.000 0.005) 0.877 5.801 ( 1.519 0.000 3.781) 4.075 5.808 ( 0.713 0.000 0.496) 0.868 5.832 ( 0.815 0.000 -2.150) 2.299 5.906 ( 0.840 0.000 -1.100) 1.384 5.910 ( 3.275 0.000 1.854) 3.763 6.134 ( -4.063 0.000 -1.998) 4.528 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 1.637 10.016 16.601) 19.458 1.002 ( 0.268 9.039 16.695) 18.987 1.643 ( -0.044 5.867 9.890) 11.499 1.759 ( -1.023 6.926 2.617) 7.474 1.893 ( -0.342 5.557 -2.858) 6.258 2.029 ( 1.477 2.992 6.072) 6.928 2.113 ( -2.764 0.093 1.395) 3.098 2.184 ( 3.971 -6.710 2.174) 8.094 2.309 ( 0.223 -7.037 -0.439) 7.054 2.359 ( -0.573 -3.018 -3.279) 4.493 2.444 ( -0.799 -2.943 -2.430) 3.900 2.483 ( -0.661 -1.833 0.519) 2.016 2.562 ( 0.743 -2.271 -0.510) 2.443 2.691 ( 1.420 0.489 2.505) 2.921 2.797 ( 0.216 1.862 -5.632) 5.936 2.847 ( -0.858 4.116 -0.793) 4.278 2.977 ( 1.134 -2.127 4.074) 4.734 3.035 ( 1.500 1.197 2.688) 3.303 3.124 ( -0.676 -1.256 -2.047) 2.495 3.231 ( 1.762 6.070 4.602) 7.818 3.382 ( -3.958 -0.630 1.578) 4.307 3.553 ( 2.109 -3.297 -3.846) 5.487 3.615 ( -4.125 -6.786 -7.185) 10.709 3.991 ( 1.419 -0.796 -6.556) 6.755 4.230 ( 0.456 3.451 -0.663) 3.543 4.266 ( -0.018 1.038 -0.125) 1.046 4.345 ( 1.045 3.246 2.460) 4.205 4.570 ( -5.245 0.734 4.550) 6.983 4.654 ( 0.769 3.001 3.916) 4.993 4.719 ( 3.865 -2.177 -1.031) 4.554 4.794 ( 0.796 -0.690 1.411) 1.760 4.876 ( -0.050 5.460 -2.170) 5.876 4.936 ( 0.896 1.381 -3.926) 4.257 5.024 ( -2.045 -0.245 0.690) 2.172 5.086 ( 1.000 2.107 1.280) 2.660 5.169 ( -4.070 0.521 -1.566) 4.392 5.280 ( -0.466 1.111 -0.789) 1.440 5.345 ( 1.529 -1.664 -0.450) 2.304 5.399 ( -0.300 -0.182 0.978) 1.039 5.472 ( -0.715 -1.300 -4.120) 4.379 5.584 ( 1.015 -2.774 1.690) 3.404 5.680 ( 1.240 -5.540 2.920) 6.384 5.778 ( 2.352 -1.407 -1.529) 3.138 5.798 ( 0.227 -1.283 -1.809) 2.230 5.917 ( 0.468 2.232 -0.922) 2.460 5.945 ( 1.748 1.437 1.256) 2.588 5.979 ( 0.911 2.279 -0.055) 2.454 6.058 ( -4.181 0.991 -0.004) 4.297 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 2.085 9.349 13.439) 16.504 1.102 ( 6.408 8.155 14.427) 17.769 1.611 ( -4.423 3.462 -6.685) 8.732 1.808 ( 4.347 6.378 5.770) 9.637 1.911 ( 2.514 6.983 3.843) 8.358 2.029 ( -2.641 0.747 3.299) 4.291 2.081 ( -0.218 1.959 7.831) 8.075 2.265 ( 2.911 -5.524 4.934) 7.958 2.312 ( -0.400 -4.913 -1.363) 5.114 2.337 ( 0.190 -6.748 -3.049) 7.408 2.416 ( -1.875 -1.717 -1.260) 2.837 2.488 ( 1.408 -0.677 -1.970) 2.515 2.538 ( -3.147 -2.105 -1.360) 4.023 2.748 ( 1.967 0.145 4.034) 4.490 2.762 ( -0.970 -2.916 -0.960) 3.220 2.833 ( -1.271 1.402 -0.984) 2.132 2.989 ( -0.495 0.822 -0.426) 1.050 3.043 ( -1.599 0.600 1.712) 2.418 3.136 ( 1.535 -0.778 0.536) 1.803 3.248 ( 0.219 0.997 1.753) 2.028 3.293 ( -5.318 4.018 2.934) 7.282 3.555 ( 1.244 -4.392 -8.412) 9.571 3.586 ( 0.677 -3.160 -4.297) 5.376 3.966 ( -2.648 2.290 -5.718) 6.704 4.232 ( 0.420 3.092 0.106) 3.122 4.288 ( 1.418 1.350 0.380) 1.995 4.384 ( 2.585 0.247 -0.508) 2.646 4.476 ( -5.258 2.534 5.651) 8.124 4.672 ( 0.577 5.754 1.841) 6.069 4.772 ( 0.221 -2.716 5.374) 6.025 4.825 ( 3.552 -3.142 -2.993) 5.608 4.884 ( 1.075 3.020 -1.399) 3.498 4.931 ( -0.851 0.478 -4.312) 4.422 4.982 ( -1.615 0.017 1.796) 2.416 5.080 ( -1.875 2.235 0.634) 2.985 5.107 ( -1.304 1.910 -0.783) 2.442 5.277 ( -0.289 0.679 0.846) 1.123 5.342 ( -2.038 -1.720 -2.048) 3.362 5.431 ( 2.599 0.206 1.962) 3.263 5.457 ( 0.344 -2.454 -3.348) 4.165 5.604 ( 0.559 -1.809 1.945) 2.715 5.708 ( 1.046 -6.046 1.759) 6.383 5.785 ( -0.301 0.320 -2.516) 2.554 5.842 ( 3.420 -1.565 -1.379) 4.006 5.910 ( -1.113 1.057 -0.994) 1.829 5.963 ( -0.758 4.172 -1.607) 4.534 5.986 ( -0.342 -0.363 3.126) 3.166 5.995 ( -0.930 0.550 -1.298) 1.689 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 6.708 5.694 6.991) 11.238 1.281 ( 8.604 6.198 9.942) 14.536 1.500 ( -4.719 6.462 -4.726) 9.293 1.855 ( -0.369 1.665 -5.302) 5.569 1.933 ( -2.458 0.098 3.435) 4.225 1.981 ( -1.969 1.364 4.697) 5.273 2.157 ( 2.140 0.881 11.793) 12.017 2.256 ( -2.993 -4.538 -0.485) 5.458 2.301 ( 0.818 1.495 1.759) 2.449 2.382 ( 2.978 -3.956 0.504) 4.977 2.387 ( 0.399 -3.902 2.053) 4.427 2.459 ( -2.918 0.671 2.983) 4.226 2.547 ( 4.638 -3.161 -5.966) 8.192 2.690 ( -5.155 -4.804 2.002) 7.326 2.770 ( -4.139 -1.773 1.777) 4.841 2.849 ( 4.241 1.262 5.627) 7.159 2.956 ( -2.511 -0.435 -3.031) 3.960 3.015 ( -0.501 0.956 -1.369) 1.743 3.141 ( -1.969 2.676 0.663) 3.388 3.223 ( -1.179 1.447 1.513) 2.403 3.273 ( 2.534 -2.116 -1.049) 3.464 3.530 ( -4.573 2.834 0.244) 5.386 3.633 ( 6.308 -0.808 -11.121) 12.811 3.879 ( -4.874 3.066 -4.379) 7.234 4.243 ( -0.066 2.415 1.599) 2.897 4.305 ( 0.091 3.483 1.218) 3.691 4.396 ( -1.728 -0.326 4.936) 5.240 4.454 ( 2.884 2.630 -1.635) 4.232 4.684 ( 0.518 6.061 -0.690) 6.122 4.771 ( -1.224 -4.179 6.170) 7.552 4.877 ( -1.357 -0.259 0.816) 1.605 4.891 ( 0.281 -1.053 -3.398) 3.568 4.908 ( 2.270 1.095 -3.612) 4.404 4.986 ( 1.408 -1.192 -0.483) 1.907 5.032 ( -2.574 1.153 -0.450) 2.857 5.110 ( 0.951 1.312 0.791) 1.804 5.272 ( -0.154 1.123 0.972) 1.494 5.292 ( -2.059 -1.232 -1.979) 3.111 5.462 ( 0.578 -1.690 -0.472) 1.848 5.472 ( 0.904 -1.714 0.990) 2.175 5.611 ( -0.295 -0.836 2.057) 2.240 5.722 ( 0.068 -4.515 0.930) 4.611 5.770 ( -0.728 0.150 -1.465) 1.643 5.864 ( -3.277 0.150 0.099) 3.282 5.894 ( 1.978 -0.021 -1.284) 2.358 5.924 ( -2.260 2.165 -1.099) 3.317 5.983 ( -0.980 0.094 3.285) 3.430 6.023 ( 3.988 -1.007 -6.538) 7.724 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 8.439 1.658 1.263) 8.693 1.390 ( -0.121 7.830 0.137) 7.833 1.476 ( 3.222 3.102 6.283) 7.712 1.777 ( -5.600 0.830 -1.070) 5.761 1.855 ( -4.735 -2.406 4.219) 6.783 1.984 ( -0.322 4.339 1.214) 4.517 2.105 ( -2.992 -5.320 2.719) 6.682 2.229 ( -1.438 -3.878 -2.165) 4.668 2.382 ( 0.019 0.011 -0.722) 0.722 2.394 ( 4.466 3.241 4.995) 7.443 2.436 ( 0.954 0.903 2.111) 2.487 2.465 ( 0.762 -8.177 5.467) 9.865 2.560 ( -4.625 -5.860 4.532) 8.733 2.659 ( 5.642 -3.862 -4.700) 8.297 2.691 ( -4.110 -0.685 4.489) 6.125 2.884 ( -3.326 -1.886 -4.674) 6.039 2.945 ( 3.020 3.875 8.669) 9.964 3.009 ( 0.116 2.517 -3.556) 4.358 3.118 ( 1.108 2.212 -3.881) 4.602 3.223 ( 0.070 3.060 -1.605) 3.456 3.337 ( 3.150 -1.268 1.573) 3.742 3.415 ( -6.047 5.659 1.381) 8.397 3.717 ( 2.501 0.872 -8.010) 8.436 3.790 ( -1.831 1.896 -3.765) 4.596 4.225 ( -1.862 3.600 2.850) 4.955 4.316 ( 0.872 2.785 1.823) 3.441 4.398 ( 0.630 2.942 4.823) 5.685 4.511 ( 3.083 0.031 -1.824) 3.582 4.684 ( -0.759 1.837 -0.711) 2.110 4.743 ( -2.818 -0.283 2.535) 3.802 4.820 ( -2.754 -0.696 -3.177) 4.262 4.892 ( 0.664 0.072 -0.466) 0.814 4.940 ( 0.051 -0.462 -2.626) 2.667 4.985 ( -1.803 2.214 1.402) 3.180 5.031 ( 3.265 -2.388 -4.478) 6.035 5.135 ( 1.156 -0.995 2.781) 3.172 5.267 ( -0.206 -0.492 0.059) 0.537 5.287 ( 1.700 1.083 -0.523) 2.082 5.459 ( -1.382 -1.063 2.251) 2.847 5.487 ( 1.202 -2.576 -0.428) 2.874 5.601 ( -1.226 -0.008 1.694) 2.091 5.717 ( -0.583 -1.155 0.045) 1.294 5.757 ( -0.576 -2.759 0.752) 2.917 5.806 ( -2.201 0.494 -0.395) 2.290 5.872 ( -2.685 0.186 -1.985) 3.344 5.912 ( 0.396 0.946 -1.396) 1.732 5.962 ( -1.830 0.357 2.109) 2.815 6.095 ( 4.598 -2.111 -6.933) 8.583 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -1.438 4.940 1.666) 5.409 1.364 ( -4.739 2.285 0.734) 5.311 1.518 ( -2.503 4.137 3.939) 6.236 1.741 ( 5.662 -1.416 -0.182) 5.839 1.835 ( 0.878 -0.929 4.763) 4.932 1.934 ( -4.105 -1.955 4.567) 6.445 2.120 ( 1.930 -1.498 4.078) 4.754 2.192 ( -1.567 -2.674 -1.530) 3.456 2.360 ( -5.967 -3.726 1.730) 7.244 2.401 ( 1.505 -0.987 0.155) 1.807 2.440 ( 1.099 -1.777 -1.483) 2.562 2.469 ( -0.620 -2.969 0.877) 3.157 2.583 ( 2.267 -4.292 4.520) 6.632 2.637 ( -2.790 0.057 4.003) 4.880 2.748 ( 3.214 -1.477 0.481) 3.570 2.828 ( -0.895 -0.351 -3.488) 3.618 2.981 ( 0.447 1.788 -0.433) 1.893 3.024 ( 0.418 7.173 4.850) 8.668 3.132 ( -0.297 3.865 -3.960) 5.541 3.198 ( -2.680 3.366 0.484) 4.330 3.326 ( 1.869 3.552 -2.888) 4.945 3.440 ( 4.243 -1.731 1.780) 4.916 3.672 ( -2.789 1.487 -4.075) 5.158 3.821 ( 3.359 1.049 -5.379) 6.428 4.201 ( -1.178 4.532 3.316) 5.738 4.333 ( 0.200 3.097 1.742) 3.559 4.437 ( 2.142 1.748 6.368) 6.943 4.551 ( 0.876 0.357 -1.445) 1.727 4.636 ( -3.226 -0.233 2.826) 4.295 4.700 ( -1.371 2.211 -4.553) 5.244 4.774 ( -1.527 -0.899 -4.986) 5.292 4.913 ( 0.833 -0.529 0.403) 1.066 4.924 ( 0.266 -0.746 -2.804) 2.914 4.953 ( -2.250 0.864 3.100) 3.927 5.068 ( 1.113 1.075 -4.995) 5.229 5.171 ( 2.092 -2.011 2.513) 3.839 5.280 ( 1.322 -0.294 1.182) 1.798 5.322 ( 1.597 0.076 -1.572) 2.242 5.432 ( -1.507 -1.294 2.059) 2.861 5.517 ( 1.749 -1.338 1.304) 2.559 5.572 ( -1.875 -0.089 1.598) 2.465 5.712 ( 0.428 -0.149 0.113) 0.467 5.733 ( -1.995 -3.506 1.050) 4.168 5.799 ( 1.023 -0.130 -0.516) 1.153 5.823 ( -1.613 -0.318 -2.406) 2.914 5.907 ( -0.521 1.282 -1.654) 2.156 5.921 ( -2.784 0.329 0.570) 2.860 6.157 ( 3.143 -2.308 -5.862) 7.040 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -12.363 3.762 2.337) 13.133 1.308 ( -0.210 6.630 1.572) 6.818 1.448 ( -3.021 2.930 3.470) 5.455 1.771 ( -5.500 -3.665 7.329) 9.869 1.895 ( 4.103 -1.279 3.421) 5.493 1.985 ( 7.181 -3.339 2.664) 8.355 2.116 ( -1.992 0.746 4.959) 5.396 2.201 ( 1.756 0.564 -1.217) 2.210 2.277 ( -2.794 -4.292 0.989) 5.216 2.379 ( -5.838 -2.125 -0.379) 6.224 2.451 ( 2.095 -0.475 -3.077) 3.753 2.491 ( 3.274 -2.646 -0.425) 4.231 2.596 ( -1.400 -0.829 2.859) 3.290 2.633 ( 2.571 -1.143 3.535) 4.518 2.794 ( 0.706 -2.537 2.918) 3.930 2.817 ( -0.237 1.161 -2.316) 2.601 2.945 ( -5.633 7.052 6.648) 11.209 3.004 ( -1.829 6.667 1.232) 7.022 3.113 ( 0.878 -2.490 -4.453) 5.178 3.211 ( 4.236 3.557 -2.984) 6.285 3.369 ( 0.110 -0.190 -4.091) 4.097 3.517 ( 3.144 -1.166 1.663) 3.743 3.643 ( 1.939 -0.125 -6.356) 6.646 3.870 ( 2.839 2.112 -4.154) 5.456 4.194 ( -0.395 4.903 3.914) 6.287 4.327 ( -1.157 1.887 1.967) 2.961 4.460 ( -2.855 3.006 4.757) 6.310 4.556 ( 2.253 -0.867 2.290) 3.328 4.636 ( 1.882 1.933 1.226) 2.963 4.662 ( -1.305 0.520 -4.428) 4.645 4.738 ( -0.863 1.787 -6.112) 6.426 4.884 ( -2.350 -1.218 -1.105) 2.868 4.924 ( -1.342 -0.174 4.884) 5.068 4.973 ( 3.486 -0.911 -1.274) 3.822 5.062 ( -0.370 2.339 -3.556) 4.272 5.208 ( 1.206 -0.122 0.344) 1.260 5.306 ( -0.096 -0.928 -0.007) 0.933 5.341 ( 2.128 -0.590 -1.691) 2.782 5.418 ( -0.485 -0.837 1.979) 2.203 5.547 ( -0.283 0.446 0.906) 1.049 5.551 ( 0.134 -1.240 3.856) 4.053 5.691 ( -2.524 -5.586 0.994) 6.210 5.742 ( 2.443 -0.003 0.959) 2.624 5.793 ( -0.311 -1.154 -4.196) 4.363 5.834 ( 1.740 1.374 -0.002) 2.217 5.866 ( -2.555 0.151 -0.265) 2.573 5.894 ( -0.070 1.613 -1.451) 2.171 6.187 ( 1.127 -2.142 -4.598) 5.196 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -10.460 7.101 7.129) 14.515 1.210 ( -10.347 5.814 11.644) 16.627 1.528 ( 9.748 2.817 -4.646) 11.160 1.704 ( -3.053 0.174 10.177) 10.626 1.937 ( -0.671 -0.590 2.621) 2.769 2.051 ( 1.286 -1.994 0.528) 2.431 2.100 ( -3.524 1.235 3.738) 5.284 2.211 ( -3.740 0.370 1.673) 4.114 2.254 ( 3.823 1.188 4.273) 5.856 2.330 ( 0.956 -1.714 -1.184) 2.292 2.468 ( 0.687 -2.381 -3.423) 4.226 2.510 ( -1.270 -2.813 -0.078) 3.088 2.593 ( -0.831 -3.323 1.803) 3.871 2.710 ( 1.690 -0.493 1.857) 2.559 2.758 ( -1.082 0.688 -0.103) 1.286 2.827 ( 2.093 -0.912 2.669) 3.513 2.894 ( -0.848 5.558 6.103) 8.298 2.980 ( -0.313 3.930 0.133) 3.945 3.131 ( 1.441 -1.871 -4.860) 5.404 3.290 ( -4.022 -1.150 -5.042) 6.551 3.311 ( 4.359 2.967 -3.344) 6.244 3.547 ( -0.134 -0.687 1.393) 1.559 3.710 ( 4.340 -5.110 -5.776) 8.849 3.907 ( 2.153 2.738 -5.749) 6.722 4.201 ( 0.236 4.410 3.893) 5.887 4.307 ( -1.124 1.945 2.668) 3.488 4.392 ( -3.893 4.078 1.404) 5.810 4.603 ( 0.862 -3.497 3.578) 5.076 4.639 ( 0.399 -0.084 -1.709) 1.757 4.684 ( 0.616 2.047 1.384) 2.547 4.729 ( 2.083 5.688 -4.010) 7.264 4.844 ( -0.966 -0.849 -1.849) 2.252 4.927 ( 0.962 0.351 4.411) 4.529 5.014 ( -0.060 0.987 -2.642) 2.821 5.057 ( 1.121 1.142 -1.093) 1.938 5.224 ( 0.850 1.104 -1.055) 1.748 5.281 ( -1.285 -1.388 -0.772) 2.043 5.397 ( 2.204 -1.341 -1.406) 2.938 5.415 ( 0.320 -0.104 0.570) 0.662 5.517 ( -2.947 1.393 0.713) 3.337 5.563 ( 0.033 -1.593 3.021) 3.415 5.653 ( -1.393 -7.653 2.125) 8.064 5.771 ( -1.160 -1.321 -2.944) 3.429 5.792 ( 1.587 -0.181 0.719) 1.752 5.844 ( 1.240 -0.085 -0.361) 1.294 5.867 ( 1.682 2.340 -0.580) 2.940 5.913 ( 2.044 2.134 -0.769) 3.054 6.179 ( -1.040 -1.555 -3.399) 3.880 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -1.342 9.952 14.099) 17.310 1.047 ( -8.324 7.184 16.240) 19.613 1.641 ( -0.932 4.002 9.473) 10.326 1.735 ( 5.074 4.942 -1.687) 7.281 1.913 ( -1.069 1.335 -1.666) 2.387 2.004 ( -3.070 5.707 9.009) 11.098 2.117 ( 2.917 -5.108 1.089) 5.982 2.161 ( -2.296 -0.042 -0.138) 2.300 2.304 ( 0.520 -3.381 2.878) 4.470 2.357 ( 1.427 -1.261 -2.867) 3.442 2.463 ( -0.609 -4.125 -2.665) 4.948 2.491 ( -0.278 -2.516 1.883) 3.155 2.560 ( -1.565 -1.843 -0.275) 2.433 2.684 ( -1.026 0.425 2.216) 2.479 2.784 ( 1.781 2.722 -6.779) 7.519 2.877 ( -1.867 4.488 1.380) 5.053 2.915 ( 4.342 -2.633 6.025) 7.879 3.008 ( 1.260 1.334 4.522) 4.880 3.146 ( 0.821 0.653 -3.244) 3.410 3.193 ( -1.919 2.395 -1.230) 3.306 3.399 ( 3.171 -3.431 -3.623) 5.912 3.535 ( -0.504 0.969 -0.159) 1.103 3.713 ( -3.209 -6.592 -4.374) 8.537 3.950 ( 3.876 -0.379 -7.799) 8.717 4.216 ( 0.609 2.707 1.779) 3.296 4.290 ( -1.587 4.501 1.084) 4.894 4.340 ( -1.459 2.425 2.686) 3.902 4.625 ( 1.213 -0.552 3.226) 3.491 4.647 ( -3.010 1.140 2.233) 3.917 4.664 ( 1.549 -1.340 -1.497) 2.537 4.774 ( 1.323 3.207 1.656) 3.844 4.854 ( 2.453 2.288 -3.073) 4.549 4.954 ( -1.079 1.269 -2.176) 2.740 5.005 ( 2.501 4.039 0.157) 4.753 5.073 ( -0.031 -1.213 1.123) 1.653 5.228 ( -1.040 0.742 -1.541) 2.001 5.277 ( 1.198 -0.607 -1.484) 2.001 5.361 ( -3.268 -0.933 -0.075) 3.399 5.432 ( -2.216 -0.347 -0.292) 2.262 5.476 ( 0.737 0.282 -2.661) 2.775 5.567 ( 0.189 -2.576 1.636) 3.057 5.654 ( 0.623 -6.686 3.600) 7.619 5.753 ( 0.180 -1.498 -1.181) 1.916 5.802 ( 0.070 -0.994 -1.467) 1.774 5.890 ( 2.459 2.104 0.844) 3.345 5.905 ( 2.101 0.899 0.342) 2.310 5.952 ( 1.981 2.831 -0.823) 3.552 6.133 ( -3.199 -0.274 -1.909) 3.735 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 1.547 14.492 10.816) 18.149 1.225 ( 1.645 13.353 11.660) 17.804 1.729 ( -0.663 4.318 -4.840) 6.520 1.865 ( 2.765 1.001 1.582) 3.339 1.997 ( 5.236 1.302 -4.742) 7.183 2.001 ( -0.041 -8.961 2.566) 9.321 2.076 ( 0.410 -3.760 -1.168) 3.959 2.173 ( -0.957 1.919 5.380) 5.792 2.240 ( -5.119 3.119 2.276) 6.412 2.264 ( 0.395 -0.113 1.516) 1.571 2.409 ( 0.064 0.151 -1.743) 1.751 2.481 ( 0.574 0.479 -0.260) 0.792 2.516 ( -0.268 -2.463 -2.485) 3.509 2.696 ( 0.462 -0.416 1.057) 1.226 2.788 ( -3.137 1.574 2.250) 4.169 2.919 ( -3.799 2.064 2.309) 4.901 3.019 ( 3.635 1.603 -2.931) 4.936 3.044 ( 0.850 3.070 3.458) 4.702 3.096 ( -0.674 -1.845 -1.086) 2.244 3.271 ( -2.558 -1.833 0.804) 3.248 3.400 ( 8.306 0.322 2.561) 8.698 3.461 ( -2.260 -7.186 -2.595) 7.967 3.517 ( -5.940 0.619 2.311) 6.404 3.917 ( 0.952 -7.173 -0.949) 7.298 4.297 ( 1.437 3.549 -0.189) 3.834 4.359 ( -2.214 5.382 -1.334) 5.971 4.418 ( 0.506 5.928 1.016) 6.036 4.597 ( -0.216 0.447 4.543) 4.570 4.621 ( -0.320 -3.554 4.458) 5.710 4.671 ( 0.906 -1.334 1.124) 1.966 4.817 ( 0.012 1.714 -1.171) 2.076 4.943 ( 0.300 -0.598 -3.814) 3.873 4.994 ( 0.293 5.058 -0.925) 5.150 5.019 ( -1.999 0.434 1.973) 2.842 5.134 ( -0.716 1.032 1.289) 1.800 5.196 ( -1.243 2.396 -1.731) 3.207 5.301 ( 0.683 -0.358 -3.170) 3.262 5.325 ( -1.103 0.536 0.261) 1.254 5.363 ( 0.874 -2.574 -0.767) 2.824 5.437 ( -1.133 -2.572 -2.676) 3.880 5.509 ( 1.021 -3.247 -1.253) 3.627 5.594 ( 1.060 -3.834 0.250) 3.986 5.753 ( 2.680 -1.002 -2.477) 3.784 5.784 ( 1.506 -0.569 -3.863) 4.184 5.951 ( 0.301 1.226 0.794) 1.491 5.967 ( 1.038 1.484 1.925) 2.643 6.021 ( 0.237 1.733 -0.870) 1.954 6.077 ( -2.673 0.763 -1.005) 2.956 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.836 13.739 8.870) 16.375 1.307 ( 4.639 12.470 10.073) 16.688 1.703 ( -0.602 5.356 -6.628) 8.543 1.902 ( 0.774 1.572 -1.135) 2.088 1.965 ( -2.620 -1.414 -0.317) 2.994 2.068 ( -1.906 -0.403 1.746) 2.616 2.111 ( 5.086 -5.260 0.197) 7.320 2.159 ( -0.815 -5.490 3.477) 6.549 2.173 ( -1.593 -1.443 -0.371) 2.181 2.296 ( 2.104 3.921 3.211) 5.487 2.395 ( -1.569 0.903 -0.539) 1.889 2.483 ( -0.237 -1.290 -2.596) 2.909 2.514 ( 0.782 0.637 -0.150) 1.020 2.677 ( -3.765 -4.810 -1.426) 6.273 2.768 ( 0.776 2.311 6.185) 6.648 2.848 ( -3.061 1.003 2.195) 3.898 3.008 ( -4.134 -2.350 0.897) 4.839 3.031 ( -1.544 0.006 -5.091) 5.320 3.120 ( 2.081 -1.824 3.580) 4.525 3.219 ( -1.445 -2.159 0.546) 2.655 3.383 ( -6.412 4.415 4.123) 8.809 3.512 ( 7.145 0.482 -4.531) 8.474 3.557 ( 5.516 0.793 2.063) 5.942 3.932 ( 0.010 -6.707 -0.426) 6.721 4.297 ( -1.520 3.325 -2.143) 4.238 4.351 ( 1.967 4.409 0.680) 4.875 4.415 ( -1.043 3.996 0.773) 4.202 4.581 ( -0.783 6.132 2.463) 6.654 4.633 ( -0.292 -3.816 7.344) 8.281 4.721 ( 3.527 -6.007 -0.197) 6.969 4.816 ( 0.028 2.045 -0.880) 2.227 4.921 ( -1.108 -0.155 -4.127) 4.276 4.989 ( -0.730 2.898 -1.602) 3.391 4.991 ( -1.400 3.139 2.636) 4.331 5.089 ( -3.394 0.138 1.364) 3.660 5.177 ( -0.682 2.773 -2.048) 3.514 5.288 ( -1.327 -1.464 -1.560) 2.518 5.314 ( -0.504 0.978 -0.774) 1.346 5.375 ( 0.649 -3.845 -3.171) 5.026 5.439 ( 1.358 -1.018 0.028) 1.697 5.540 ( 2.182 -4.023 -0.002) 4.576 5.606 ( 0.516 -4.102 0.842) 4.219 5.794 ( 1.630 -0.231 -3.713) 4.062 5.824 ( 3.457 0.014 -3.765) 5.111 5.933 ( -2.209 1.217 0.196) 2.529 5.978 ( -0.807 -0.251 2.542) 2.679 6.009 ( -0.938 0.983 -0.638) 1.501 6.024 ( -2.175 2.040 -1.423) 3.304 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 1.342 10.108 5.276) 11.481 1.440 ( 6.397 9.817 7.861) 14.110 1.663 ( -2.518 9.112 -6.170) 11.289 1.874 ( -4.450 -4.529 1.680) 6.568 1.902 ( -3.325 2.118 -3.115) 5.024 2.033 ( -1.115 1.565 4.674) 5.053 2.140 ( -2.089 -0.599 -1.459) 2.618 2.163 ( 0.520 -4.562 -1.600) 4.863 2.201 ( 2.788 -10.488 5.578) 12.201 2.309 ( 0.067 -2.427 -4.118) 4.780 2.396 ( 2.004 2.885 3.826) 5.194 2.466 ( -0.880 -0.345 -0.507) 1.072 2.547 ( 2.730 2.150 -0.691) 3.543 2.573 ( -7.117 -6.202 0.412) 9.449 2.738 ( -3.421 -0.819 1.696) 3.905 2.881 ( 2.710 1.283 4.311) 5.251 2.919 ( -2.713 -4.105 -1.176) 5.059 3.010 ( 1.015 -0.825 -5.160) 5.323 3.166 ( 2.185 -1.889 3.899) 4.852 3.243 ( 2.728 -1.116 0.472) 2.985 3.284 ( -4.071 8.347 4.565) 10.348 3.615 ( -0.032 4.961 3.808) 6.254 3.659 ( 7.825 3.091 -4.818) 9.695 3.893 ( -3.931 -2.822 -1.237) 4.995 4.286 ( 0.883 1.279 -0.792) 1.744 4.351 ( -2.384 1.759 2.222) 3.703 4.431 ( 2.953 5.574 0.465) 6.325 4.584 ( 0.230 8.095 0.970) 8.156 4.638 ( -0.524 -4.680 6.484) 8.014 4.770 ( 0.382 -2.469 -0.296) 2.516 4.832 ( 2.609 -2.083 -1.680) 3.738 4.894 ( -0.432 -1.197 -3.769) 3.978 4.948 ( -3.544 -1.423 -0.897) 3.923 4.979 ( -0.427 6.268 0.610) 6.312 5.041 ( -1.451 0.886 1.513) 2.276 5.155 ( -1.228 1.630 -0.861) 2.215 5.250 ( -1.743 -2.697 -1.489) 3.539 5.306 ( 0.029 1.915 -1.670) 2.542 5.393 ( 1.768 -3.529 -1.867) 4.366 5.454 ( -0.380 -1.666 1.936) 2.582 5.577 ( 1.247 -2.811 1.923) 3.627 5.629 ( 1.597 -3.462 0.114) 3.814 5.795 ( -0.989 1.354 -2.049) 2.647 5.870 ( -2.131 -0.277 -1.851) 2.837 5.884 ( 1.269 -0.068 -1.975) 2.348 5.943 ( -2.642 0.137 0.882) 2.789 5.996 ( -1.084 0.916 0.914) 1.688 6.004 ( 1.331 -0.642 -4.800) 5.022 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 5.711 4.557 1.814) 7.528 1.533 ( 0.725 4.973 4.646) 6.844 1.588 ( -3.968 9.471 -1.818) 10.428 1.779 ( -5.016 -2.294 2.582) 6.090 1.824 ( -3.213 1.078 0.406) 3.413 2.010 ( -5.571 -4.019 2.455) 7.295 2.085 ( 0.536 5.069 0.083) 5.098 2.175 ( 0.883 -1.085 -1.863) 2.330 2.250 ( 0.700 -11.246 3.848) 11.907 2.342 ( 3.098 -5.964 -3.155) 7.424 2.421 ( -5.806 -2.511 -1.361) 6.470 2.442 ( 1.252 1.244 2.684) 3.212 2.466 ( 0.451 -2.325 2.030) 3.119 2.611 ( 4.039 -1.182 -3.732) 5.625 2.691 ( -1.942 0.843 2.635) 3.380 2.834 ( -2.142 -3.192 -5.281) 6.532 2.988 ( 3.447 0.319 5.634) 6.613 3.035 ( 2.026 -0.071 -3.351) 3.916 3.211 ( 0.230 2.368 1.851) 3.014 3.242 ( 1.717 2.974 0.075) 3.435 3.330 ( 4.350 2.579 4.775) 6.955 3.571 ( -5.130 8.843 4.983) 11.373 3.772 ( 4.526 3.906 -4.773) 7.650 3.798 ( -4.629 -0.989 -0.486) 4.758 4.310 ( -0.438 4.320 1.080) 4.475 4.322 ( 1.002 -1.461 1.774) 2.507 4.484 ( 1.532 5.782 1.671) 6.210 4.590 ( 0.657 6.622 0.614) 6.683 4.642 ( -0.290 -2.988 4.158) 5.129 4.752 ( -1.328 0.267 -0.470) 1.433 4.819 ( -3.771 -1.369 -3.322) 5.209 4.891 ( -0.877 -3.267 -1.429) 3.672 4.926 ( 2.572 -5.214 -1.209) 5.938 4.964 ( -1.254 5.354 -2.573) 6.071 5.040 ( 1.560 1.691 1.164) 2.579 5.134 ( -1.066 0.399 1.284) 1.716 5.234 ( 0.474 -2.744 -0.519) 2.832 5.310 ( 0.681 0.760 -0.906) 1.364 5.421 ( -0.168 -2.984 1.253) 3.241 5.447 ( 1.013 -0.884 0.921) 1.630 5.590 ( -0.628 -1.440 1.778) 2.373 5.655 ( 0.911 -2.879 0.129) 3.022 5.755 ( -2.285 0.805 -0.571) 2.489 5.815 ( -2.228 -0.084 -1.564) 2.724 5.871 ( -2.152 0.336 -1.102) 2.441 5.926 ( 0.358 0.709 -2.156) 2.297 5.971 ( -1.775 0.276 0.269) 1.816 6.043 ( 3.473 -3.063 -5.831) 7.446 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -1.518 2.819 1.759) 3.653 1.477 ( -2.866 9.007 0.264) 9.456 1.589 ( 0.842 1.832 1.996) 2.837 1.698 ( 0.409 -1.460 0.263) 1.539 1.793 ( -4.287 -2.564 7.973) 9.409 1.889 ( -4.292 -2.368 1.254) 5.060 2.138 ( 3.456 1.475 1.311) 3.980 2.173 ( -0.522 0.679 -2.140) 2.305 2.229 ( -2.679 -8.056 0.150) 8.491 2.345 ( -0.543 -4.644 -0.461) 4.699 2.407 ( 2.482 -0.947 -1.901) 3.266 2.451 ( -0.097 0.816 -0.538) 0.982 2.519 ( 3.431 -2.311 3.257) 5.265 2.642 ( -1.627 -1.772 -0.217) 2.415 2.699 ( 3.814 -1.111 -2.285) 4.583 2.810 ( 0.460 -1.127 -4.446) 4.610 3.020 ( 0.007 1.904 -0.270) 1.923 3.077 ( 1.647 0.843 0.911) 2.062 3.211 ( 0.614 2.307 0.863) 2.539 3.277 ( -0.421 1.699 1.655) 2.409 3.418 ( 1.658 0.767 3.743) 4.164 3.472 ( -3.549 10.861 5.103) 12.514 3.707 ( -3.414 1.397 -2.244) 4.317 3.848 ( 3.532 2.047 -1.414) 4.321 4.306 ( 0.269 4.937 1.924) 5.305 4.356 ( 1.339 -0.134 1.097) 1.736 4.485 ( -1.675 2.940 4.529) 5.653 4.608 ( 0.176 4.562 -0.382) 4.581 4.651 ( 0.923 1.997 1.872) 2.889 4.726 ( -2.444 0.804 -2.140) 3.346 4.752 ( -0.306 -1.160 -2.478) 2.754 4.882 ( -0.360 -2.779 -0.082) 2.804 4.924 ( -1.492 -0.660 -1.483) 2.205 4.945 ( -0.124 -0.661 -1.517) 1.659 5.098 ( 2.204 1.775 -2.984) 4.112 5.127 ( 1.704 -1.899 2.640) 3.672 5.260 ( 1.874 -2.185 0.116) 2.881 5.324 ( 0.499 0.737 0.292) 0.936 5.402 ( -1.057 -1.775 2.699) 3.399 5.491 ( 2.177 -1.611 1.610) 3.150 5.560 ( -2.156 -0.927 0.729) 2.458 5.653 ( -1.578 -3.148 0.195) 3.527 5.726 ( -0.350 0.579 -0.259) 0.724 5.779 ( -0.900 -1.501 -2.948) 3.429 5.853 ( 0.704 2.899 -0.685) 3.061 5.915 ( -1.301 0.156 -2.170) 2.535 5.931 ( -1.936 0.271 -1.259) 2.325 6.095 ( 2.927 -3.933 -4.858) 6.902 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -8.390 6.193 2.961) 10.840 1.464 ( -0.309 8.469 0.913) 8.523 1.523 ( -3.836 4.817 3.916) 7.298 1.706 ( -3.318 -1.666 7.714) 8.561 1.856 ( 8.745 -4.871 0.053) 10.010 1.877 ( 2.688 -6.164 1.047) 6.805 2.132 ( -2.402 1.958 0.433) 3.129 2.169 ( -2.361 -6.211 -2.150) 6.983 2.227 ( 3.606 -0.949 -1.499) 4.019 2.343 ( 0.188 -0.010 1.579) 1.590 2.440 ( -0.042 -2.109 -3.066) 3.721 2.450 ( 1.351 1.717 0.699) 2.294 2.560 ( -1.559 -3.173 0.129) 3.538 2.633 ( 3.081 -0.289 1.060) 3.271 2.767 ( 2.065 -0.588 0.187) 2.155 2.823 ( 2.580 -0.691 -4.547) 5.273 3.017 ( -0.501 1.600 -2.082) 2.673 3.065 ( -2.148 0.412 -1.487) 2.645 3.195 ( -6.659 7.466 8.390) 13.056 3.257 ( 2.179 0.653 2.301) 3.236 3.369 ( -3.496 1.499 -0.132) 3.806 3.512 ( 2.400 1.151 1.191) 2.916 3.665 ( -0.603 2.118 -0.300) 2.223 3.910 ( 2.927 1.672 -0.861) 3.479 4.318 ( 0.371 7.145 1.464) 7.303 4.367 ( -0.578 1.718 1.017) 2.079 4.474 ( 0.042 -1.892 7.245) 7.489 4.563 ( -4.183 2.517 -1.551) 5.122 4.666 ( -2.070 -0.779 -1.943) 2.944 4.698 ( 2.481 3.876 0.592) 4.640 4.778 ( 2.371 3.016 -3.096) 4.930 4.864 ( -1.335 -1.310 -0.089) 1.872 4.910 ( -0.034 -1.256 0.284) 1.288 4.961 ( 2.760 -0.344 -0.237) 2.792 5.101 ( 0.355 1.500 -1.231) 1.973 5.194 ( 2.885 -1.263 -3.461) 4.679 5.297 ( 2.020 -2.197 0.845) 3.102 5.318 ( -0.777 1.053 -0.441) 1.380 5.404 ( 0.236 -1.068 3.818) 3.971 5.496 ( -1.686 -4.393 1.980) 5.105 5.556 ( 0.860 0.357 1.884) 2.101 5.599 ( -3.394 -3.082 -0.693) 4.637 5.741 ( 1.545 -0.052 -0.401) 1.597 5.770 ( 0.515 -1.012 -3.503) 3.683 5.865 ( -2.096 0.667 -1.335) 2.573 5.883 ( 1.186 2.220 -0.683) 2.608 5.912 ( 0.742 0.677 -2.327) 2.535 6.129 ( 1.489 -3.752 -3.525) 5.359 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -6.038 11.266 7.186) 14.663 1.353 ( -8.729 8.733 10.077) 15.937 1.600 ( 7.772 4.085 -3.341) 9.394 1.719 ( 2.742 1.042 3.778) 4.783 1.885 ( 0.262 -5.810 2.636) 6.386 2.008 ( 3.382 -4.311 -3.007) 6.251 2.080 ( -1.791 -0.984 -1.027) 2.287 2.148 ( 0.324 -2.096 1.707) 2.723 2.270 ( 1.206 -4.407 -2.632) 5.273 2.370 ( 1.553 5.927 3.426) 7.020 2.424 ( -1.014 -1.213 -2.351) 2.833 2.452 ( -1.192 -1.986 0.402) 2.351 2.530 ( -0.286 -3.013 -1.331) 3.306 2.706 ( 2.896 -1.398 -0.887) 3.336 2.783 ( 0.787 1.829 -0.007) 1.991 2.865 ( -0.071 4.685 4.097) 6.224 2.994 ( 1.916 1.916 2.506) 3.691 3.038 ( -1.841 1.369 -0.157) 2.300 3.117 ( -1.344 3.960 0.085) 4.183 3.242 ( -4.804 -3.398 -1.319) 6.030 3.336 ( 0.816 -0.251 -0.615) 1.052 3.540 ( 0.332 -0.930 0.654) 1.185 3.664 ( -0.685 0.981 2.542) 2.810 3.936 ( -0.064 -0.202 -1.395) 1.411 4.321 ( -0.845 6.192 0.191) 6.252 4.353 ( -0.456 2.480 3.011) 3.927 4.477 ( -3.588 5.142 -1.417) 6.428 4.511 ( 1.666 -4.432 7.094) 8.529 4.630 ( -1.140 -1.264 -1.161) 2.060 4.724 ( -0.603 1.877 0.442) 2.020 4.816 ( 1.729 2.303 -1.896) 3.449 4.851 ( 1.125 0.587 -2.132) 2.481 4.934 ( 2.357 0.994 0.735) 2.662 5.030 ( 3.500 1.447 1.728) 4.163 5.108 ( 0.008 3.494 -1.946) 3.999 5.215 ( 1.499 -2.576 -4.885) 5.723 5.277 ( -1.810 1.772 -0.586) 2.600 5.370 ( 3.585 -1.628 -1.495) 4.212 5.407 ( -1.078 -1.524 2.942) 3.484 5.471 ( -1.638 -7.215 2.817) 7.917 5.524 ( -2.355 -0.508 -1.357) 2.765 5.571 ( -0.833 -0.425 1.152) 1.484 5.742 ( -1.011 -1.305 -2.705) 3.169 5.782 ( 0.287 -1.070 -1.459) 1.832 5.855 ( 2.071 1.237 -0.193) 2.420 5.904 ( 1.932 1.115 -1.444) 2.657 5.952 ( 2.837 2.360 -0.905) 3.800 6.137 ( 0.023 -2.781 -2.334) 3.631 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.547 14.507 10.633) 17.995 1.235 ( -5.345 11.739 11.814) 17.492 1.715 ( 3.757 4.252 -2.289) 6.119 1.802 ( 4.249 0.121 -0.208) 4.256 1.903 ( 2.675 -5.755 -0.218) 6.350 2.013 ( -0.323 -1.576 -0.900) 1.844 2.072 ( 0.263 -3.825 -1.635) 4.168 2.166 ( 0.385 2.425 4.366) 5.009 2.267 ( -0.552 -5.595 -1.590) 5.843 2.340 ( -5.423 6.366 5.100) 9.795 2.408 ( 0.568 -0.336 -3.386) 3.450 2.465 ( 1.374 -2.313 -0.261) 2.703 2.524 ( -0.208 -1.458 -1.644) 2.207 2.704 ( -1.727 1.046 2.386) 3.126 2.811 ( 1.298 3.427 -1.474) 3.949 2.905 ( 3.639 1.799 5.185) 6.585 2.990 ( -1.894 3.637 -0.196) 4.105 3.044 ( -0.720 4.522 5.345) 7.038 3.124 ( -1.605 -2.441 -2.726) 3.996 3.206 ( 6.795 -1.854 -3.422) 7.831 3.334 ( -1.024 -3.525 -0.609) 3.721 3.524 ( -2.360 -4.047 0.286) 4.693 3.621 ( -4.776 -0.002 3.636) 6.002 3.918 ( -0.793 -3.894 -1.702) 4.323 4.291 ( -1.026 3.147 -0.582) 3.361 4.373 ( 0.842 3.904 3.731) 5.465 4.425 ( -1.740 7.450 -1.845) 7.869 4.561 ( 1.915 -3.572 6.317) 7.505 4.619 ( -0.003 -2.523 0.300) 2.541 4.692 ( -2.303 1.924 1.113) 3.201 4.821 ( -0.205 1.647 -0.269) 1.681 4.905 ( 3.827 0.073 -3.378) 5.105 4.980 ( 1.827 2.564 -0.511) 3.190 5.061 ( -2.124 0.771 1.779) 2.876 5.107 ( 2.203 4.863 -0.819) 5.401 5.230 ( -1.209 -0.578 -0.159) 1.349 5.269 ( 2.517 0.212 -4.639) 5.282 5.367 ( -2.937 -0.946 1.778) 3.561 5.382 ( -1.909 -2.182 -1.935) 3.486 5.460 ( -0.122 -4.007 -1.162) 4.174 5.503 ( 0.005 -1.647 -1.492) 2.222 5.567 ( 0.930 -2.383 0.907) 2.714 5.726 ( 0.438 -1.128 -2.166) 2.482 5.777 ( 0.141 -1.630 -2.702) 3.159 5.912 ( 2.914 1.385 1.536) 3.574 5.942 ( 1.768 1.724 -0.279) 2.486 6.000 ( 2.137 2.234 -1.021) 3.256 6.120 ( -1.404 -1.137 -1.492) 2.343 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 1.812 14.567 4.958) 15.494 1.492 ( 2.006 13.516 8.315) 15.996 1.718 ( 1.334 -9.494 0.959) 9.635 1.759 ( 1.933 -12.142 4.281) 13.019 1.886 ( 2.042 5.044 -1.576) 5.665 1.994 ( 1.288 -4.352 -3.933) 6.006 2.041 ( 1.333 1.493 -3.031) 3.633 2.106 ( -0.598 -5.899 -2.465) 6.421 2.240 ( -1.449 5.541 -0.793) 5.782 2.349 ( -1.102 -3.797 -1.534) 4.241 2.445 ( 0.786 1.810 -4.096) 4.547 2.473 ( 2.071 -0.862 -3.155) 3.871 2.553 ( -0.876 6.159 0.185) 6.224 2.647 ( -1.421 -3.795 -1.220) 4.232 2.935 ( -6.605 10.428 7.373) 14.378 2.960 ( -2.616 2.329 2.319) 4.201 3.005 ( -0.162 -2.328 0.270) 2.349 3.051 ( -1.074 -0.298 0.790) 1.366 3.128 ( -5.884 2.206 0.505) 6.305 3.218 ( -3.400 -3.296 3.164) 5.696 3.334 ( 5.762 -4.157 0.750) 7.145 3.354 ( 11.710 -3.689 -0.661) 12.295 3.599 ( -4.383 6.081 7.606) 10.679 3.745 ( -2.010 -9.132 6.052) 11.138 4.372 ( 1.559 4.120 0.469) 4.430 4.422 ( -0.371 0.367 -0.121) 0.536 4.516 ( -1.489 1.636 -1.531) 2.690 4.550 ( -0.221 -2.896 -0.073) 2.906 4.610 ( 0.506 4.083 5.064) 6.524 4.681 ( -0.897 -1.039 3.958) 4.190 4.843 ( 1.036 2.420 -3.108) 4.073 4.907 ( 1.420 -3.053 -2.476) 4.179 5.050 ( -3.046 2.813 2.995) 5.115 5.077 ( -0.501 2.268 3.412) 4.127 5.139 ( -0.274 0.202 -0.721) 0.798 5.170 ( -1.420 -3.909 -2.618) 4.914 5.288 ( -0.178 0.061 -2.147) 2.155 5.320 ( 0.701 -1.870 0.778) 2.143 5.376 ( -0.753 1.720 -1.373) 2.327 5.388 ( -0.162 -0.393 -4.652) 4.671 5.487 ( 0.326 0.268 -2.938) 2.969 5.523 ( 0.802 -3.243 -1.946) 3.866 5.748 ( 2.791 0.456 -4.114) 4.992 5.766 ( 2.831 -1.216 -4.517) 5.468 5.974 ( 0.246 1.045 1.067) 1.514 5.985 ( 0.300 0.098 0.932) 0.983 6.054 ( -0.444 1.706 -0.077) 1.764 6.079 ( -1.177 -0.664 -0.751) 1.546 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.018 14.014 4.361) 14.677 1.557 ( 3.158 12.312 6.667) 14.353 1.741 ( 0.675 -6.597 -0.351) 6.641 1.783 ( -0.038 -8.577 1.221) 8.663 1.929 ( 2.852 -0.116 1.136) 3.072 1.995 ( 0.022 -4.367 -3.317) 5.484 2.068 ( 1.334 -0.379 -2.003) 2.436 2.094 ( -0.669 -3.203 -1.413) 3.564 2.196 ( -2.231 6.818 -2.757) 7.686 2.328 ( -0.356 -4.534 -1.141) 4.689 2.420 ( -3.014 3.045 -2.194) 4.814 2.495 ( 0.140 -2.375 -1.267) 2.696 2.542 ( 0.003 4.147 -2.208) 4.699 2.602 ( -2.985 -2.420 -1.556) 4.146 2.831 ( -5.592 3.639 3.341) 7.462 2.903 ( -2.031 4.388 3.424) 5.925 2.921 ( -7.271 -5.260 0.666) 8.999 2.995 ( -3.062 -3.892 -2.807) 5.692 3.113 ( 2.034 2.622 5.474) 6.401 3.180 ( 0.410 -2.844 2.697) 3.941 3.485 ( 3.266 6.618 1.750) 7.585 3.545 ( 9.381 1.063 -0.042) 9.441 3.594 ( 4.292 2.938 6.698) 8.480 3.740 ( -0.206 -11.376 6.547) 13.127 4.367 ( -2.335 3.491 -1.574) 4.485 4.408 ( -1.156 0.442 0.386) 1.296 4.494 ( 0.637 3.514 0.461) 3.601 4.582 ( 2.711 -4.007 0.747) 4.896 4.625 ( 0.345 1.512 3.858) 4.158 4.675 ( -0.324 -0.235 2.611) 2.641 4.858 ( 0.863 3.339 -2.455) 4.233 4.905 ( -1.222 -1.372 -3.101) 3.604 4.993 ( -3.742 1.504 2.817) 4.919 5.063 ( -1.360 -1.990 2.979) 3.832 5.115 ( -1.336 2.756 -0.497) 3.103 5.158 ( -0.049 -2.008 -3.448) 3.990 5.263 ( -1.629 0.960 -1.479) 2.400 5.331 ( 0.495 -2.358 -0.703) 2.510 5.365 ( -0.409 1.352 -2.904) 3.229 5.380 ( 0.296 -1.984 -1.575) 2.550 5.507 ( 2.129 0.215 -1.475) 2.599 5.538 ( 1.390 -2.874 -0.139) 3.196 5.796 ( 2.907 0.775 -4.877) 5.731 5.817 ( 3.088 -0.989 -4.976) 5.939 5.955 ( -2.344 1.076 0.850) 2.715 5.972 ( -1.881 -0.580 1.154) 2.282 6.032 ( -1.592 1.212 0.139) 2.006 6.045 ( -2.036 0.090 -0.811) 2.194 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -3.120 11.945 3.348) 12.792 1.617 ( -0.402 3.576 2.955) 4.656 1.729 ( -0.115 -3.216 2.241) 3.921 1.792 ( 0.860 -0.453 -3.589) 3.718 1.952 ( -1.681 1.658 -2.784) 3.650 2.014 ( 1.820 -6.766 2.896) 7.582 2.051 ( -3.942 1.444 3.714) 5.605 2.090 ( 1.596 -2.812 -0.709) 3.311 2.174 ( 1.109 4.709 -6.069) 7.761 2.319 ( -2.538 -6.308 -1.806) 7.036 2.343 ( -1.748 3.216 0.502) 3.695 2.452 ( -4.431 -5.098 0.575) 6.779 2.521 ( -1.345 2.842 -2.348) 3.924 2.568 ( 0.260 -1.019 -2.951) 3.133 2.749 ( -2.816 1.937 0.760) 3.501 2.811 ( -3.454 -4.610 -1.003) 5.848 2.918 ( 2.378 1.862 2.468) 3.900 2.970 ( 0.982 -3.077 -2.427) 4.040 3.170 ( 2.553 2.094 5.099) 6.074 3.213 ( 1.881 -1.960 2.350) 3.592 3.497 ( -0.783 12.677 7.218) 14.609 3.681 ( 0.741 -0.336 6.364) 6.415 3.716 ( 7.072 1.941 0.463) 7.348 3.766 ( 2.716 -8.021 1.388) 8.581 4.320 ( -1.652 2.574 -0.613) 3.120 4.366 ( -2.431 -1.247 0.377) 2.758 4.547 ( 3.934 5.615 2.051) 7.156 4.613 ( -0.212 2.586 2.709) 3.751 4.663 ( 2.275 -4.545 1.844) 5.407 4.688 ( 1.966 -1.521 0.849) 2.627 4.845 ( -2.093 1.106 -2.661) 3.561 4.857 ( -2.502 -1.720 -3.303) 4.486 4.922 ( -3.646 3.491 0.216) 5.052 5.037 ( -2.010 -3.860 -0.145) 4.354 5.114 ( 1.233 3.377 1.312) 3.827 5.145 ( -0.293 -0.250 -0.586) 0.701 5.217 ( -2.892 1.931 -1.864) 3.946 5.311 ( -1.658 -3.104 -3.482) 4.950 5.370 ( 1.292 0.615 -0.246) 1.452 5.395 ( 1.051 -2.607 1.474) 3.174 5.548 ( 2.103 0.462 0.351) 2.182 5.580 ( 2.479 -2.258 0.153) 3.357 5.818 ( -0.393 1.248 -3.064) 3.331 5.845 ( -0.108 -1.542 -3.750) 4.057 5.905 ( -1.625 1.509 -0.847) 2.374 5.932 ( -1.390 -1.162 -0.526) 1.886 6.003 ( -1.239 0.362 -1.731) 2.160 6.007 ( -1.660 0.127 -0.345) 1.700 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.114 6.985 2.129) 7.303 1.553 ( -4.029 -4.467 1.448) 6.187 1.758 ( -3.932 5.238 -2.716) 7.090 1.762 ( 0.752 2.934 -0.665) 3.101 1.880 ( -4.932 4.028 0.520) 6.389 1.945 ( -6.676 -2.705 4.779) 8.644 2.054 ( 0.298 -5.733 3.535) 6.742 2.099 ( -0.935 -5.975 -0.108) 6.049 2.204 ( 3.434 4.353 -5.101) 7.534 2.292 ( 1.603 -1.090 -1.094) 2.226 2.335 ( 0.101 -1.394 -2.828) 3.154 2.403 ( -0.011 -3.727 1.773) 4.127 2.507 ( 0.287 3.220 -2.049) 3.828 2.571 ( 0.771 -3.163 -4.239) 5.345 2.727 ( -0.237 2.661 0.986) 2.848 2.778 ( -0.094 -2.549 -1.923) 3.194 2.985 ( 3.686 0.096 2.161) 4.274 3.008 ( 2.928 -2.041 -0.521) 3.607 3.226 ( 2.101 1.197 3.386) 4.161 3.252 ( 1.663 -1.237 1.502) 2.559 3.493 ( -1.343 10.515 7.610) 13.049 3.653 ( -4.174 -3.917 7.855) 9.719 3.790 ( 0.833 3.232 -0.357) 3.357 3.832 ( 3.332 0.594 -2.939) 4.483 4.310 ( 0.176 0.949 2.223) 2.423 4.346 ( 0.626 -1.195 2.040) 2.446 4.592 ( -1.924 4.746 1.679) 5.389 4.637 ( 3.526 3.298 3.294) 5.845 4.674 ( -0.051 -0.120 -0.144) 0.195 4.755 ( 2.259 -3.973 -0.313) 4.581 4.788 ( -0.987 -0.632 -1.548) 1.942 4.818 ( -1.282 -2.064 -2.514) 3.496 4.862 ( -2.089 3.299 -1.278) 4.108 4.981 ( -3.313 -4.659 -2.812) 6.371 5.135 ( -0.319 1.111 1.285) 1.729 5.149 ( -2.147 6.116 -0.275) 6.487 5.180 ( 2.429 -1.097 1.689) 3.155 5.285 ( 0.065 -4.259 -0.590) 4.300 5.392 ( 0.482 0.369 1.037) 1.202 5.419 ( 1.305 -1.912 0.535) 2.376 5.577 ( 0.406 0.976 0.671) 1.252 5.613 ( 0.728 -2.111 -0.053) 2.233 5.773 ( -2.684 1.060 -1.181) 3.119 5.796 ( -2.994 -1.356 -1.744) 3.721 5.900 ( 0.697 2.249 -2.340) 3.320 5.933 ( 0.692 -0.465 -2.180) 2.334 5.972 ( -1.659 0.058 -1.646) 2.338 5.989 ( 0.427 -2.049 -3.341) 3.942 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -0.279 3.876 2.441) 4.589 1.538 ( 2.951 -4.889 0.893) 5.780 1.657 ( -4.526 7.241 -0.526) 8.555 1.723 ( -3.516 1.480 -3.866) 5.432 1.785 ( -5.871 2.006 7.244) 9.537 1.837 ( -4.201 -2.616 3.334) 5.967 2.065 ( 0.465 -4.681 0.526) 4.733 2.094 ( 0.876 -5.442 -0.648) 5.550 2.252 ( 1.774 4.962 -4.836) 7.153 2.336 ( 2.043 2.978 1.461) 3.896 2.350 ( 2.359 -3.891 -5.586) 7.204 2.428 ( 1.528 -4.556 0.522) 4.834 2.524 ( 1.875 2.812 -0.863) 3.488 2.578 ( 0.778 -2.935 -3.279) 4.469 2.733 ( 1.008 3.087 0.169) 3.252 2.786 ( 1.022 -1.875 -2.032) 2.947 3.045 ( 1.914 0.954 0.276) 2.157 3.068 ( 2.553 -1.374 1.171) 3.127 3.243 ( -0.870 1.507 2.058) 2.695 3.273 ( -0.269 -1.388 1.547) 2.096 3.484 ( -1.147 5.654 7.006) 9.075 3.581 ( -4.473 -2.295 7.285) 8.851 3.773 ( -1.564 7.058 -0.859) 7.280 3.872 ( 1.716 -1.441 -1.628) 2.769 4.336 ( 1.878 1.724 3.829) 4.600 4.383 ( 1.785 -0.944 2.635) 3.320 4.544 ( -3.218 4.289 1.960) 5.709 4.632 ( -2.290 -3.360 0.253) 4.074 4.710 ( -0.379 3.731 -0.613) 3.800 4.744 ( 0.620 2.557 -1.008) 2.817 4.798 ( 1.024 1.533 -1.600) 2.441 4.821 ( 1.975 -0.084 -1.783) 2.662 4.860 ( 0.567 -3.641 1.176) 3.868 4.923 ( -1.091 -3.547 -4.225) 5.624 5.114 ( -1.029 0.488 0.794) 1.388 5.127 ( 0.630 0.203 0.880) 1.101 5.241 ( 2.326 2.073 1.745) 3.571 5.312 ( 1.923 -3.101 2.722) 4.552 5.392 ( -0.576 1.365 0.911) 1.739 5.439 ( 0.221 -3.198 0.011) 3.205 5.565 ( -1.074 1.452 0.267) 1.826 5.603 ( -1.600 -2.265 -0.216) 2.781 5.739 ( -0.461 0.714 -1.415) 1.650 5.755 ( -0.666 -0.972 -2.466) 2.733 5.915 ( 0.445 2.104 -1.455) 2.597 5.920 ( -1.452 0.388 -2.343) 2.784 5.937 ( -0.693 1.665 -2.517) 3.096 6.012 ( 2.288 -4.486 -3.527) 6.148 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -3.381 7.530 3.494) 8.963 1.545 ( -1.988 -3.314 2.528) 4.618 1.635 ( -1.257 6.593 2.008) 7.006 1.712 ( -1.085 1.688 3.931) 4.413 1.741 ( 7.005 -2.794 -2.781) 8.038 1.783 ( -2.861 -5.167 4.408) 7.370 2.077 ( 1.218 -1.354 -1.486) 2.350 2.125 ( 2.323 -4.165 -2.060) 5.195 2.247 ( -1.110 5.575 -2.506) 6.213 2.368 ( 1.774 0.751 -4.224) 4.643 2.372 ( 0.154 -3.585 -0.583) 3.636 2.449 ( 0.710 -5.170 -3.282) 6.165 2.549 ( 0.446 4.270 1.559) 4.568 2.608 ( 3.055 -1.822 -0.668) 3.619 2.776 ( 3.387 1.560 -1.239) 3.929 2.808 ( 2.515 -1.136 -2.938) 4.031 3.048 ( -1.650 1.469 -1.307) 2.566 3.068 ( -2.417 -0.461 -1.257) 2.763 3.235 ( -0.255 -0.396 3.571) 3.602 3.246 ( -2.385 -1.115 2.743) 3.802 3.460 ( -3.738 5.399 6.931) 9.548 3.531 ( -2.188 -1.237 5.342) 5.904 3.749 ( -1.061 7.631 2.980) 8.261 3.892 ( 0.137 -4.765 1.187) 4.913 4.381 ( 1.486 0.851 1.850) 2.521 4.404 ( -0.292 -0.073 1.270) 1.305 4.491 ( -2.244 4.831 3.551) 6.402 4.584 ( -2.202 -3.302 0.485) 3.998 4.671 ( -2.236 4.497 -1.098) 5.141 4.753 ( -0.472 -0.339 0.401) 0.706 4.819 ( 1.072 -0.745 -2.565) 2.878 4.847 ( -0.844 0.237 -1.375) 1.631 4.890 ( 5.001 1.336 -2.252) 5.645 4.945 ( 3.914 -2.012 -2.481) 5.052 5.122 ( 1.952 1.877 0.791) 2.821 5.181 ( 3.943 -2.304 1.781) 4.901 5.258 ( -0.553 1.648 -0.108) 1.742 5.337 ( -0.702 -3.675 1.655) 4.091 5.378 ( -1.071 1.601 1.083) 2.209 5.423 ( -1.413 -2.613 0.222) 2.979 5.559 ( -0.379 0.130 1.014) 1.090 5.567 ( -1.308 -0.715 -0.018) 1.490 5.743 ( 0.743 0.352 -2.146) 2.298 5.754 ( 0.921 -0.705 -2.698) 2.936 5.877 ( -1.610 0.772 -2.215) 2.845 5.893 ( -0.748 -0.660 -2.760) 2.935 5.964 ( 2.482 4.076 -1.260) 4.935 6.048 ( 2.014 -4.430 -2.313) 5.388 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -1.279 11.882 5.651) 13.220 1.519 ( -2.752 4.420 4.849) 7.115 1.615 ( 0.748 -1.696 3.792) 4.221 1.740 ( -1.750 -5.733 5.897) 8.408 1.762 ( 3.783 2.189 -1.575) 4.645 1.876 ( 6.379 -6.931 -3.805) 10.159 2.089 ( -0.603 1.917 -3.081) 3.678 2.159 ( 0.985 -3.820 -1.755) 4.318 2.223 ( -0.168 5.819 -0.140) 5.823 2.361 ( -0.341 -6.110 -0.913) 6.187 2.395 ( 1.965 1.072 -5.064) 5.536 2.440 ( -0.136 -3.414 -4.604) 5.734 2.565 ( 0.494 6.319 2.631) 6.862 2.658 ( 1.638 -3.388 -0.075) 3.764 2.840 ( 4.848 4.068 -2.326) 6.742 2.914 ( 8.660 -1.780 -2.093) 9.085 2.987 ( -2.808 0.848 -1.167) 3.157 3.028 ( -1.131 -1.849 -1.359) 2.558 3.198 ( -3.562 0.506 2.285) 4.262 3.224 ( -2.751 0.307 5.960) 6.571 3.374 ( -5.856 6.856 4.524) 10.088 3.496 ( -3.421 -4.028 4.546) 6.971 3.733 ( -2.217 5.708 5.898) 8.502 3.867 ( -3.419 -6.797 4.000) 8.596 4.370 ( -2.266 1.364 -0.661) 2.726 4.394 ( 0.343 -0.721 -1.019) 1.294 4.501 ( 1.534 3.757 6.229) 7.434 4.565 ( -0.311 -0.948 2.404) 2.602 4.628 ( -2.051 4.991 -0.872) 5.466 4.726 ( -2.038 -2.795 1.180) 3.655 4.825 ( 0.362 0.392 -3.314) 3.357 4.846 ( 1.446 -1.072 -3.664) 4.083 4.981 ( 4.727 3.375 -1.368) 5.967 5.041 ( 5.235 -1.748 -0.158) 5.522 5.184 ( 3.807 3.805 0.739) 5.433 5.200 ( -2.479 3.214 -2.340) 4.686 5.281 ( 1.463 -3.609 0.911) 3.999 5.294 ( -1.995 -6.099 0.755) 6.461 5.363 ( 0.265 1.152 -1.524) 1.929 5.401 ( -0.837 -1.970 0.170) 2.147 5.531 ( -1.619 1.282 -0.988) 2.289 5.559 ( -1.158 -1.197 0.882) 1.885 5.733 ( -1.061 0.522 -3.030) 3.252 5.755 ( -0.635 -1.500 -2.199) 2.737 5.883 ( 2.693 1.469 -1.241) 3.309 5.906 ( 2.615 -0.728 -1.951) 3.343 6.009 ( 2.319 3.379 -0.598) 4.142 6.076 ( 1.275 -3.407 -1.290) 3.860 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 2.205 14.461 6.338) 15.943 1.475 ( -2.145 12.030 7.373) 14.272 1.673 ( 3.569 -10.501 1.214) 11.158 1.725 ( -0.473 -10.419 6.277) 12.173 1.838 ( 3.725 6.151 -2.745) 7.697 1.958 ( 3.372 -5.569 -4.388) 7.851 2.051 ( -1.582 2.704 -2.690) 4.129 2.136 ( -1.919 -6.021 -2.099) 6.659 2.245 ( 1.039 5.493 0.341) 5.601 2.361 ( 0.158 -5.596 -1.428) 5.777 2.423 ( 2.131 1.312 -5.424) 5.973 2.444 ( 1.520 -0.554 -3.981) 4.297 2.568 ( -0.672 5.961 1.633) 6.217 2.667 ( -0.482 -3.923 -0.176) 3.956 2.952 ( 5.568 6.244 -2.184) 8.646 2.958 ( 0.300 2.678 2.396) 3.606 3.019 ( -0.428 1.186 0.459) 1.342 3.104 ( -4.535 0.110 1.726) 4.853 3.119 ( 10.244 -1.803 1.248) 10.476 3.177 ( -1.488 3.246 3.970) 5.340 3.271 ( -5.591 -0.075 0.963) 5.674 3.404 ( -7.025 -7.977 4.201) 11.429 3.678 ( -4.755 4.636 6.686) 9.423 3.796 ( -4.380 -7.408 5.309) 10.112 4.349 ( 0.336 3.408 -0.303) 3.438 4.407 ( 1.241 -1.764 -0.372) 2.189 4.537 ( 0.025 1.840 3.085) 3.592 4.565 ( -0.425 1.346 1.248) 1.884 4.596 ( -0.775 4.382 1.646) 4.745 4.695 ( -1.489 -2.669 2.841) 4.173 4.831 ( 0.984 0.970 -3.657) 3.910 4.875 ( 2.191 -2.608 -3.033) 4.561 5.052 ( 2.585 4.092 0.467) 4.863 5.095 ( -1.119 1.416 4.543) 4.889 5.147 ( -1.020 0.720 -3.578) 3.790 5.219 ( -2.824 -3.534 -0.833) 4.600 5.259 ( 3.037 0.871 -1.887) 3.680 5.308 ( -0.080 -2.172 2.968) 3.679 5.388 ( 1.231 -0.886 -4.299) 4.559 5.397 ( 0.272 0.068 -1.979) 1.998 5.498 ( -0.852 0.677 -2.890) 3.088 5.528 ( -1.517 -2.018 -0.931) 2.691 5.719 ( 0.747 0.532 -3.190) 3.319 5.743 ( 0.409 -1.735 -3.088) 3.565 5.942 ( 2.774 1.388 0.358) 3.122 5.958 ( 2.428 -0.133 -0.380) 2.462 6.045 ( 1.377 2.450 -0.355) 2.833 6.089 ( 0.246 -2.010 -0.773) 2.168 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 2.410 0.000 16.551) 16.725 1.284 ( -1.883 0.000 15.968) 16.078 1.493 ( -1.440 0.000 -12.322) 12.406 1.591 ( 0.500 0.000 -11.878) 11.888 2.097 ( -5.225 0.000 11.292) 12.442 2.105 ( -0.193 0.000 5.108) 5.111 2.231 ( -0.587 0.000 5.715) 5.745 2.271 ( 7.352 0.000 -1.874) 7.587 2.320 ( 0.130 0.000 1.328) 1.334 2.342 ( 1.765 0.000 -0.327) 1.795 2.438 ( -2.220 0.000 0.053) 2.220 2.542 ( -1.894 0.000 4.006) 4.431 2.577 ( 2.078 0.000 -3.490) 4.062 2.646 ( -0.994 0.000 -5.449) 5.539 2.691 ( 2.923 0.000 0.754) 3.018 2.736 ( -0.672 0.000 -5.237) 5.280 3.049 ( -2.222 0.000 2.156) 3.096 3.094 ( 1.242 0.000 -2.032) 2.382 3.163 ( 3.482 0.000 3.587) 4.999 3.211 ( -1.121 0.000 0.346) 1.173 3.465 ( -8.086 0.000 5.602) 9.837 3.492 ( 7.951 0.000 -3.264) 8.594 3.530 ( -4.024 0.000 -0.704) 4.085 3.753 ( 1.328 0.000 -13.496) 13.561 4.263 ( -2.108 0.000 0.596) 2.191 4.277 ( 2.409 0.000 -0.549) 2.471 4.361 ( -0.250 0.000 6.923) 6.928 4.495 ( -0.092 0.000 -5.322) 5.322 4.708 ( 4.134 0.000 2.015) 4.599 4.709 ( -4.278 0.000 4.282) 6.053 4.805 ( -0.608 0.000 -2.637) 2.706 4.836 ( 1.786 0.000 -4.005) 4.385 4.952 ( 2.197 0.000 7.473) 7.790 5.054 ( 0.529 0.000 1.736) 1.815 5.064 ( -1.801 0.000 -2.265) 2.893 5.097 ( -2.600 0.000 -3.349) 4.240 5.293 ( 1.484 0.000 2.118) 2.586 5.349 ( -2.295 0.000 -2.839) 3.651 5.412 ( 1.142 0.000 0.995) 1.514 5.428 ( 0.296 0.000 -1.136) 1.174 5.655 ( 0.565 0.000 2.933) 2.987 5.721 ( -0.146 0.000 -3.072) 3.076 5.831 ( 1.866 0.000 0.656) 1.977 5.843 ( -0.807 0.000 -0.389) 0.896 5.850 ( 1.386 0.000 1.069) 1.751 5.875 ( -1.109 0.000 -1.281) 1.694 6.016 ( 2.563 0.000 2.056) 3.286 6.044 ( -3.336 0.000 -0.755) 3.420 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -3.089 0.000 14.703) 15.024 1.281 ( -2.326 0.000 0.900) 2.494 1.442 ( 0.448 0.000 1.812) 1.867 1.610 ( 3.755 0.000 -12.179) 12.745 2.050 ( -2.139 0.000 7.829) 8.116 2.106 ( -0.657 0.000 4.554) 4.601 2.261 ( 3.532 0.000 -3.663) 5.088 2.309 ( -1.660 0.000 -0.424) 1.713 2.340 ( 1.065 0.000 -2.369) 2.597 2.409 ( 2.446 0.000 3.375) 4.169 2.439 ( 1.664 0.000 9.167) 9.317 2.515 ( -1.861 0.000 4.202) 4.595 2.561 ( -2.361 0.000 -4.630) 5.197 2.657 ( 2.708 0.000 -3.845) 4.703 2.753 ( 3.261 0.000 -5.271) 6.198 2.778 ( 5.664 0.000 0.197) 5.668 3.018 ( -1.758 0.000 2.378) 2.957 3.102 ( -2.289 0.000 1.252) 2.608 3.175 ( 0.922 0.000 -4.790) 4.878 3.206 ( -0.017 0.000 1.824) 1.824 3.317 ( -5.853 0.000 -3.047) 6.598 3.447 ( -6.333 0.000 7.156) 9.556 3.565 ( -0.339 0.000 -1.089) 1.140 3.735 ( 0.399 0.000 -10.335) 10.343 4.248 ( 0.460 0.000 0.602) 0.758 4.327 ( 1.763 0.000 1.297) 2.189 4.375 ( 0.950 0.000 4.202) 4.308 4.485 ( 0.325 0.000 -4.958) 4.968 4.610 ( -6.138 0.000 3.719) 7.177 4.788 ( 3.302 0.000 0.234) 3.311 4.825 ( 3.090 0.000 -2.757) 4.141 4.840 ( -0.402 0.000 -3.383) 3.407 4.998 ( 0.568 0.000 7.468) 7.490 5.006 ( -3.294 0.000 -4.195) 5.334 5.045 ( -1.692 0.000 3.382) 3.782 5.072 ( 0.821 0.000 -1.167) 1.427 5.303 ( -1.935 0.000 -2.318) 3.019 5.324 ( 0.301 0.000 3.248) 3.262 5.439 ( 1.105 0.000 -1.628) 1.968 5.461 ( 3.631 0.000 0.006) 3.631 5.666 ( -0.120 0.000 2.867) 2.870 5.708 ( -0.457 0.000 -3.607) 3.636 5.833 ( -0.072 0.000 -1.763) 1.765 5.849 ( -0.649 0.000 -1.853) 1.964 5.858 ( 0.477 0.000 -0.160) 0.503 5.878 ( 1.261 0.000 0.947) 1.577 5.972 ( -4.014 0.000 -0.765) 4.086 6.052 ( 0.744 0.000 2.725) 2.824 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.692 0.000 7.566) 7.598 1.222 ( -0.951 0.000 -7.406) 7.466 1.524 ( 4.866 0.000 10.039) 11.156 1.657 ( 3.011 0.000 -10.161) 10.598 2.027 ( -1.941 0.000 5.088) 5.445 2.098 ( -1.690 0.000 6.151) 6.379 2.266 ( -1.757 0.000 -0.749) 1.910 2.320 ( -6.580 0.000 -0.897) 6.641 2.360 ( 7.317 0.000 -8.432) 11.164 2.367 ( -2.053 0.000 1.352) 2.458 2.483 ( -0.876 0.000 3.284) 3.399 2.518 ( 2.474 0.000 10.158) 10.455 2.550 ( 1.348 0.000 -3.063) 3.346 2.698 ( 1.893 0.000 0.727) 2.028 2.792 ( 0.999 0.000 -1.511) 1.812 2.887 ( 5.069 0.000 -0.173) 5.072 2.989 ( -1.756 0.000 2.766) 3.276 3.030 ( -3.361 0.000 -0.316) 3.376 3.165 ( -3.899 0.000 -1.998) 4.381 3.199 ( -3.114 0.000 3.923) 5.009 3.298 ( 5.118 0.000 -4.721) 6.963 3.341 ( -1.797 0.000 -4.561) 4.902 3.502 ( -5.099 0.000 2.022) 5.486 3.720 ( -0.942 0.000 -5.061) 5.148 4.277 ( 2.114 0.000 1.260) 2.461 4.332 ( -1.497 0.000 4.752) 4.982 4.416 ( 2.017 0.000 1.071) 2.284 4.491 ( 1.539 0.000 -5.511) 5.721 4.526 ( -2.629 0.000 3.081) 4.050 4.777 ( -2.115 0.000 -4.605) 5.067 4.875 ( 2.731 0.000 0.793) 2.844 4.893 ( 3.913 0.000 -2.836) 4.833 4.922 ( -4.306 0.000 -5.283) 6.815 4.963 ( -4.543 0.000 3.518) 5.746 5.049 ( 0.408 0.000 7.217) 7.228 5.109 ( 2.779 0.000 -1.497) 3.156 5.274 ( -0.685 0.000 -0.417) 0.802 5.318 ( -1.135 0.000 3.021) 3.227 5.459 ( 1.330 0.000 -1.723) 2.176 5.517 ( 1.414 0.000 0.859) 1.655 5.663 ( -0.787 0.000 2.671) 2.785 5.694 ( -0.160 0.000 -3.291) 3.295 5.816 ( -0.613 0.000 -0.179) 0.638 5.847 ( -1.431 0.000 -1.241) 1.894 5.864 ( -0.459 0.000 -1.093) 1.186 5.893 ( 0.185 0.000 0.042) 0.190 5.907 ( 0.445 0.000 -4.825) 4.845 6.056 ( -1.017 0.000 3.409) 3.558 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 3.731 0.000 -3.031) 4.807 1.270 ( 6.743 0.000 0.253) 6.748 1.613 ( 1.085 0.000 8.239) 8.310 1.665 ( -0.123 0.000 -6.932) 6.933 2.005 ( -0.687 0.000 1.940) 2.058 2.018 ( -8.623 0.000 7.719) 11.573 2.203 ( -1.332 0.000 1.413) 1.942 2.238 ( -1.283 0.000 0.963) 1.604 2.372 ( 1.242 0.000 -0.093) 1.245 2.433 ( -0.436 0.000 -0.028) 0.437 2.518 ( 5.055 0.000 -5.553) 7.510 2.549 ( -1.230 0.000 -3.852) 4.043 2.590 ( 3.332 0.000 4.369) 5.495 2.709 ( -1.220 0.000 2.001) 2.344 2.832 ( 3.810 0.000 3.091) 4.906 2.924 ( -1.340 0.000 0.011) 1.340 2.981 ( 0.801 0.000 -1.104) 1.364 2.982 ( -3.263 0.000 1.036) 3.423 3.067 ( -7.722 0.000 6.458) 10.067 3.092 ( -1.892 0.000 -2.043) 2.785 3.371 ( 5.061 0.000 -1.115) 5.182 3.399 ( -6.767 0.000 7.003) 9.738 3.448 ( 9.438 0.000 -13.749) 16.676 3.668 ( -3.576 0.000 -3.097) 4.730 4.304 ( -2.137 0.000 5.577) 5.973 4.318 ( 1.531 0.000 1.720) 2.303 4.452 ( 1.809 0.000 2.656) 3.214 4.519 ( 2.455 0.000 -5.952) 6.438 4.523 ( 1.039 0.000 0.989) 1.434 4.724 ( -2.592 0.000 -5.033) 5.661 4.838 ( -2.086 0.000 -5.970) 6.324 4.850 ( -6.588 0.000 4.220) 7.823 4.916 ( 1.159 0.000 0.828) 1.425 4.961 ( 2.248 0.000 -3.537) 4.191 5.067 ( -0.137 0.000 6.836) 6.838 5.156 ( 2.233 0.000 -2.516) 3.364 5.278 ( 0.915 0.000 1.170) 1.485 5.310 ( -0.016 0.000 2.114) 2.114 5.483 ( 1.569 0.000 -1.627) 2.260 5.514 ( -1.603 0.000 1.493) 2.190 5.650 ( -1.069 0.000 2.783) 2.981 5.691 ( 0.577 0.000 -2.256) 2.329 5.800 ( -2.782 0.000 -0.457) 2.819 5.803 ( -2.528 0.000 -2.290) 3.411 5.824 ( 0.275 0.000 0.617) 0.675 5.887 ( -0.672 0.000 -0.706) 0.975 5.976 ( 5.381 0.000 -6.196) 8.206 6.028 ( -2.757 0.000 3.730) 4.638 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 0.165 0.000 2.044) 2.051 1.333 ( -3.130 0.000 -1.473) 3.460 1.577 ( -4.489 0.000 5.523) 7.117 1.688 ( 5.669 0.000 -4.993) 7.554 1.931 ( -0.589 0.000 5.692) 5.722 2.023 ( 3.047 0.000 -1.699) 3.489 2.218 ( -1.241 0.000 2.279) 2.595 2.228 ( 1.731 0.000 2.361) 2.928 2.411 ( -1.329 0.000 0.268) 1.356 2.415 ( 2.839 0.000 0.195) 2.846 2.479 ( -5.365 0.000 0.863) 5.434 2.527 ( -3.210 0.000 -1.860) 3.710 2.663 ( 3.230 0.000 0.003) 3.230 2.686 ( -1.006 0.000 0.549) 1.146 2.850 ( -5.309 0.000 6.035) 8.037 2.887 ( -2.347 0.000 1.553) 2.814 2.946 ( 3.824 0.000 3.503) 5.186 3.023 ( 3.002 0.000 -2.867) 4.151 3.025 ( 0.427 0.000 -1.529) 1.588 3.097 ( 4.528 0.000 -5.662) 7.250 3.269 ( -8.838 0.000 10.309) 13.579 3.468 ( 4.971 0.000 -2.164) 5.422 3.575 ( -5.242 0.000 -3.863) 6.511 3.585 ( 7.210 0.000 -9.581) 11.991 4.286 ( -1.015 0.000 6.332) 6.413 4.340 ( 0.504 0.000 1.239) 1.338 4.489 ( 0.427 0.000 0.430) 0.606 4.542 ( 0.908 0.000 -5.598) 5.671 4.555 ( 2.507 0.000 2.916) 3.846 4.652 ( -3.329 0.000 -5.935) 6.805 4.741 ( -5.029 0.000 5.350) 7.342 4.843 ( 3.594 0.000 -4.657) 5.883 4.925 ( -0.424 0.000 1.061) 1.142 4.974 ( 0.107 0.000 -3.338) 3.340 5.071 ( -0.971 0.000 6.575) 6.646 5.181 ( 1.195 0.000 -3.577) 3.771 5.305 ( 1.391 0.000 1.423) 1.990 5.317 ( -0.000 0.000 0.169) 0.169 5.480 ( -1.931 0.000 1.567) 2.487 5.512 ( 1.829 0.000 -1.502) 2.367 5.639 ( -0.684 0.000 3.633) 3.696 5.708 ( 1.636 0.000 -1.925) 2.526 5.755 ( -1.550 0.000 -1.738) 2.329 5.759 ( -0.778 0.000 -0.708) 1.052 5.843 ( 1.082 0.000 1.250) 1.653 5.868 ( -1.091 0.000 -0.997) 1.478 5.966 ( -4.415 0.000 3.568) 5.677 6.058 ( 4.268 0.000 -5.429) 6.905 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -9.759 0.000 2.432) 10.057 1.266 ( -1.096 0.000 0.546) 1.224 1.522 ( -3.397 0.000 6.663) 7.479 1.765 ( 0.994 0.000 -6.144) 6.224 1.987 ( 4.360 0.000 2.973) 5.277 2.142 ( 9.367 0.000 -2.369) 9.662 2.202 ( -0.638 0.000 1.791) 1.901 2.240 ( -2.595 0.000 5.926) 6.470 2.335 ( -5.728 0.000 0.453) 5.746 2.396 ( 0.346 0.000 -2.455) 2.479 2.438 ( -5.643 0.000 6.388) 8.523 2.497 ( 2.798 0.000 -0.881) 2.933 2.682 ( 0.583 0.000 -2.267) 2.341 2.704 ( 0.527 0.000 1.639) 1.722 2.816 ( 0.683 0.000 6.404) 6.441 2.837 ( -3.011 0.000 -0.508) 3.054 3.018 ( 2.212 0.000 3.490) 4.132 3.037 ( 1.364 0.000 -2.859) 3.168 3.044 ( 1.999 0.000 -3.697) 4.203 3.106 ( -9.382 0.000 13.586) 16.511 3.245 ( 7.209 0.000 -7.630) 10.498 3.476 ( -1.869 0.000 -7.522) 7.751 3.541 ( 3.017 0.000 -2.557) 3.955 3.675 ( 3.845 0.000 -6.427) 7.489 4.288 ( -0.393 0.000 6.085) 6.098 4.349 ( 0.249 0.000 1.156) 1.183 4.441 ( -4.562 0.000 0.199) 4.566 4.533 ( -0.331 0.000 -6.026) 6.035 4.591 ( -1.546 0.000 -4.985) 5.219 4.636 ( 4.118 0.000 3.786) 5.594 4.711 ( 0.960 0.000 6.288) 6.361 4.902 ( -2.300 0.000 1.468) 2.728 4.929 ( 5.570 0.000 -3.308) 6.478 4.958 ( -1.024 0.000 -3.175) 3.336 5.059 ( -1.699 0.000 6.464) 6.684 5.189 ( 0.457 0.000 -4.195) 4.220 5.303 ( -1.193 0.000 -1.058) 1.595 5.334 ( 1.640 0.000 -0.025) 1.641 5.453 ( -1.326 0.000 1.250) 1.823 5.538 ( 0.763 0.000 -0.871) 1.157 5.634 ( -0.709 0.000 3.136) 3.215 5.717 ( 0.103 0.000 -3.939) 3.941 5.774 ( 2.073 0.000 0.871) 2.248 5.774 ( 3.264 0.000 1.829) 3.741 5.843 ( -1.323 0.000 -0.769) 1.530 5.866 ( 1.031 0.000 1.161) 1.553 5.882 ( -4.721 0.000 2.723) 5.450 6.110 ( 2.208 0.000 -4.452) 4.969 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -4.449 0.000 8.865) 9.919 1.306 ( 4.566 0.000 -1.856) 4.929 1.458 ( -4.111 0.000 6.630) 7.802 1.715 ( -3.413 0.000 -7.838) 8.549 2.076 ( 3.944 0.000 1.278) 4.146 2.152 ( -5.438 0.000 8.382) 9.991 2.192 ( -0.400 0.000 -0.734) 0.836 2.285 ( 3.100 0.000 1.198) 3.324 2.301 ( 0.661 0.000 -3.188) 3.256 2.352 ( -5.170 0.000 14.800) 15.677 2.429 ( 3.546 0.000 -2.874) 4.564 2.526 ( 1.020 0.000 -1.201) 1.575 2.673 ( -4.131 0.000 2.560) 4.860 2.684 ( 0.358 0.000 -5.095) 5.107 2.762 ( -5.285 0.000 0.511) 5.310 2.846 ( -0.873 0.000 3.409) 3.519 3.009 ( -1.499 0.000 8.535) 8.666 3.062 ( 1.811 0.000 -3.473) 3.917 3.072 ( 3.661 0.000 6.184) 7.186 3.124 ( 6.979 0.000 -4.996) 8.583 3.230 ( -4.684 0.000 -1.297) 4.860 3.562 ( 10.137 0.000 -13.129) 16.587 3.568 ( 0.313 0.000 -1.557) 1.588 3.697 ( -0.464 0.000 -4.820) 4.842 4.285 ( -1.204 0.000 2.476) 2.753 4.347 ( -1.022 0.000 1.506) 1.820 4.363 ( -3.100 0.000 4.722) 5.648 4.515 ( 0.075 0.000 -6.995) 6.996 4.581 ( 1.424 0.000 -2.210) 2.629 4.699 ( 2.204 0.000 3.091) 3.796 4.791 ( 4.675 0.000 6.886) 8.323 4.851 ( -2.789 0.000 0.655) 2.865 4.919 ( -2.533 0.000 -2.951) 3.889 5.023 ( 4.551 0.000 -2.354) 5.124 5.037 ( -1.654 0.000 5.318) 5.570 5.178 ( -0.622 0.000 -4.424) 4.467 5.281 ( -0.583 0.000 -0.761) 0.959 5.372 ( 2.491 0.000 -2.166) 3.300 5.431 ( -1.282 0.000 0.838) 1.531 5.516 ( -3.358 0.000 0.669) 3.424 5.629 ( -0.318 0.000 2.720) 2.738 5.718 ( 0.699 0.000 -2.571) 2.664 5.810 ( -1.484 0.000 1.649) 2.218 5.822 ( -0.619 0.000 0.266) 0.674 5.822 ( 1.677 0.000 1.413) 2.193 5.861 ( 4.337 0.000 1.209) 4.502 5.885 ( 0.631 0.000 0.590) 0.864 6.123 ( 0.014 0.000 -3.293) 3.293 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.400 0.000 14.395) 14.791 1.318 ( -4.576 0.000 15.224) 15.897 1.478 ( 5.335 0.000 -11.755) 12.909 1.636 ( -2.513 0.000 -9.835) 10.151 2.099 ( -1.228 0.000 8.245) 8.336 2.156 ( 4.457 0.000 -2.325) 5.027 2.169 ( -2.527 0.000 1.189) 2.793 2.262 ( -5.546 0.000 22.118) 22.803 2.316 ( 1.388 0.000 -2.384) 2.759 2.323 ( -0.356 0.000 -2.045) 2.076 2.471 ( 0.301 0.000 -2.020) 2.042 2.546 ( 1.486 0.000 -1.256) 1.945 2.587 ( -4.231 0.000 2.694) 5.016 2.673 ( -0.369 0.000 -5.851) 5.862 2.680 ( -2.319 0.000 1.597) 2.815 2.792 ( -3.703 0.000 -2.079) 4.247 3.059 ( 3.126 0.000 5.775) 6.566 3.080 ( 1.033 0.000 -3.483) 3.633 3.121 ( -3.000 0.000 -0.475) 3.037 3.174 ( 4.012 0.000 6.230) 7.410 3.312 ( 10.748 0.000 -4.773) 11.760 3.548 ( -2.592 0.000 3.202) 4.119 3.635 ( -4.840 0.000 -4.865) 6.863 3.706 ( 6.928 0.000 -13.758) 15.404 4.260 ( -0.683 0.000 -0.324) 0.756 4.312 ( -2.734 0.000 1.054) 2.930 4.351 ( -0.371 0.000 7.494) 7.503 4.506 ( 0.287 0.000 -6.525) 6.532 4.631 ( 3.534 0.000 1.057) 3.688 4.736 ( 0.401 0.000 4.000) 4.020 4.819 ( -0.047 0.000 -2.016) 2.017 4.851 ( -2.866 0.000 -2.494) 3.799 4.887 ( 2.924 0.000 6.848) 7.447 5.032 ( 0.477 0.000 2.857) 2.897 5.077 ( 1.197 0.000 -1.586) 1.987 5.149 ( -1.459 0.000 -5.068) 5.274 5.278 ( 0.129 0.000 0.242) 0.275 5.399 ( -0.287 0.000 -3.921) 3.931 5.409 ( -0.934 0.000 1.173) 1.500 5.438 ( -3.104 0.000 1.736) 3.556 5.637 ( 0.514 0.000 2.924) 2.969 5.725 ( 0.365 0.000 -2.163) 2.193 5.804 ( 0.611 0.000 0.237) 0.655 5.823 ( 0.985 0.000 0.979) 1.389 5.850 ( 0.328 0.000 1.090) 1.138 5.890 ( -0.184 0.000 -0.499) 0.532 5.948 ( 4.060 0.000 1.635) 4.377 6.098 ( -1.955 0.000 -1.880) 2.712 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 2.288 6.276 14.539) 16.000 1.325 ( -1.969 4.173 14.423) 15.143 1.516 ( -1.720 2.766 -9.936) 10.457 1.632 ( 1.730 3.718 -12.601) 13.251 2.036 ( -0.135 -2.284 5.533) 5.987 2.121 ( 0.261 -4.055 -2.419) 4.729 2.244 ( -3.956 1.612 5.828) 7.226 2.259 ( 4.044 -1.768 5.039) 6.698 2.298 ( -0.433 -2.600 0.492) 2.682 2.338 ( 1.379 1.181 4.089) 4.474 2.403 ( -0.866 -2.749 0.584) 2.941 2.516 ( -1.773 -3.024 1.689) 3.891 2.535 ( 0.709 -2.556 -1.434) 3.015 2.648 ( 1.231 -0.499 -7.657) 7.771 2.733 ( 1.564 4.029 2.558) 5.021 2.809 ( -0.669 6.907 -3.570) 7.803 3.036 ( -2.068 -1.686 1.945) 3.302 3.079 ( 0.961 -1.451 -2.050) 2.689 3.138 ( 2.864 0.107 5.936) 6.592 3.245 ( -1.346 1.506 -3.373) 3.931 3.440 ( 5.783 -2.234 -0.438) 6.215 3.470 ( -5.535 -3.717 -5.016) 8.343 3.562 ( -4.217 4.529 9.202) 11.089 3.797 ( 2.654 3.277 -11.785) 12.516 4.237 ( -0.245 0.471 0.875) 1.023 4.255 ( 0.200 0.017 -0.823) 0.847 4.439 ( -1.093 4.466 6.510) 7.970 4.575 ( 0.710 3.984 -5.586) 6.898 4.704 ( -0.172 -0.661 2.430) 2.524 4.717 ( 0.400 2.347 2.012) 3.118 4.813 ( 0.940 1.336 -0.704) 1.779 4.849 ( -0.047 1.021 -4.015) 4.143 4.931 ( 0.751 -1.326 6.436) 6.614 5.026 ( -0.938 -1.568 -1.697) 2.494 5.103 ( 0.188 2.828 0.485) 2.875 5.125 ( -2.063 2.273 -2.135) 3.739 5.288 ( 1.456 -0.551 1.826) 2.400 5.334 ( -1.150 -1.475 -1.592) 2.456 5.398 ( 0.652 -0.718 -0.916) 1.334 5.404 ( -0.556 -2.673 -1.428) 3.081 5.638 ( 0.790 -2.302 3.589) 4.337 5.708 ( 0.333 -3.080 -1.802) 3.584 5.742 ( -0.301 -3.938 -0.102) 3.951 5.766 ( 1.122 -4.469 -1.440) 4.828 5.915 ( -0.143 3.046 0.667) 3.121 5.935 ( 0.430 3.241 -1.045) 3.433 6.018 ( 2.424 0.352 2.193) 3.288 6.050 ( -3.135 0.535 -0.936) 3.316 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -3.735 5.572 11.864) 13.629 1.336 ( -0.173 5.364 3.516) 6.416 1.477 ( 0.494 3.627 -0.127) 3.663 1.651 ( 3.252 4.074 -12.003) 13.086 2.034 ( -0.836 -1.854 3.940) 4.434 2.108 ( -1.766 -0.989 2.264) 3.037 2.203 ( 0.459 -3.966 -3.031) 5.013 2.272 ( -1.243 -2.813 -0.125) 3.078 2.363 ( 2.911 -4.042 1.665) 5.252 2.384 ( -0.790 -0.237 -0.966) 1.270 2.403 ( 2.867 -0.538 10.034) 10.449 2.487 ( -1.151 -2.785 2.218) 3.742 2.526 ( -1.126 -1.667 -0.527) 2.080 2.651 ( 0.899 -2.394 -6.805) 7.269 2.811 ( 5.420 3.474 2.475) 6.898 2.818 ( 0.838 5.026 -1.543) 5.324 3.006 ( -1.871 -1.218 1.904) 2.934 3.086 ( -1.950 -1.630 1.719) 3.068 3.175 ( 0.247 0.277 0.910) 0.983 3.214 ( 0.127 1.861 -2.397) 3.038 3.302 ( -3.652 -1.152 -8.138) 8.994 3.469 ( -6.663 0.139 6.765) 9.496 3.569 ( 2.187 2.646 2.925) 4.510 3.801 ( 0.469 5.210 -9.355) 10.718 4.252 ( 1.694 0.615 1.180) 2.154 4.285 ( 2.528 -0.442 -0.749) 2.674 4.430 ( -1.125 3.520 5.165) 6.351 4.554 ( -2.524 3.251 -0.425) 4.138 4.649 ( -1.939 4.246 -2.397) 5.247 4.773 ( 2.584 0.012 0.625) 2.659 4.825 ( -0.200 -0.850 -3.540) 3.646 4.860 ( 1.872 1.929 -0.641) 2.764 4.946 ( -0.533 -3.719 5.221) 6.432 4.990 ( -1.924 -0.589 -1.430) 2.469 5.087 ( -2.002 2.530 1.252) 3.460 5.103 ( 0.305 2.643 0.199) 2.668 5.295 ( -2.066 -0.957 -2.199) 3.166 5.317 ( 0.381 -0.626 2.872) 2.964 5.402 ( 0.907 -3.498 -1.972) 4.117 5.449 ( 3.789 -0.898 0.088) 3.895 5.651 ( -0.271 -1.706 1.970) 2.621 5.714 ( 0.853 -0.537 -2.734) 2.914 5.740 ( 0.249 -5.556 0.512) 5.585 5.791 ( 1.908 -3.755 -3.133) 5.250 5.907 ( -0.662 1.900 0.528) 2.080 5.927 ( -1.065 3.196 -1.368) 3.636 5.978 ( -3.980 0.725 -0.990) 4.165 6.051 ( 0.577 -0.024 2.824) 2.883 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -0.909 3.832 3.554) 5.305 1.327 ( 0.395 8.936 -3.357) 9.554 1.542 ( 4.060 2.012 8.320) 9.474 1.693 ( 2.834 3.496 -9.188) 10.231 2.019 ( -1.854 -1.842 4.004) 4.782 2.077 ( -1.945 -1.470 4.019) 4.701 2.222 ( 0.618 -5.516 -1.747) 5.819 2.271 ( 2.461 -3.362 -3.997) 5.774 2.279 ( -8.519 -3.726 2.383) 9.598 2.408 ( 2.700 -0.361 -3.769) 4.650 2.481 ( 1.435 -0.652 3.179) 3.548 2.502 ( 0.367 -0.467 3.885) 3.930 2.508 ( 1.126 -3.935 2.369) 4.729 2.654 ( 0.142 -3.924 -2.844) 4.849 2.800 ( -1.906 0.013 0.881) 2.100 2.925 ( 3.048 1.740 1.349) 3.760 2.940 ( -4.372 -4.405 2.622) 6.738 3.014 ( -2.008 -0.211 -0.058) 2.019 3.195 ( -1.254 3.947 1.425) 4.379 3.210 ( 0.507 0.552 -0.602) 0.961 3.328 ( 2.919 2.954 -0.844) 4.238 3.379 ( 1.318 3.491 -4.895) 6.155 3.554 ( -3.293 5.437 1.675) 6.573 3.780 ( -1.676 5.059 -4.013) 6.671 4.295 ( 1.886 0.076 1.988) 2.742 4.328 ( 1.473 2.146 0.808) 2.726 4.426 ( 0.430 -0.202 1.749) 1.813 4.503 ( -2.196 4.359 3.331) 5.909 4.627 ( -0.045 5.994 -4.889) 7.735 4.786 ( -2.023 0.874 -2.894) 3.638 4.835 ( 3.151 -2.367 -1.614) 4.259 4.879 ( -1.153 -1.532 -1.014) 2.169 4.918 ( -2.303 -1.458 -0.730) 2.822 4.965 ( -0.997 0.204 1.879) 2.137 5.060 ( -0.732 1.073 3.757) 3.975 5.124 ( 1.641 1.570 -0.041) 2.272 5.263 ( -0.674 -1.187 -0.530) 1.464 5.315 ( -0.827 -0.316 2.613) 2.759 5.429 ( 2.130 -2.807 -1.341) 3.771 5.504 ( 1.320 -1.080 1.152) 2.058 5.640 ( -0.847 -1.511 0.225) 1.747 5.717 ( -0.396 0.632 -1.526) 1.698 5.755 ( 1.064 -3.959 1.121) 4.250 5.832 ( 2.617 -3.283 -4.378) 6.065 5.875 ( -3.245 -0.023 -0.580) 3.297 5.894 ( -2.218 2.468 -0.670) 3.385 5.920 ( -0.050 0.443 -3.162) 3.193 6.052 ( -1.135 -0.373 3.301) 3.510 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 5.371 2.694 -0.558) 6.035 1.361 ( 3.372 7.705 -1.921) 8.627 1.608 ( 0.467 -0.053 4.350) 4.375 1.704 ( -0.830 3.254 -3.099) 4.570 1.972 ( -4.459 -2.878 5.613) 7.725 2.032 ( -3.040 0.866 2.019) 3.751 2.156 ( -1.546 -3.880 2.270) 4.754 2.223 ( -0.729 -1.743 2.028) 2.771 2.329 ( 3.562 -4.787 -3.984) 7.174 2.428 ( -1.454 -0.727 -0.007) 1.626 2.495 ( 0.418 -2.393 -4.063) 4.733 2.513 ( 0.593 -0.560 -0.935) 1.241 2.550 ( 2.311 -7.455 0.797) 7.845 2.645 ( -0.483 -5.214 2.821) 5.948 2.775 ( -1.098 -1.478 1.247) 2.224 2.816 ( -4.732 -7.415 0.585) 8.816 2.983 ( 0.746 0.832 0.524) 1.234 3.031 ( 1.983 1.862 -1.513) 3.113 3.136 ( -2.761 7.287 4.170) 8.838 3.195 ( -2.342 5.371 0.760) 5.909 3.379 ( 4.510 1.022 2.788) 5.400 3.483 ( -4.629 7.175 4.868) 9.829 3.504 ( 8.921 5.942 -11.932) 16.040 3.713 ( -4.361 4.359 -2.480) 6.646 4.310 ( -0.908 0.862 4.370) 4.546 4.350 ( 0.966 2.163 1.146) 2.631 4.464 ( 2.907 -0.774 -0.034) 3.009 4.499 ( 0.935 4.719 3.009) 5.675 4.618 ( 0.016 4.547 -4.790) 6.605 4.733 ( -2.950 0.875 -3.414) 4.596 4.817 ( -5.138 -2.341 2.420) 6.143 4.836 ( -1.371 -0.291 -4.473) 4.688 4.913 ( 2.313 -0.881 -1.285) 2.788 4.961 ( 0.069 -0.303 -0.728) 0.792 5.067 ( -0.172 0.147 5.743) 5.748 5.154 ( 1.431 -0.036 -1.709) 2.229 5.270 ( 1.193 -0.857 1.047) 1.804 5.310 ( 0.009 -0.068 1.461) 1.463 5.474 ( 2.621 -1.039 -0.609) 2.884 5.504 ( -1.202 -0.738 2.043) 2.483 5.625 ( -0.801 -1.894 0.728) 2.182 5.702 ( -0.501 0.386 -1.419) 1.553 5.773 ( -0.259 -3.212 0.748) 3.308 5.795 ( -3.340 -0.605 -1.113) 3.572 5.826 ( -1.778 0.283 -1.678) 2.460 5.879 ( -0.062 -0.385 -1.670) 1.715 5.964 ( 4.802 -1.093 -5.392) 7.302 6.022 ( -2.781 -0.604 3.424) 4.453 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 1.627 4.621 1.735) 5.197 1.368 ( -4.679 3.487 -0.493) 5.856 1.598 ( -3.669 1.846 4.049) 5.767 1.684 ( 5.024 -0.635 -4.154) 6.550 1.933 ( -0.095 0.114 5.373) 5.375 2.022 ( 1.748 -0.309 -1.248) 2.170 2.182 ( 1.547 -3.511 4.201) 5.690 2.208 ( -1.255 -1.928 1.773) 2.904 2.362 ( -4.282 -5.837 -0.668) 7.270 2.390 ( 2.576 -3.698 -1.854) 4.874 2.454 ( -3.957 -0.292 2.440) 4.658 2.480 ( -2.043 -3.025 0.899) 3.759 2.603 ( 1.770 -5.382 -0.900) 5.736 2.664 ( 1.664 -4.187 -3.796) 5.891 2.761 ( -1.017 -4.805 1.700) 5.197 2.789 ( 2.328 -4.333 0.110) 4.920 2.981 ( -1.379 2.449 2.232) 3.589 3.040 ( 0.214 1.501 -2.590) 3.001 3.139 ( 0.637 6.774 2.220) 7.157 3.185 ( 3.221 6.864 -2.787) 8.078 3.383 ( -7.270 9.321 8.272) 14.428 3.477 ( 4.330 1.089 1.252) 4.637 3.580 ( -3.375 1.977 -3.200) 5.053 3.667 ( 4.967 6.751 -8.871) 12.204 4.302 ( -0.773 1.541 5.530) 5.793 4.363 ( 0.199 1.533 0.238) 1.564 4.516 ( 1.207 1.672 -0.714) 2.183 4.533 ( 2.037 2.714 1.657) 3.776 4.607 ( 0.176 2.913 -2.253) 3.687 4.663 ( -2.944 0.936 -4.645) 5.578 4.730 ( -3.972 -0.828 5.075) 6.497 4.839 ( 2.761 -0.455 -5.010) 5.738 4.924 ( -1.454 -0.273 1.111) 1.850 4.972 ( 1.561 -0.689 -3.645) 4.025 5.069 ( -0.918 0.242 6.385) 6.455 5.171 ( 1.005 -1.017 -2.997) 3.320 5.299 ( 1.276 -0.833 1.036) 1.843 5.313 ( -0.147 -0.067 0.017) 0.162 5.479 ( -1.346 -0.153 2.365) 2.726 5.521 ( 1.859 0.846 -1.327) 2.436 5.620 ( -0.061 -2.010 3.468) 4.009 5.696 ( 0.127 -1.561 -2.988) 3.374 5.742 ( -1.159 -1.356 -0.134) 1.789 5.748 ( -1.018 -1.567 -1.187) 2.214 5.827 ( 0.737 -0.317 1.523) 1.721 5.866 ( -0.626 -0.352 -2.177) 2.292 5.962 ( -4.184 -0.548 3.108) 5.240 6.044 ( 4.257 -1.469 -4.974) 6.710 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -8.193 4.231 2.121) 9.462 1.329 ( -0.944 6.272 1.104) 6.438 1.547 ( -2.795 2.358 5.733) 6.799 1.771 ( 1.019 0.374 -4.839) 4.960 1.979 ( 3.603 -1.201 2.747) 4.688 2.100 ( 5.786 -4.849 1.728) 7.745 2.167 ( -3.077 -3.625 0.835) 4.828 2.197 ( -1.212 -3.479 4.790) 6.043 2.286 ( -1.222 -3.237 -1.730) 3.868 2.385 ( -1.302 -2.603 0.475) 2.949 2.418 ( -1.508 0.123 1.769) 2.328 2.495 ( 2.498 -1.205 1.437) 3.124 2.617 ( 0.358 -4.883 -2.782) 5.631 2.664 ( -0.625 -2.750 0.543) 2.871 2.781 ( 2.072 -1.418 -0.774) 2.627 2.833 ( 2.301 -4.983 0.768) 5.542 2.977 ( 0.246 1.306 1.598) 2.078 3.022 ( -0.828 0.091 -2.300) 2.446 3.169 ( 1.677 6.490 -0.830) 6.754 3.226 ( -6.265 9.720 11.543) 16.339 3.276 ( 0.367 3.602 -3.842) 5.279 3.496 ( -1.248 2.571 -6.645) 7.234 3.541 ( 2.255 0.431 -0.233) 2.307 3.754 ( 4.329 6.783 -6.074) 10.082 4.300 ( -0.911 1.259 4.980) 5.217 4.362 ( -0.299 1.353 0.708) 1.556 4.480 ( -3.471 3.288 -0.414) 4.799 4.552 ( 0.134 2.014 -3.720) 4.232 4.614 ( -0.817 2.328 -4.761) 5.362 4.663 ( 4.476 1.921 3.592) 6.052 4.707 ( 0.323 -0.024 6.054) 6.063 4.876 ( -2.080 -1.747 -0.123) 2.719 4.908 ( 3.249 -1.434 -3.109) 4.720 4.988 ( 0.694 1.113 -2.344) 2.686 5.063 ( -0.893 0.697 5.641) 5.754 5.178 ( 0.359 -1.109 -3.518) 3.706 5.293 ( -1.424 -0.682 -1.044) 1.892 5.326 ( 1.419 -0.937 -0.244) 1.717 5.457 ( -1.535 0.698 1.430) 2.211 5.540 ( 0.477 0.031 -1.361) 1.443 5.620 ( -0.815 -1.483 2.012) 2.629 5.697 ( 0.779 -2.681 -1.468) 3.155 5.745 ( 0.226 -2.887 1.851) 3.437 5.769 ( 3.146 -0.763 1.431) 3.539 5.828 ( -0.881 -0.157 -0.850) 1.234 5.861 ( 0.147 0.225 -0.217) 0.346 5.892 ( -2.473 0.114 1.802) 3.062 6.098 ( 2.355 -1.293 -4.069) 4.876 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -3.439 6.834 8.141) 11.172 1.371 ( 4.687 6.295 -1.941) 8.085 1.488 ( -4.434 3.018 7.211) 8.987 1.719 ( -3.395 0.393 -6.652) 7.479 2.042 ( 0.393 -3.784 4.237) 5.694 2.085 ( -1.867 -3.943 4.210) 6.063 2.155 ( 0.270 -4.480 -0.398) 4.506 2.257 ( 3.073 -2.578 1.723) 4.365 2.289 ( 0.767 -1.477 -0.446) 1.723 2.393 ( -1.556 0.873 2.970) 3.465 2.402 ( 2.864 -0.127 1.738) 3.353 2.515 ( -0.906 -1.540 0.326) 1.816 2.604 ( -1.529 -5.263 -0.946) 5.561 2.649 ( -0.480 -3.183 -4.047) 5.171 2.796 ( -1.216 1.852 1.835) 2.877 2.905 ( 1.300 2.744 3.869) 4.918 2.987 ( 4.938 -2.298 -0.860) 5.514 3.024 ( 0.441 -0.871 -0.270) 1.013 3.086 ( -4.763 6.108 6.951) 10.407 3.206 ( -4.254 1.404 -1.450) 4.709 3.259 ( 2.773 3.902 -1.968) 5.176 3.544 ( 4.681 -0.708 -8.411) 9.652 3.571 ( 2.309 2.239 -0.726) 3.297 3.788 ( 0.168 6.585 -4.810) 8.157 4.282 ( -1.727 -0.243 3.038) 3.503 4.339 ( -2.603 3.146 -0.240) 4.091 4.438 ( -0.648 2.564 3.792) 4.623 4.544 ( 0.340 2.082 -4.298) 4.788 4.612 ( 1.378 3.712 -3.458) 5.257 4.722 ( 1.305 1.662 3.240) 3.868 4.781 ( 4.570 -0.979 6.130) 7.709 4.827 ( -2.089 -0.797 0.140) 2.240 4.937 ( -0.707 0.332 -2.947) 3.048 5.003 ( 1.290 -0.449 0.124) 1.371 5.069 ( 0.950 2.077 2.581) 3.446 5.170 ( -0.263 -0.864 -3.980) 4.081 5.268 ( -0.705 -1.286 -0.655) 1.606 5.359 ( 1.977 -1.396 -1.856) 3.050 5.422 ( -2.141 -0.131 -0.280) 2.163 5.520 ( -2.720 -0.295 -0.415) 2.768 5.612 ( -0.319 -1.204 2.160) 2.493 5.705 ( -0.170 -3.331 0.840) 3.440 5.738 ( -0.824 -3.936 2.266) 4.616 5.794 ( -1.374 -1.908 -1.502) 2.791 5.855 ( 4.278 0.209 1.756) 4.629 5.868 ( 1.600 1.936 0.941) 2.682 5.901 ( 1.721 1.253 -0.401) 2.166 6.116 ( 0.314 -0.805 -3.021) 3.142 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 3.108 7.264 12.843) 15.079 1.368 ( -5.386 4.767 15.105) 16.730 1.511 ( 5.194 3.515 -10.801) 12.490 1.649 ( -1.667 1.413 -9.645) 9.890 2.024 ( -0.783 -4.047 6.754) 7.913 2.112 ( 1.429 -3.589 -1.700) 4.220 2.174 ( 2.346 -3.282 1.690) 4.374 2.289 ( 0.035 -0.713 7.767) 7.800 2.299 ( 0.329 -0.278 -1.310) 1.379 2.355 ( -3.944 3.434 7.396) 9.058 2.432 ( -1.373 -3.105 -1.391) 3.669 2.505 ( 1.673 -2.472 -1.598) 3.386 2.558 ( -2.844 -3.811 1.616) 5.022 2.641 ( 0.834 -0.918 -6.726) 6.839 2.744 ( -3.058 4.104 3.969) 6.476 2.866 ( -3.826 6.721 -2.116) 8.018 3.043 ( 2.046 -2.447 2.548) 4.083 3.071 ( 1.255 0.145 2.612) 2.902 3.108 ( -3.739 0.283 0.814) 3.837 3.178 ( 9.782 -0.355 -0.516) 9.802 3.316 ( 3.370 0.014 -3.788) 5.070 3.555 ( -0.684 -1.263 -0.982) 1.739 3.625 ( -1.089 2.006 0.050) 2.282 3.765 ( 1.229 4.634 -9.287) 10.451 4.253 ( -1.621 -1.082 1.436) 2.420 4.284 ( -2.505 2.878 -0.878) 3.916 4.443 ( -0.654 4.066 6.759) 7.914 4.559 ( 2.129 2.225 -6.282) 6.996 4.644 ( 2.485 2.683 0.034) 3.657 4.742 ( -0.268 0.538 4.234) 4.277 4.801 ( -0.009 0.409 -1.558) 1.611 4.868 ( 1.589 -1.552 3.187) 3.885 4.899 ( -0.923 2.999 0.003) 3.138 5.025 ( 1.007 -0.719 -0.112) 1.242 5.093 ( 0.626 1.575 0.823) 1.885 5.157 ( -0.311 0.880 -4.471) 4.568 5.268 ( 0.608 -1.159 0.366) 1.359 5.359 ( -1.770 -2.534 -0.273) 3.103 5.403 ( 0.523 -0.663 -2.683) 2.812 5.446 ( -4.072 -0.293 0.129) 4.085 5.618 ( 0.376 -1.776 3.369) 3.827 5.704 ( 0.180 -4.404 0.498) 4.436 5.740 ( 0.348 -3.667 0.755) 3.760 5.768 ( -0.820 -2.834 -1.692) 3.401 5.903 ( 1.341 2.741 0.880) 3.175 5.918 ( 1.535 1.875 -0.040) 2.423 5.953 ( 3.734 0.878 1.158) 4.007 6.098 ( -1.576 -0.084 -1.847) 2.429 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 1.337 9.489 10.936) 14.540 1.441 ( -0.853 7.876 9.801) 12.602 1.603 ( -1.811 5.940 -6.356) 8.886 1.706 ( 3.534 3.137 -11.643) 12.565 2.003 ( -0.430 -1.630 1.320) 2.141 2.026 ( 1.075 -4.391 -0.924) 4.615 2.129 ( 3.662 -8.261 4.991) 10.323 2.199 ( -2.233 -7.108 -2.248) 7.782 2.270 ( -2.827 -1.541 4.968) 5.920 2.366 ( 1.883 -1.146 -2.921) 3.659 2.390 ( -0.825 1.633 4.481) 4.840 2.457 ( -0.614 -1.536 -1.970) 2.572 2.500 ( 0.603 -0.550 2.450) 2.582 2.616 ( -0.798 -2.076 -7.207) 7.542 2.871 ( 0.042 8.987 5.114) 10.340 2.938 ( -1.245 5.060 -0.994) 5.305 3.009 ( -1.910 -0.650 1.685) 2.628 3.057 ( 0.683 -0.399 -1.998) 2.148 3.152 ( 2.478 0.951 5.998) 6.559 3.260 ( -0.902 0.051 -2.943) 3.078 3.389 ( 4.299 -2.462 -1.872) 5.296 3.391 ( -2.929 -3.694 -2.541) 5.355 3.663 ( -4.012 5.270 9.696) 11.742 3.841 ( 2.368 0.701 -6.797) 7.232 4.293 ( 2.066 4.303 0.062) 4.774 4.309 ( -2.632 5.247 -1.809) 6.143 4.491 ( -1.017 1.275 4.805) 5.075 4.580 ( 1.711 -2.091 -3.341) 4.297 4.714 ( -0.786 1.452 2.937) 3.370 4.762 ( 0.674 0.111 1.512) 1.659 4.802 ( 0.084 -2.298 3.107) 3.866 4.876 ( -0.236 0.830 -2.567) 2.708 4.969 ( -0.708 5.102 -0.428) 5.169 5.010 ( 0.719 0.871 -2.830) 3.047 5.161 ( -1.065 2.479 0.613) 2.767 5.172 ( -0.944 2.460 -0.659) 2.716 5.265 ( 1.833 -1.609 0.880) 2.593 5.309 ( -0.640 -1.290 -2.540) 2.920 5.347 ( -1.464 -1.714 1.143) 2.528 5.393 ( 0.299 -0.005 -2.714) 2.731 5.536 ( 0.463 -7.540 3.800) 8.456 5.599 ( 0.923 -6.416 -0.898) 6.544 5.697 ( 0.193 -2.189 -2.041) 2.999 5.711 ( 1.236 -1.470 -2.797) 3.393 5.966 ( -0.266 2.090 0.920) 2.299 5.983 ( 0.763 1.728 -0.601) 1.982 6.034 ( 1.564 1.276 1.750) 2.672 6.062 ( -2.326 0.654 -0.957) 2.599 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -3.987 9.145 8.014) 12.796 1.472 ( 2.312 8.457 4.513) 9.861 1.576 ( 0.753 6.310 -2.733) 6.918 1.744 ( 2.965 4.282 -11.383) 12.518 1.978 ( -1.736 -3.321 0.996) 3.878 2.051 ( 0.945 -3.684 -1.193) 3.986 2.121 ( -2.752 -5.408 -2.565) 6.588 2.214 ( -1.179 -4.130 1.902) 4.697 2.234 ( 1.981 -7.056 5.421) 9.115 2.361 ( -3.420 0.675 1.155) 3.673 2.415 ( 2.334 -3.361 1.917) 4.519 2.454 ( 1.223 1.356 -1.149) 2.158 2.512 ( -0.179 -0.145 2.196) 2.208 2.581 ( -1.010 -3.612 -6.516) 7.518 2.841 ( -2.841 1.242 1.330) 3.373 2.935 ( 0.308 4.213 4.768) 6.370 2.980 ( -3.554 -1.209 0.612) 3.803 3.037 ( -3.782 -3.347 1.738) 5.341 3.198 ( 0.125 1.370 0.926) 1.658 3.224 ( -0.850 -1.431 2.017) 2.615 3.337 ( 6.173 5.608 -8.363) 11.811 3.476 ( -0.137 2.514 1.615) 2.991 3.661 ( 1.506 5.243 7.334) 9.140 3.872 ( 1.532 1.085 -5.233) 5.559 4.273 ( -0.226 2.665 -0.146) 2.679 4.352 ( 3.371 5.545 0.223) 6.493 4.459 ( -2.786 0.111 2.975) 4.078 4.611 ( 1.627 0.857 -1.434) 2.332 4.682 ( -1.343 1.297 -0.118) 1.871 4.791 ( -1.440 -2.152 3.972) 4.741 4.803 ( 1.531 -0.570 -0.648) 1.758 4.857 ( -0.866 -1.974 -0.593) 2.235 4.948 ( -0.952 4.869 -1.303) 5.130 5.011 ( -1.101 2.949 -1.564) 3.515 5.120 ( -2.624 1.089 1.855) 3.393 5.153 ( -0.536 1.239 0.035) 1.350 5.264 ( -2.523 -2.180 -2.060) 3.919 5.299 ( 1.015 -1.051 0.553) 1.563 5.343 ( 0.598 -1.272 1.311) 1.922 5.437 ( 3.483 -0.280 -1.077) 3.657 5.573 ( 2.379 -6.593 2.712) 7.516 5.618 ( 0.671 -5.740 -0.257) 5.785 5.694 ( 1.593 -1.585 -5.115) 5.587 5.747 ( 2.176 -1.155 -3.022) 3.899 5.942 ( -2.215 1.641 0.474) 2.797 5.969 ( -2.091 1.079 -1.251) 2.664 6.003 ( -3.220 1.852 -0.759) 3.791 6.053 ( -0.117 0.149 2.451) 2.458 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -2.786 8.356 2.821) 9.249 1.525 ( 1.756 10.503 -2.917) 11.041 1.603 ( 1.793 4.140 4.631) 6.465 1.771 ( 1.641 3.345 -7.765) 8.613 1.947 ( -2.141 -4.211 2.937) 5.563 2.040 ( -0.853 -2.972 -2.103) 3.739 2.112 ( 1.899 -4.869 -3.258) 6.158 2.170 ( -3.378 -4.226 2.787) 6.086 2.259 ( -2.790 -3.608 -0.136) 4.564 2.315 ( 1.179 -3.697 3.736) 5.387 2.451 ( 0.919 -3.710 -0.199) 3.827 2.478 ( 0.497 -0.117 -3.491) 3.528 2.495 ( -1.267 -1.333 2.673) 3.245 2.558 ( -1.055 -4.108 -1.074) 4.375 2.777 ( -3.458 -1.473 2.128) 4.319 2.850 ( -7.631 -2.766 -0.262) 8.121 2.974 ( 1.280 0.595 0.572) 1.523 2.993 ( 1.273 -1.793 2.526) 3.349 3.218 ( 1.979 0.563 -1.834) 2.756 3.247 ( 0.697 0.484 3.534) 3.634 3.432 ( 0.983 8.929 7.275) 11.559 3.515 ( 7.499 9.277 -7.960) 14.341 3.676 ( -1.377 6.197 1.281) 6.476 3.864 ( -1.851 2.428 -0.666) 3.125 4.299 ( 2.367 1.059 1.403) 2.949 4.388 ( -1.537 1.371 1.439) 2.513 4.442 ( 2.625 3.968 1.178) 4.902 4.622 ( -0.468 6.048 2.132) 6.430 4.673 ( 0.080 -0.467 -4.114) 4.142 4.769 ( -0.470 -2.173 -0.570) 2.295 4.809 ( -0.700 -1.448 0.050) 1.609 4.849 ( -0.759 -3.556 -0.306) 3.649 4.921 ( -1.643 2.889 -1.099) 3.501 4.962 ( -2.804 0.701 -0.721) 2.979 5.083 ( -1.373 1.626 2.276) 3.116 5.160 ( 0.729 1.338 0.372) 1.569 5.230 ( -0.479 -2.064 -0.253) 2.134 5.302 ( -0.414 -1.071 0.819) 1.411 5.381 ( 2.933 -1.104 1.535) 3.489 5.483 ( 1.110 -1.077 0.645) 1.675 5.607 ( -0.001 -2.213 -0.472) 2.263 5.636 ( 1.962 -6.004 1.719) 6.546 5.733 ( 2.244 -1.176 -4.188) 4.895 5.775 ( 1.647 -1.629 -4.385) 4.960 5.881 ( -3.994 0.632 -0.146) 4.046 5.921 ( -1.596 -0.286 -2.506) 2.985 5.945 ( -2.649 2.571 -0.675) 3.752 6.041 ( -1.598 -0.755 2.606) 3.149 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 3.931 5.637 0.805) 6.920 1.535 ( 0.236 9.422 -2.596) 9.776 1.615 ( -2.149 0.691 2.636) 3.470 1.753 ( -3.357 0.446 -2.142) 4.007 1.918 ( -0.647 -1.571 5.112) 5.387 2.033 ( -0.244 -0.762 -3.187) 3.286 2.082 ( -2.196 -3.241 3.237) 5.080 2.181 ( 2.808 -3.512 -0.107) 4.498 2.221 ( -0.341 -4.705 -3.380) 5.804 2.351 ( 0.165 -6.081 1.346) 6.230 2.401 ( -4.147 -7.205 -2.217) 8.604 2.468 ( 0.239 -0.230 0.318) 0.460 2.506 ( -1.733 -1.142 2.055) 2.920 2.528 ( 0.807 -5.003 -1.342) 5.242 2.736 ( -0.532 -0.889 0.674) 1.236 2.769 ( -1.741 0.208 -0.334) 1.785 2.996 ( 1.806 0.337 0.610) 1.936 3.051 ( 2.644 0.040 -0.327) 2.665 3.233 ( -0.179 1.756 1.152) 2.107 3.262 ( 0.323 1.553 1.190) 1.983 3.464 ( 1.396 8.603 7.180) 11.292 3.617 ( -0.376 6.974 -3.949) 8.023 3.665 ( 4.757 8.641 -3.366) 10.422 3.803 ( -4.308 3.621 2.025) 5.981 4.344 ( 1.027 2.476 2.165) 3.446 4.360 ( -0.322 -0.301 1.481) 1.545 4.512 ( 3.483 4.842 1.320) 6.109 4.617 ( -0.072 6.661 2.405) 7.082 4.658 ( -0.496 -0.284 -3.928) 3.970 4.741 ( -2.709 -0.553 -1.952) 3.385 4.775 ( -3.970 -1.687 1.643) 4.617 4.824 ( 0.441 -2.010 -5.245) 5.634 4.910 ( 0.979 0.178 -1.361) 1.686 4.928 ( -1.210 -1.995 1.444) 2.744 5.079 ( 0.299 1.426 2.245) 2.676 5.160 ( -0.885 0.530 0.039) 1.032 5.246 ( 1.625 -1.390 1.910) 2.867 5.304 ( 0.734 -0.692 -0.447) 1.103 5.448 ( 2.966 -1.130 2.621) 4.117 5.490 ( 0.270 -0.934 2.472) 2.657 5.593 ( -1.243 -1.285 -1.867) 2.585 5.667 ( 0.511 -4.071 0.921) 4.205 5.728 ( -1.520 -0.855 -1.527) 2.318 5.764 ( -2.501 -2.410 -4.055) 5.339 5.833 ( -0.354 0.947 -1.187) 1.559 5.894 ( -1.450 1.538 -0.895) 2.295 5.937 ( 3.064 -1.552 -3.924) 5.215 6.004 ( -2.826 -1.233 2.371) 3.889 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -0.495 4.136 2.564) 4.892 1.472 ( -1.504 6.761 -0.975) 6.995 1.629 ( 1.719 0.491 1.735) 2.491 1.664 ( -1.452 -0.628 -1.938) 2.501 1.931 ( -0.119 -0.324 4.966) 4.978 1.998 ( -2.469 -2.378 3.353) 4.795 2.104 ( 1.665 -3.767 1.262) 4.307 2.171 ( -2.374 -1.895 -0.691) 3.115 2.224 ( -2.155 -7.307 0.649) 7.646 2.301 ( 0.961 -4.182 -3.983) 5.854 2.400 ( 0.438 -4.049 1.567) 4.364 2.482 ( -0.428 -0.084 3.180) 3.209 2.491 ( 3.197 -5.080 -6.537) 8.874 2.555 ( 1.864 -3.198 -3.753) 5.271 2.730 ( -1.587 0.531 2.428) 2.949 2.760 ( 1.369 0.038 -0.945) 1.664 3.023 ( -0.010 1.981 1.610) 2.552 3.070 ( -0.391 1.406 -2.156) 2.603 3.238 ( 0.576 2.478 1.814) 3.125 3.273 ( 1.430 1.602 -1.287) 2.504 3.502 ( 0.250 5.019 4.601) 6.814 3.583 ( -0.851 8.144 -0.771) 8.225 3.673 ( -5.910 6.659 4.442) 9.950 3.796 ( 4.940 5.339 -4.697) 8.658 4.348 ( 0.048 3.412 2.464) 4.208 4.377 ( 0.638 0.457 0.124) 0.795 4.563 ( 1.304 2.677 2.469) 3.868 4.623 ( -1.219 5.121 1.474) 5.466 4.641 ( -0.448 0.501 -3.201) 3.270 4.681 ( -1.146 0.775 -0.664) 1.535 4.729 ( -1.099 1.289 1.554) 2.299 4.822 ( 1.073 -1.521 -5.774) 6.066 4.906 ( -1.545 -1.683 1.490) 2.728 4.937 ( 1.672 -2.579 -1.202) 3.300 5.094 ( 0.189 2.150 2.560) 3.348 5.145 ( 0.159 -1.453 -1.238) 1.915 5.276 ( 0.807 -1.223 1.701) 2.245 5.317 ( 0.292 0.444 -1.498) 1.589 5.474 ( 0.413 -0.463 4.124) 4.170 5.543 ( 1.276 1.362 -0.811) 2.035 5.560 ( 0.544 -4.250 3.002) 5.232 5.642 ( -3.189 -3.473 -2.441) 5.310 5.704 ( -0.343 -1.799 -1.272) 2.230 5.719 ( -0.334 -1.544 -1.659) 2.291 5.845 ( 1.340 1.915 0.162) 2.343 5.866 ( -1.127 0.536 -1.946) 2.311 5.944 ( -3.698 -1.216 1.995) 4.375 6.004 ( 3.931 -2.549 -3.849) 6.063 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -4.708 6.500 1.632) 8.190 1.486 ( -0.664 9.058 1.913) 9.281 1.604 ( -0.780 3.324 3.416) 4.830 1.755 ( 2.840 -3.040 -1.869) 4.560 1.928 ( 0.395 -3.987 3.585) 5.376 1.981 ( 0.121 -5.644 8.045) 9.828 2.085 ( -3.184 -4.059 -2.588) 5.772 2.152 ( 1.266 -0.719 -0.138) 1.462 2.211 ( 1.101 -4.595 0.318) 4.736 2.337 ( 2.442 -2.814 -0.846) 3.821 2.388 ( -1.217 -2.276 -1.668) 3.073 2.492 ( 0.600 0.906 1.937) 2.221 2.542 ( 1.393 -5.378 -1.962) 5.892 2.583 ( 1.954 -3.414 -5.549) 6.802 2.741 ( 4.280 -0.967 -1.208) 4.551 2.776 ( 0.447 -0.295 -0.240) 0.587 3.013 ( -0.616 1.956 1.251) 2.402 3.034 ( -2.726 0.550 -1.383) 3.106 3.261 ( 1.023 1.562 -0.472) 1.926 3.284 ( -0.920 -0.422 -1.236) 1.598 3.455 ( -6.718 10.314 8.130) 14.752 3.570 ( -2.426 5.270 3.400) 6.724 3.616 ( 2.644 7.445 -3.324) 8.571 3.874 ( 3.357 4.361 -3.216) 6.374 4.350 ( -0.700 3.988 1.309) 4.255 4.384 ( 0.394 0.738 -0.041) 0.838 4.544 ( -4.269 2.933 -0.449) 5.199 4.583 ( -0.591 0.861 1.035) 1.471 4.653 ( 0.884 -0.680 2.838) 3.049 4.698 ( 2.763 4.345 -1.500) 5.363 4.732 ( 0.286 1.801 1.894) 2.629 4.846 ( 1.472 -2.224 -3.651) 4.522 4.887 ( 0.339 -0.248 0.332) 0.535 4.967 ( 1.885 -2.926 -1.111) 3.654 5.094 ( 0.027 1.703 1.033) 1.992 5.156 ( 0.369 0.008 -0.683) 0.776 5.288 ( -0.498 -0.287 -1.197) 1.328 5.301 ( -0.201 -1.018 -1.084) 1.501 5.481 ( -1.218 1.319 2.122) 2.780 5.528 ( -0.502 -1.571 -0.305) 1.678 5.568 ( -2.414 -4.781 -1.669) 5.610 5.622 ( 1.358 -2.354 5.041) 5.727 5.699 ( -0.226 -2.092 -1.092) 2.371 5.742 ( 2.456 -1.816 -0.621) 3.117 5.835 ( -0.787 0.647 -1.378) 1.714 5.880 ( -1.076 0.349 0.791) 1.380 5.893 ( 1.405 1.394 0.253) 1.995 6.061 ( 2.663 -2.502 -3.105) 4.796 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -0.819 10.116 6.254) 11.922 1.519 ( 4.046 7.903 -1.497) 9.003 1.568 ( -4.657 5.153 8.262) 10.793 1.726 ( -2.174 0.340 -3.631) 4.245 1.960 ( 0.537 -4.801 2.970) 5.670 2.016 ( 0.259 -3.642 4.075) 5.471 2.037 ( 0.425 -6.101 -1.823) 6.382 2.204 ( 3.292 -1.963 1.131) 3.997 2.237 ( 1.048 -3.972 0.783) 4.182 2.361 ( -0.958 -2.633 -1.678) 3.266 2.393 ( 3.470 -3.371 -0.172) 4.841 2.499 ( -0.786 -3.167 -1.816) 3.735 2.514 ( -2.970 0.818 3.156) 4.411 2.609 ( 2.141 -1.060 -6.534) 6.957 2.795 ( 1.696 -0.659 0.523) 1.893 2.895 ( 10.620 -2.900 -3.016) 11.414 2.979 ( -1.367 0.336 0.450) 1.478 3.018 ( 0.655 0.007 -0.678) 0.943 3.204 ( -4.969 -0.415 -0.821) 5.054 3.269 ( -5.099 7.421 5.790) 10.705 3.331 ( -3.898 5.730 2.969) 7.540 3.554 ( -0.617 2.328 -1.058) 2.631 3.675 ( 3.262 7.351 -0.382) 8.051 3.892 ( -1.023 3.440 -2.635) 4.452 4.318 ( -2.437 3.170 -0.451) 4.024 4.402 ( 0.934 1.554 0.491) 1.878 4.465 ( -2.963 2.631 0.192) 3.968 4.576 ( -0.627 1.357 1.349) 2.013 4.677 ( 1.217 0.587 1.003) 1.683 4.731 ( -0.526 0.040 2.516) 2.571 4.771 ( 4.228 0.802 0.548) 4.338 4.846 ( -0.327 0.039 -0.017) 0.329 4.923 ( 2.276 0.075 -1.308) 2.626 5.009 ( 2.693 0.069 -3.466) 4.390 5.111 ( 1.389 2.190 0.945) 2.760 5.151 ( -0.024 -0.077 -0.734) 0.739 5.248 ( -1.779 -0.371 -1.761) 2.531 5.328 ( 1.772 -1.650 -1.839) 3.041 5.437 ( -2.874 1.446 -1.887) 3.730 5.487 ( -2.852 -2.987 -0.573) 4.169 5.566 ( 0.142 -6.525 4.010) 7.660 5.613 ( -2.764 -1.006 4.025) 4.985 5.684 ( -0.840 -2.882 -1.824) 3.513 5.758 ( -0.978 -1.871 -1.287) 2.473 5.866 ( 4.011 0.757 1.093) 4.226 5.889 ( 2.439 0.427 0.335) 2.499 5.942 ( 2.769 2.815 -0.202) 3.954 6.091 ( 1.112 -1.735 -2.279) 3.072 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 2.681 11.148 9.867) 15.126 1.481 ( -5.286 6.621 11.979) 14.672 1.606 ( 4.143 5.519 -6.872) 9.739 1.688 ( -0.383 2.481 -8.017) 8.401 1.975 ( 1.263 -1.344 2.882) 3.421 2.029 ( 0.155 -4.681 1.052) 4.801 2.061 ( 2.044 -7.532 2.007) 8.058 2.235 ( -0.833 -6.135 -1.030) 6.276 2.265 ( 1.733 -1.334 3.964) 4.527 2.355 ( 0.572 -1.723 -1.485) 2.346 2.425 ( -2.874 -1.748 0.979) 3.503 2.456 ( 0.662 -5.021 1.096) 5.181 2.496 ( -0.500 2.920 -0.503) 3.005 2.630 ( 1.202 -0.557 -7.524) 7.640 2.828 ( 1.703 4.007 2.603) 5.073 2.974 ( 0.480 2.197 0.018) 2.249 3.017 ( 0.989 -1.010 -0.635) 1.549 3.094 ( -2.814 -1.672 -2.631) 4.200 3.123 ( 0.943 5.803 5.997) 8.398 3.181 ( 4.503 2.614 3.091) 6.055 3.303 ( -1.130 -1.597 -2.541) 3.207 3.515 ( -3.751 -1.235 -1.614) 4.266 3.711 ( -0.948 5.166 4.898) 7.182 3.843 ( -1.843 2.685 -4.960) 5.934 4.279 ( -0.914 2.911 -0.523) 3.096 4.372 ( -3.031 5.808 -1.765) 6.785 4.472 ( 1.624 -0.502 3.692) 4.064 4.569 ( 0.024 0.452 -0.792) 0.912 4.697 ( 0.932 1.031 0.115) 1.395 4.745 ( 0.964 -0.395 5.855) 5.947 4.814 ( -0.896 -1.218 -0.476) 1.586 4.858 ( 2.262 0.673 -0.497) 2.412 4.956 ( 1.623 2.650 -1.309) 3.372 5.025 ( -0.505 1.919 -3.336) 3.882 5.139 ( 1.719 3.092 1.552) 3.863 5.178 ( 1.874 1.105 -3.366) 4.007 5.232 ( 0.630 -2.103 0.681) 2.299 5.330 ( -1.215 -0.791 -2.373) 2.781 5.389 ( -2.024 -0.307 -0.851) 2.217 5.425 ( -2.803 -1.550 -1.568) 3.566 5.544 ( -2.289 -7.068 5.213) 9.076 5.594 ( -0.144 -4.255 1.038) 4.382 5.676 ( 0.834 -2.796 -2.249) 3.684 5.730 ( -1.332 -1.735 -1.450) 2.624 5.942 ( 2.606 1.287 0.836) 3.024 5.945 ( 3.056 1.191 0.826) 3.383 5.991 ( 2.387 2.669 0.191) 3.586 6.093 ( -0.557 -0.550 -1.495) 1.688 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -0.050 8.175 6.626) 10.523 1.624 ( 1.053 9.692 4.448) 10.715 1.694 ( 0.993 -1.299 -3.090) 3.496 1.729 ( 0.444 1.068 -4.581) 4.725 1.943 ( 0.964 -3.555 2.167) 4.274 1.958 ( 1.340 -4.851 0.693) 5.080 2.013 ( 2.062 -0.563 0.884) 2.313 2.058 ( -1.822 -5.890 -2.312) 6.585 2.251 ( -2.073 0.576 1.724) 2.757 2.302 ( 0.167 -4.132 -3.007) 5.113 2.416 ( 1.286 1.358 1.604) 2.464 2.438 ( 2.271 -0.967 0.046) 2.469 2.534 ( -1.461 2.675 -1.440) 3.371 2.578 ( -1.799 -1.939 -4.921) 5.587 2.982 ( -2.803 2.238 0.913) 3.701 3.000 ( 1.643 1.258 -0.834) 2.231 3.020 ( -3.210 1.104 1.195) 3.599 3.034 ( -0.340 -2.085 -0.722) 2.232 3.214 ( -4.927 5.407 5.410) 9.098 3.267 ( 1.214 0.816 0.683) 1.614 3.338 ( 0.715 -1.973 -0.042) 2.099 3.346 ( 6.805 -2.313 -0.594) 7.212 3.752 ( -2.293 3.936 6.399) 7.855 3.818 ( -0.184 -2.749 0.405) 2.784 4.384 ( 1.430 4.755 1.022) 5.070 4.415 ( -1.396 4.022 -1.419) 4.488 4.494 ( -0.234 -0.771 0.815) 1.146 4.531 ( -0.005 -2.979 -1.848) 3.506 4.717 ( 0.026 -0.090 4.256) 4.257 4.742 ( -1.612 -1.605 1.802) 2.902 4.797 ( 1.320 2.016 -0.425) 2.447 4.850 ( 1.058 -2.809 -3.300) 4.461 5.050 ( -1.144 2.828 -1.367) 3.343 5.064 ( 1.705 2.321 -3.237) 4.333 5.183 ( -1.795 0.294 4.199) 4.576 5.203 ( -2.885 0.944 3.481) 4.618 5.246 ( 1.626 -0.240 -1.182) 2.024 5.291 ( -0.553 -1.106 -3.881) 4.073 5.351 ( -1.539 0.997 1.462) 2.345 5.392 ( 0.469 -1.091 2.104) 2.416 5.417 ( 1.264 -1.497 -2.546) 3.212 5.480 ( 1.132 -5.384 -3.196) 6.362 5.671 ( 0.855 -0.409 -2.178) 2.375 5.682 ( 1.311 -1.332 -2.953) 3.495 5.995 ( 0.062 0.941 0.865) 1.280 6.002 ( 0.512 0.262 0.334) 0.665 6.059 ( 0.248 1.093 0.509) 1.231 6.070 ( -1.034 -0.011 -0.445) 1.126 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -1.877 8.781 4.255) 9.937 1.648 ( 1.068 8.665 1.582) 8.873 1.687 ( -0.062 2.571 -2.335) 3.474 1.742 ( 1.144 -3.575 -4.662) 5.985 1.951 ( -0.199 -1.779 -0.002) 1.790 1.963 ( -0.014 -5.265 -2.021) 5.640 2.031 ( 0.926 -0.888 -2.731) 3.017 2.080 ( 2.677 -4.833 1.440) 5.709 2.205 ( -3.011 2.027 2.884) 4.636 2.302 ( 0.153 -6.728 -0.537) 6.751 2.412 ( -1.909 3.397 -0.492) 3.927 2.464 ( 0.580 -1.239 -3.524) 3.780 2.517 ( -0.782 0.720 1.791) 2.083 2.536 ( -1.478 -1.346 -1.669) 2.604 2.880 ( -6.809 3.001 1.657) 7.623 2.947 ( -7.869 -3.073 2.005) 8.683 2.956 ( -2.193 -0.129 2.129) 3.059 2.976 ( -3.082 -2.456 0.354) 3.956 3.210 ( 1.504 0.473 3.426) 3.772 3.216 ( -0.429 0.173 0.525) 0.699 3.472 ( 10.169 6.692 -3.114) 12.565 3.532 ( 8.399 1.117 -1.068) 8.540 3.751 ( 0.401 4.308 7.149) 8.356 3.836 ( 1.182 -4.079 2.183) 4.775 4.346 ( -2.189 4.347 -0.484) 4.891 4.418 ( -2.077 -1.986 0.505) 2.918 4.492 ( 2.882 5.690 -0.000) 6.378 4.584 ( 3.733 -2.752 -0.326) 4.650 4.702 ( -1.559 -0.187 1.410) 2.110 4.723 ( -0.966 -3.203 3.988) 5.205 4.810 ( 0.025 1.721 -1.873) 2.544 4.837 ( -1.510 -0.941 -3.732) 4.134 5.014 ( -2.993 2.456 -0.384) 3.891 5.061 ( -2.375 -1.185 -3.300) 4.235 5.145 ( -1.052 2.008 2.696) 3.522 5.158 ( -1.650 1.132 4.086) 4.550 5.233 ( -1.714 0.390 -1.389) 2.241 5.288 ( -0.265 -1.961 -0.638) 2.079 5.354 ( 1.324 2.351 1.710) 3.194 5.419 ( 1.696 -3.411 2.472) 4.541 5.468 ( 4.030 -0.971 -1.753) 4.500 5.513 ( 2.657 -4.446 -2.960) 5.966 5.689 ( 2.069 0.884 -4.317) 4.868 5.718 ( 2.566 -1.788 -3.766) 4.895 5.968 ( -2.885 0.924 0.152) 3.033 5.977 ( -2.908 -0.072 -0.512) 2.954 6.037 ( -2.147 1.362 0.090) 2.544 6.053 ( -1.185 -0.310 1.276) 1.769 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -4.280 9.974 1.735) 10.991 1.661 ( -3.024 -1.581 0.220) 3.419 1.689 ( 1.996 5.320 -1.461) 5.867 1.740 ( -0.107 -3.393 -2.931) 4.485 1.945 ( -0.009 1.717 0.598) 1.819 1.985 ( 2.938 -1.936 -6.617) 7.494 2.048 ( 1.087 -0.399 -3.002) 3.218 2.109 ( -0.792 -4.943 1.917) 5.361 2.159 ( -2.026 1.767 3.858) 4.702 2.295 ( -1.467 -9.523 0.208) 9.638 2.363 ( -2.415 4.566 -0.754) 5.220 2.453 ( -0.263 -3.511 -5.600) 6.615 2.490 ( -1.942 0.623 1.524) 2.546 2.509 ( -2.214 -1.593 4.158) 4.973 2.777 ( -3.703 1.561 1.664) 4.349 2.814 ( -4.578 -1.708 0.679) 4.933 2.951 ( 1.072 -0.863 1.419) 1.977 2.964 ( 1.968 -1.681 1.168) 2.840 3.233 ( 1.316 0.840 -0.280) 1.587 3.245 ( 1.274 -0.399 2.236) 2.605 3.622 ( 4.324 8.574 2.424) 9.904 3.666 ( 6.732 4.538 -4.380) 9.224 3.770 ( -0.161 3.578 3.621) 5.093 3.848 ( -1.131 -3.811 4.738) 6.185 4.333 ( 0.868 2.289 1.374) 2.807 4.378 ( -1.375 -1.883 0.629) 2.415 4.561 ( 3.710 7.369 0.314) 8.256 4.645 ( 2.078 -0.238 -0.538) 2.160 4.687 ( -0.264 -1.021 -0.123) 1.061 4.721 ( 0.441 -5.032 3.077) 5.914 4.789 ( -1.503 0.095 -2.211) 2.675 4.793 ( -1.851 -0.773 -2.918) 3.541 4.926 ( -5.639 1.974 0.316) 5.983 4.988 ( -3.425 -2.073 -3.178) 5.111 5.155 ( 0.106 4.434 2.176) 4.940 5.171 ( 1.909 1.104 2.150) 3.080 5.196 ( -1.441 -0.496 0.270) 1.547 5.268 ( -1.173 -3.174 -0.331) 3.401 5.396 ( 2.266 2.216 2.803) 4.231 5.450 ( 0.796 -2.794 2.280) 3.693 5.544 ( 3.712 -1.881 -0.166) 4.165 5.559 ( 2.441 -2.508 -2.525) 4.316 5.724 ( 2.038 0.741 -5.089) 5.532 5.750 ( 1.162 -1.478 -3.947) 4.372 5.896 ( -3.835 0.877 -0.580) 3.977 5.912 ( -2.946 -0.652 -1.422) 3.336 5.990 ( -2.721 2.015 0.184) 3.391 6.022 ( -2.268 -1.302 1.375) 2.954 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -0.020 7.140 1.685) 7.336 1.592 ( -3.844 -4.414 2.214) 6.258 1.684 ( -1.996 4.433 -2.658) 5.541 1.722 ( -1.468 -1.418 -3.007) 3.634 1.947 ( -0.650 4.289 2.863) 5.198 2.021 ( 0.626 -0.627 -5.451) 5.523 2.046 ( -1.636 -0.598 1.249) 2.144 2.077 ( -0.142 -5.692 -0.323) 5.703 2.154 ( 0.598 -0.732 0.624) 1.133 2.237 ( -3.386 -8.006 -1.662) 8.850 2.342 ( 0.214 3.443 1.028) 3.599 2.425 ( -1.284 -4.383 -2.923) 5.423 2.480 ( 0.514 0.521 0.918) 1.174 2.496 ( 0.502 -0.966 1.499) 1.853 2.751 ( 0.146 1.623 0.724) 1.783 2.772 ( -0.957 -0.297 0.573) 1.154 3.002 ( 3.489 0.648 1.260) 3.766 3.029 ( 3.908 -1.845 1.126) 4.466 3.250 ( 0.418 0.835 -0.634) 1.128 3.267 ( 0.638 -0.631 0.394) 0.980 3.653 ( -1.266 9.148 6.200) 11.123 3.730 ( 0.057 3.220 -4.181) 5.278 3.782 ( 2.174 2.691 -1.187) 3.657 3.816 ( -2.837 -2.025 5.580) 6.579 4.367 ( 1.615 1.472 2.415) 3.257 4.386 ( 1.970 0.590 1.920) 2.814 4.615 ( 0.443 4.737 0.862) 4.835 4.652 ( -0.163 1.219 -2.090) 2.425 4.673 ( -0.385 -0.888 -0.623) 1.151 4.749 ( 0.234 -1.205 -0.010) 1.228 4.757 ( -1.425 0.221 -0.866) 1.682 4.772 ( 0.349 -3.789 -1.588) 4.123 4.851 ( -0.852 1.601 0.316) 1.841 4.927 ( -2.416 -2.777 -1.873) 4.130 5.135 ( -1.466 3.464 -0.329) 3.775 5.164 ( -2.276 -0.168 1.115) 2.540 5.233 ( 2.905 0.725 3.214) 4.393 5.277 ( 2.412 -2.376 -0.338) 3.402 5.441 ( 1.226 0.360 3.572) 3.793 5.463 ( 0.405 -1.721 2.471) 3.039 5.576 ( -0.103 -0.162 -1.537) 1.549 5.598 ( 1.470 -2.466 -0.496) 2.913 5.716 ( -1.728 -0.023 -4.097) 4.447 5.729 ( -2.133 -1.168 -3.617) 4.359 5.860 ( 0.541 1.679 -1.221) 2.146 5.894 ( 1.603 -1.691 -1.915) 3.016 5.939 ( -2.438 1.831 -0.522) 3.093 5.975 ( -2.837 -1.755 0.928) 3.463 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -0.395 3.016 3.006) 4.277 1.547 ( 2.592 -0.730 -0.776) 2.802 1.644 ( -1.084 2.830 0.309) 3.046 1.671 ( -2.805 0.270 -1.805) 3.346 1.927 ( -2.118 0.507 5.529) 5.943 1.953 ( -5.257 -1.721 7.070) 8.977 2.046 ( -0.163 -1.761 -2.065) 2.719 2.083 ( 1.007 -5.457 -1.568) 5.767 2.167 ( 0.661 1.189 -1.730) 2.201 2.227 ( 3.143 -4.185 -6.130) 8.061 2.358 ( 0.908 0.714 0.913) 1.472 2.398 ( -1.048 -2.951 -2.953) 4.304 2.506 ( 1.998 0.755 -0.215) 2.146 2.520 ( 1.848 -1.029 -1.530) 2.611 2.754 ( -0.634 1.450 1.248) 2.015 2.768 ( 0.623 0.180 -0.247) 0.694 3.057 ( 1.131 1.613 1.309) 2.365 3.081 ( 0.365 -0.509 -0.385) 0.735 3.250 ( 0.232 0.173 -0.118) 0.312 3.268 ( -0.394 -1.290 -1.385) 1.933 3.629 ( -1.973 6.981 6.389) 9.667 3.713 ( -1.166 1.194 0.452) 1.729 3.760 ( -1.993 4.665 3.291) 6.047 3.841 ( 3.298 -1.238 -2.365) 4.243 4.404 ( 0.890 2.522 2.330) 3.547 4.419 ( 0.844 2.288 0.747) 2.551 4.591 ( -1.808 0.856 2.276) 3.030 4.624 ( -1.118 -1.974 -0.851) 2.423 4.694 ( -2.234 2.037 -0.169) 3.028 4.714 ( 1.895 2.130 -1.651) 3.294 4.764 ( 0.812 0.571 -1.109) 1.489 4.778 ( 0.715 -1.545 -2.366) 2.915 4.875 ( 0.972 -1.170 0.334) 1.557 4.885 ( -1.155 -2.205 0.118) 2.492 5.123 ( -1.143 0.576 0.396) 1.340 5.134 ( 1.442 -0.055 -0.445) 1.510 5.279 ( 0.674 2.165 2.229) 3.180 5.322 ( 1.420 -0.710 -1.535) 2.208 5.454 ( 0.290 -1.173 3.948) 4.129 5.474 ( -0.610 -3.442 2.474) 4.283 5.569 ( 0.734 1.226 0.290) 1.458 5.592 ( -1.859 -1.485 -0.912) 2.548 5.682 ( -0.484 -0.362 -3.087) 3.146 5.691 ( -0.555 -1.157 -3.049) 3.308 5.886 ( -1.202 1.479 -0.576) 1.991 5.892 ( 1.347 2.546 -0.955) 3.035 5.918 ( -2.736 -1.386 0.617) 3.129 5.950 ( 3.023 -2.943 -2.432) 4.870 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.960 7.630 1.521) 7.839 1.604 ( -1.446 -1.987 2.143) 3.261 1.661 ( 1.516 0.781 2.068) 2.681 1.674 ( 5.960 0.381 -1.973) 6.290 1.873 ( -4.179 -0.633 8.053) 9.094 1.899 ( -2.354 -3.070 6.684) 7.723 2.040 ( 0.189 0.503 -1.708) 1.790 2.111 ( 1.880 -5.497 0.101) 5.811 2.184 ( 1.703 3.971 -3.300) 5.437 2.279 ( 2.908 -3.952 -4.165) 6.436 2.364 ( -1.001 -0.977 -1.020) 1.731 2.379 ( -0.006 -4.862 -1.181) 5.003 2.544 ( 2.338 1.371 -2.819) 3.910 2.560 ( 2.832 -0.477 -3.596) 4.602 2.755 ( 1.291 1.704 -0.224) 2.149 2.778 ( 0.700 -0.248 -0.207) 0.771 3.038 ( -2.955 0.341 -1.672) 3.413 3.039 ( -3.141 0.257 -0.170) 3.156 3.251 ( -1.046 -0.467 -0.835) 1.418 3.265 ( 0.713 -1.485 0.335) 1.681 3.609 ( -2.226 5.753 6.741) 9.138 3.661 ( -4.342 1.275 5.915) 7.448 3.779 ( 2.576 8.759 -0.676) 9.155 3.896 ( 2.405 -2.419 -1.533) 3.740 4.391 ( -1.350 1.104 -0.318) 1.772 4.414 ( -2.236 0.260 -0.379) 2.283 4.584 ( 0.665 2.048 4.288) 4.798 4.625 ( 0.272 -1.492 3.290) 3.623 4.640 ( -2.210 5.321 -1.548) 5.966 4.744 ( 0.326 -0.320 -0.336) 0.567 4.767 ( 0.421 -0.764 -2.092) 2.266 4.793 ( -0.218 -2.799 -2.940) 4.065 4.865 ( 2.542 0.619 -0.502) 2.664 4.916 ( 2.278 -2.544 -0.695) 3.485 5.131 ( 2.029 3.286 0.156) 3.865 5.185 ( 3.034 -0.006 -0.839) 3.148 5.266 ( -1.472 0.521 0.756) 1.735 5.303 ( -2.540 -0.696 -3.354) 4.264 5.458 ( -1.126 -2.829 3.379) 4.549 5.465 ( -1.181 -2.709 3.139) 4.312 5.548 ( -2.064 2.340 -1.069) 3.298 5.595 ( 0.308 -1.956 1.427) 2.441 5.677 ( 0.572 0.447 -2.202) 2.318 5.705 ( 1.944 -1.952 -1.523) 3.148 5.851 ( -0.862 0.953 -0.411) 1.349 5.869 ( -1.401 -0.851 0.330) 1.672 5.944 ( 3.015 3.111 -0.726) 4.393 6.005 ( 2.952 -3.125 -1.868) 4.688 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 1.603 9.686 4.549) 10.821 1.611 ( 1.207 -1.021 3.603) 3.935 1.672 ( -1.128 5.607 2.235) 6.140 1.735 ( 0.752 -0.063 -2.454) 2.568 1.857 ( 0.453 -3.811 4.845) 6.181 1.887 ( 0.664 -6.259 5.848) 8.591 2.035 ( -0.686 3.328 -1.817) 3.854 2.133 ( -0.180 -5.980 -0.912) 6.052 2.221 ( 2.638 4.043 -1.242) 4.985 2.321 ( 2.207 -1.124 -1.026) 2.681 2.346 ( -0.115 -3.215 -3.084) 4.457 2.368 ( -0.820 -5.635 1.634) 5.924 2.578 ( 1.174 2.616 -2.507) 3.809 2.602 ( 2.252 -0.220 -5.063) 5.546 2.802 ( 3.588 1.635 -0.886) 4.042 2.845 ( 7.844 -2.331 -2.972) 8.706 2.977 ( -1.815 0.057 -0.775) 1.974 2.998 ( -0.991 -1.801 -1.870) 2.780 3.219 ( -2.174 2.042 0.649) 3.052 3.268 ( -0.564 -2.524 -0.115) 2.588 3.525 ( -8.155 8.534 8.176) 14.359 3.598 ( -4.201 0.588 4.487) 6.175 3.815 ( 0.545 6.457 1.008) 6.557 3.905 ( -1.497 -2.254 -0.662) 2.785 4.355 ( -2.305 0.890 -0.735) 2.577 4.385 ( 0.638 -2.045 -0.083) 2.144 4.580 ( -3.176 6.657 -1.226) 7.477 4.609 ( -0.015 2.412 3.023) 3.867 4.654 ( 1.229 -0.652 3.746) 3.996 4.742 ( -0.033 -0.269 0.870) 0.911 4.769 ( -0.552 -4.122 -1.373) 4.380 4.783 ( 1.706 -2.000 -2.237) 3.452 4.951 ( 4.629 1.583 -1.198) 5.037 4.984 ( 5.728 -1.946 -3.624) 7.052 5.180 ( 1.236 5.089 -0.232) 5.242 5.193 ( -0.341 3.607 -0.309) 3.636 5.241 ( -2.486 -1.233 -2.994) 4.083 5.281 ( 2.638 -3.797 -1.368) 4.822 5.427 ( -2.879 -2.221 2.717) 4.540 5.436 ( -1.956 -2.497 3.240) 4.534 5.502 ( -3.049 2.114 -0.399) 3.731 5.568 ( -2.842 -3.889 -0.817) 4.885 5.673 ( -0.883 1.719 -1.097) 2.222 5.716 ( -0.853 -2.392 -0.753) 2.649 5.881 ( 3.819 0.738 0.679) 3.948 5.891 ( 3.344 -0.235 0.364) 3.372 5.999 ( 2.717 2.870 -0.513) 3.986 6.050 ( 2.064 -2.434 -1.320) 3.453 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 2.178 9.655 7.095) 12.178 1.618 ( -1.818 6.351 6.543) 9.298 1.667 ( 1.694 0.350 -2.245) 2.834 1.737 ( 0.090 0.888 -3.579) 3.688 1.892 ( 2.564 -5.148 5.298) 7.819 1.925 ( 1.583 -5.720 1.520) 6.126 2.011 ( -1.066 2.774 -1.015) 3.140 2.103 ( -2.190 -6.427 -1.121) 6.882 2.260 ( 1.152 1.496 -0.569) 1.972 2.317 ( -1.202 -3.148 -2.265) 4.060 2.376 ( 2.623 -1.376 0.319) 2.979 2.387 ( 2.294 -1.730 1.292) 3.150 2.569 ( -1.356 3.262 -1.946) 4.034 2.612 ( -0.279 -1.395 -5.221) 5.412 2.907 ( 6.962 4.552 -1.448) 8.443 2.978 ( 1.832 -0.979 0.196) 2.087 2.993 ( 2.862 -1.032 -2.166) 3.735 3.021 ( 6.196 -4.441 -4.471) 8.838 3.192 ( 1.181 2.854 2.611) 4.044 3.248 ( -1.028 -2.486 -0.028) 2.690 3.361 ( -10.090 9.791 7.197) 15.794 3.490 ( -8.070 -3.001 3.445) 9.273 3.797 ( -2.745 3.633 3.923) 6.010 3.852 ( -3.063 -1.715 -0.279) 3.521 4.343 ( 1.239 3.830 -0.115) 4.027 4.417 ( 2.065 -2.898 0.690) 3.625 4.513 ( -3.111 5.544 -2.073) 6.686 4.580 ( -2.835 -0.688 0.092) 2.919 4.691 ( 1.541 0.890 3.865) 4.255 4.753 ( 0.203 -1.391 2.998) 3.311 4.773 ( 1.024 -0.661 -1.144) 1.671 4.819 ( 2.413 -3.262 -2.484) 4.758 5.023 ( 3.246 3.669 -1.879) 5.247 5.064 ( 1.503 0.243 -3.518) 3.834 5.173 ( 1.801 0.744 2.037) 2.819 5.199 ( -0.491 -0.663 -1.230) 1.481 5.237 ( 1.188 3.973 -1.141) 4.301 5.307 ( 0.002 -1.822 -2.369) 2.989 5.387 ( -1.684 -1.820 2.198) 3.313 5.403 ( -1.920 -1.104 2.223) 3.138 5.434 ( -2.988 -0.096 -0.893) 3.120 5.503 ( -2.872 -4.882 -2.076) 6.032 5.659 ( 0.160 0.832 -1.477) 1.703 5.691 ( -1.128 -2.129 -1.159) 2.674 5.959 ( 3.374 0.562 1.062) 3.582 5.962 ( 3.252 0.369 0.557) 3.320 6.040 ( 1.649 2.245 -0.188) 2.792 6.075 ( 0.668 -1.329 -0.825) 1.701 =================== 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 3/18816 10.0 388.732 462.328 325.536 0.000 40.128 0.000 3/18816 20.0 61.984 97.621 59.932 0.000 4.181 0.000 3/18816 30.0 24.450 41.653 24.998 0.000 0.998 0.000 3/18816 40.0 13.815 23.868 14.430 0.000 0.413 0.000 3/18816 50.0 9.284 16.036 9.812 0.000 0.217 0.000 3/18816 60.0 6.909 11.902 7.362 0.000 0.129 0.000 3/18816 70.0 5.486 9.430 5.884 0.000 0.083 0.000 3/18816 80.0 4.551 7.810 4.906 0.000 0.056 0.000 3/18816 90.0 3.894 6.673 4.214 0.000 0.039 0.000 3/18816 100.0 3.407 5.834 3.699 0.000 0.028 0.000 3/18816 110.0 3.032 5.189 3.301 0.000 0.021 0.000 3/18816 120.0 2.735 4.677 2.984 0.000 0.015 0.000 3/18816 130.0 2.492 4.261 2.724 0.000 0.012 0.000 3/18816 140.0 2.291 3.916 2.508 0.000 0.009 0.000 3/18816 150.0 2.121 3.624 2.325 0.000 0.007 0.000 3/18816 160.0 1.975 3.374 2.167 0.000 0.005 0.000 3/18816 170.0 1.849 3.158 2.030 0.000 0.004 0.000 3/18816 180.0 1.738 2.968 1.910 0.000 0.003 0.000 3/18816 190.0 1.640 2.801 1.804 0.000 0.002 0.000 3/18816 200.0 1.553 2.652 1.709 0.000 0.001 0.000 3/18816 210.0 1.475 2.519 1.624 0.000 0.001 0.000 3/18816 220.0 1.405 2.398 1.547 0.000 0.000 0.000 3/18816 230.0 1.341 2.289 1.478 0.000 0.000 0.000 3/18816 240.0 1.283 2.190 1.414 0.000 -0.000 0.000 3/18816 250.0 1.229 2.099 1.356 0.000 -0.000 0.000 3/18816 260.0 1.180 2.015 1.302 0.000 -0.001 0.000 3/18816 270.0 1.135 1.938 1.253 0.000 -0.001 0.000 3/18816 280.0 1.094 1.867 1.207 0.000 -0.001 0.000 3/18816 290.0 1.055 1.801 1.164 0.000 -0.001 0.000 3/18816 300.0 1.019 1.739 1.125 0.000 -0.001 0.000 3/18816 310.0 0.985 1.682 1.088 0.000 -0.001 0.000 3/18816 320.0 0.954 1.628 1.053 0.000 -0.001 0.000 3/18816 330.0 0.924 1.578 1.021 0.000 -0.001 0.000 3/18816 340.0 0.897 1.530 0.991 0.000 -0.001 0.000 3/18816 350.0 0.871 1.486 0.962 0.000 -0.001 0.000 3/18816 360.0 0.846 1.444 0.935 0.000 -0.001 0.000 3/18816 370.0 0.823 1.404 0.909 0.000 -0.001 0.000 3/18816 380.0 0.801 1.367 0.885 0.000 -0.001 0.000 3/18816 390.0 0.780 1.331 0.862 0.000 -0.001 0.000 3/18816 400.0 0.760 1.298 0.841 0.000 -0.001 0.000 3/18816 410.0 0.741 1.266 0.820 0.000 -0.001 0.000 3/18816 420.0 0.724 1.235 0.800 0.000 -0.001 0.000 3/18816 430.0 0.707 1.206 0.781 0.000 -0.001 0.000 3/18816 440.0 0.690 1.178 0.764 0.000 -0.001 0.000 3/18816 450.0 0.675 1.152 0.746 0.000 -0.001 0.000 3/18816 460.0 0.660 1.127 0.730 0.000 -0.001 0.000 3/18816 470.0 0.646 1.102 0.715 0.000 -0.001 0.000 3/18816 480.0 0.632 1.079 0.700 0.000 -0.001 0.000 3/18816 490.0 0.619 1.057 0.685 0.000 -0.001 0.000 3/18816 500.0 0.607 1.036 0.671 0.000 -0.001 0.000 3/18816 510.0 0.595 1.015 0.658 0.000 -0.001 0.000 3/18816 520.0 0.583 0.996 0.646 0.000 -0.001 0.000 3/18816 530.0 0.572 0.977 0.633 0.000 -0.001 0.000 3/18816 540.0 0.562 0.959 0.622 0.000 -0.001 0.000 3/18816 550.0 0.551 0.941 0.610 0.000 -0.001 0.000 3/18816 560.0 0.542 0.924 0.599 0.000 -0.001 0.000 3/18816 570.0 0.532 0.908 0.589 0.000 -0.001 0.000 3/18816 580.0 0.523 0.892 0.579 0.000 -0.001 0.000 3/18816 590.0 0.514 0.877 0.569 0.000 -0.001 0.000 3/18816 600.0 0.505 0.862 0.559 0.000 -0.001 0.000 3/18816 610.0 0.497 0.848 0.550 0.000 -0.001 0.000 3/18816 620.0 0.489 0.834 0.541 0.000 -0.001 0.000 3/18816 630.0 0.481 0.821 0.533 0.000 -0.001 0.000 3/18816 640.0 0.474 0.808 0.524 0.000 -0.001 0.000 3/18816 650.0 0.466 0.796 0.516 0.000 -0.001 0.000 3/18816 660.0 0.459 0.784 0.508 0.000 -0.001 0.000 3/18816 670.0 0.452 0.772 0.501 0.000 -0.001 0.000 3/18816 680.0 0.446 0.761 0.493 0.000 -0.001 0.000 3/18816 690.0 0.439 0.750 0.486 0.000 -0.001 0.000 3/18816 700.0 0.433 0.739 0.479 0.000 -0.001 0.000 3/18816 710.0 0.427 0.728 0.472 0.000 -0.001 0.000 3/18816 720.0 0.421 0.718 0.466 0.000 -0.001 0.000 3/18816 730.0 0.415 0.708 0.459 0.000 -0.001 0.000 3/18816 740.0 0.409 0.699 0.453 0.000 -0.001 0.000 3/18816 750.0 0.404 0.689 0.447 0.000 -0.001 0.000 3/18816 760.0 0.399 0.680 0.441 0.000 -0.001 0.000 3/18816 770.0 0.393 0.672 0.436 0.000 -0.001 0.000 3/18816 780.0 0.388 0.663 0.430 0.000 -0.001 0.000 3/18816 790.0 0.383 0.654 0.425 0.000 -0.001 0.000 3/18816 800.0 0.379 0.646 0.419 0.000 -0.001 0.000 3/18816 810.0 0.374 0.638 0.414 0.000 -0.001 0.000 3/18816 820.0 0.369 0.631 0.409 0.000 -0.001 0.000 3/18816 830.0 0.365 0.623 0.404 0.000 -0.001 0.000 3/18816 840.0 0.361 0.615 0.399 0.000 -0.001 0.000 3/18816 850.0 0.356 0.608 0.395 0.000 -0.001 0.000 3/18816 860.0 0.352 0.601 0.390 0.000 -0.001 0.000 3/18816 870.0 0.348 0.594 0.386 0.000 -0.001 0.000 3/18816 880.0 0.344 0.587 0.381 0.000 -0.001 0.000 3/18816 890.0 0.340 0.581 0.377 0.000 -0.001 0.000 3/18816 900.0 0.337 0.574 0.373 0.000 -0.001 0.000 3/18816 910.0 0.333 0.568 0.369 0.000 -0.001 0.000 3/18816 920.0 0.329 0.562 0.365 0.000 -0.001 0.000 3/18816 930.0 0.326 0.556 0.361 0.000 -0.001 0.000 3/18816 940.0 0.322 0.550 0.357 0.000 -0.001 0.000 3/18816 950.0 0.319 0.544 0.353 0.000 -0.001 0.000 3/18816 960.0 0.315 0.538 0.349 0.000 -0.001 0.000 3/18816 970.0 0.312 0.533 0.346 0.000 -0.001 0.000 3/18816 980.0 0.309 0.527 0.342 0.000 -0.001 0.000 3/18816 990.0 0.306 0.522 0.339 0.000 -0.001 0.000 3/18816 1000.0 0.303 0.517 0.335 0.000 -0.001 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:45:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|