----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:58:03]------------------------- Compiled with OpenMP support (max 32 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 6.607537322777352 0.000000000000000 0.000000000000000 b 0.000000000000000 7.448536370000000 0.000000000000000 c -0.795887433408474 0.000000000000000 7.082221656888609 Atomic positions (fractional): *1 Cu 0.06038963987948 0.16321330378731 0.54640641665742 63.546 2 Cu 0.93961036012052 0.83678669621269 0.45359358334258 63.546 3 Cu 0.06038963987948 0.33678669621269 0.04640641665742 63.546 4 Cu 0.93961036012052 0.66321330378731 0.95359358334258 63.546 *5 Se 0.41183801300060 0.27856261759263 0.00115996559303 78.960 6 Se 0.41183801300060 0.22143738240737 0.50115996559303 78.960 7 Se 0.58816198699940 0.77856261759263 0.49884003440697 78.960 8 Se 0.58816198699940 0.72143738240737 0.99884003440697 78.960 *9 Se 0.89613168480574 0.39274623705363 0.72297617079155 78.960 10 Se 0.10386831519426 0.89274623705363 0.77702382920845 78.960 11 Se 0.10386831519426 0.60725376294637 0.27702382920845 78.960 12 Se 0.89613168480574 0.10725376294637 0.22297617079155 78.960 *13 Pr 0.69133485261165 0.45308686107206 0.30070348444651 140.908 14 Pr 0.30866514738835 0.95308686107206 0.19929651555349 140.908 15 Pr 0.30866514738835 0.54691313892794 0.69929651555349 140.908 16 Pr 0.69133485261165 0.04691313892794 0.80070348444651 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.607537322777352 0.000000000000000 0.000000000000000 b 0.000000000000000 7.448536370000000 0.000000000000000 c -0.795887433408474 0.000000000000000 7.082221656888609 Atomic positions (fractional): *1 Cu 0.06038963987948 0.16321330378731 0.54640641665742 63.546 > 1 2 Cu 0.93961036012052 0.83678669621269 0.45359358334258 63.546 > 2 3 Cu 0.06038963987948 0.33678669621269 0.04640641665742 63.546 > 3 4 Cu 0.93961036012052 0.66321330378731 0.95359358334258 63.546 > 4 *5 Se 0.41183801300060 0.27856261759263 0.00115996559303 78.960 > 5 6 Se 0.41183801300060 0.22143738240737 0.50115996559303 78.960 > 6 7 Se 0.58816198699940 0.77856261759263 0.49884003440697 78.960 > 7 8 Se 0.58816198699940 0.72143738240737 0.99884003440697 78.960 > 8 *9 Se 0.89613168480574 0.39274623705363 0.72297617079155 78.960 > 9 10 Se 0.10386831519426 0.89274623705363 0.77702382920845 78.960 > 10 11 Se 0.10386831519426 0.60725376294637 0.27702382920845 78.960 > 11 12 Se 0.89613168480574 0.10725376294637 0.22297617079155 78.960 > 12 *13 Pr 0.69133485261165 0.45308686107206 0.30070348444651 140.908 > 13 14 Pr 0.30866514738835 0.95308686107206 0.19929651555349 140.908 > 14 15 Pr 0.30866514738835 0.54691313892794 0.69929651555349 140.908 > 15 16 Pr 0.69133485261165 0.04691313892794 0.80070348444651 140.908 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.215074645554704 0.000000000000000 0.000000000000000 b 0.000000000000000 14.897072740000000 0.000000000000000 c -1.591774866816948 0.000000000000000 14.164443313777218 Atomic positions (fractional): *1 Cu 0.03019481993974 0.08160665189366 0.27320320832871 63.546 > 1 2 Cu 0.53019481993974 0.08160665189366 0.27320320832871 63.546 > 1 3 Cu 0.03019481993974 0.58160665189366 0.27320320832871 63.546 > 1 4 Cu 0.53019481993974 0.58160665189366 0.27320320832871 63.546 > 1 5 Cu 0.03019481993974 0.08160665189366 0.77320320832871 63.546 > 1 6 Cu 0.53019481993974 0.08160665189366 0.77320320832871 63.546 > 1 7 Cu 0.03019481993974 0.58160665189366 0.77320320832871 63.546 > 1 8 Cu 0.53019481993974 0.58160665189366 0.77320320832871 63.546 > 1 9 Cu 0.46980518006026 0.41839334810634 0.22679679167129 63.546 > 2 10 Cu 0.96980518006026 0.41839334810634 0.22679679167129 63.546 > 2 11 Cu 0.46980518006026 0.91839334810634 0.22679679167129 63.546 > 2 12 Cu 0.96980518006026 0.91839334810634 0.22679679167129 63.546 > 2 13 Cu 0.46980518006026 0.41839334810634 0.72679679167129 63.546 > 2 14 Cu 0.96980518006026 0.41839334810634 0.72679679167129 63.546 > 2 15 Cu 0.46980518006026 0.91839334810634 0.72679679167129 63.546 > 2 16 Cu 0.96980518006026 0.91839334810634 0.72679679167129 63.546 > 2 17 Cu 0.03019481993974 0.16839334810634 0.02320320832871 63.546 > 3 18 Cu 0.53019481993974 0.16839334810634 0.02320320832871 63.546 > 3 19 Cu 0.03019481993974 0.66839334810634 0.02320320832871 63.546 > 3 20 Cu 0.53019481993974 0.66839334810634 0.02320320832871 63.546 > 3 21 Cu 0.03019481993974 0.16839334810634 0.52320320832871 63.546 > 3 22 Cu 0.53019481993974 0.16839334810634 0.52320320832871 63.546 > 3 23 Cu 0.03019481993974 0.66839334810634 0.52320320832871 63.546 > 3 24 Cu 0.53019481993974 0.66839334810634 0.52320320832871 63.546 > 3 25 Cu 0.46980518006026 0.33160665189366 0.47679679167129 63.546 > 4 26 Cu 0.96980518006026 0.33160665189366 0.47679679167129 63.546 > 4 27 Cu 0.46980518006026 0.83160665189366 0.47679679167129 63.546 > 4 28 Cu 0.96980518006026 0.83160665189366 0.47679679167129 63.546 > 4 29 Cu 0.46980518006026 0.33160665189366 0.97679679167129 63.546 > 4 30 Cu 0.96980518006026 0.33160665189366 0.97679679167129 63.546 > 4 31 Cu 0.46980518006026 0.83160665189366 0.97679679167129 63.546 > 4 32 Cu 0.96980518006026 0.83160665189366 0.97679679167129 63.546 > 4 *33 Se 0.20591900650030 0.13928130879631 0.00057998279651 78.960 > 5 34 Se 0.70591900650030 0.13928130879631 0.00057998279651 78.960 > 5 35 Se 0.20591900650030 0.63928130879631 0.00057998279651 78.960 > 5 36 Se 0.70591900650030 0.63928130879631 0.00057998279651 78.960 > 5 37 Se 0.20591900650030 0.13928130879631 0.50057998279651 78.960 > 5 38 Se 0.70591900650030 0.13928130879631 0.50057998279651 78.960 > 5 39 Se 0.20591900650030 0.63928130879631 0.50057998279651 78.960 > 5 40 Se 0.70591900650030 0.63928130879631 0.50057998279651 78.960 > 5 41 Se 0.20591900650030 0.11071869120369 0.25057998279651 78.960 > 6 42 Se 0.70591900650030 0.11071869120369 0.25057998279651 78.960 > 6 43 Se 0.20591900650030 0.61071869120369 0.25057998279651 78.960 > 6 44 Se 0.70591900650030 0.61071869120369 0.25057998279651 78.960 > 6 45 Se 0.20591900650030 0.11071869120369 0.75057998279651 78.960 > 6 46 Se 0.70591900650030 0.11071869120369 0.75057998279651 78.960 > 6 47 Se 0.20591900650030 0.61071869120369 0.75057998279651 78.960 > 6 48 Se 0.70591900650030 0.61071869120369 0.75057998279651 78.960 > 6 49 Se 0.29408099349970 0.38928130879631 0.24942001720349 78.960 > 7 50 Se 0.79408099349970 0.38928130879631 0.24942001720349 78.960 > 7 51 Se 0.29408099349970 0.88928130879631 0.24942001720349 78.960 > 7 52 Se 0.79408099349970 0.88928130879631 0.24942001720349 78.960 > 7 53 Se 0.29408099349970 0.38928130879631 0.74942001720349 78.960 > 7 54 Se 0.79408099349970 0.38928130879631 0.74942001720349 78.960 > 7 55 Se 0.29408099349970 0.88928130879631 0.74942001720349 78.960 > 7 56 Se 0.79408099349970 0.88928130879631 0.74942001720349 78.960 > 7 57 Se 0.29408099349970 0.36071869120369 0.49942001720349 78.960 > 8 58 Se 0.79408099349970 0.36071869120369 0.49942001720349 78.960 > 8 59 Se 0.29408099349970 0.86071869120369 0.49942001720349 78.960 > 8 60 Se 0.79408099349970 0.86071869120369 0.49942001720349 78.960 > 8 61 Se 0.29408099349970 0.36071869120369 0.99942001720349 78.960 > 8 62 Se 0.79408099349970 0.36071869120369 0.99942001720349 78.960 > 8 63 Se 0.29408099349970 0.86071869120369 0.99942001720349 78.960 > 8 64 Se 0.79408099349970 0.86071869120369 0.99942001720349 78.960 > 8 *65 Se 0.44806584240287 0.19637311852681 0.36148808539577 78.960 > 9 66 Se 0.94806584240287 0.19637311852681 0.36148808539577 78.960 > 9 67 Se 0.44806584240287 0.69637311852681 0.36148808539577 78.960 > 9 68 Se 0.94806584240287 0.69637311852681 0.36148808539577 78.960 > 9 69 Se 0.44806584240287 0.19637311852681 0.86148808539577 78.960 > 9 70 Se 0.94806584240287 0.19637311852681 0.86148808539577 78.960 > 9 71 Se 0.44806584240287 0.69637311852681 0.86148808539577 78.960 > 9 72 Se 0.94806584240287 0.69637311852681 0.86148808539577 78.960 > 9 73 Se 0.05193415759713 0.44637311852681 0.38851191460423 78.960 > 10 74 Se 0.55193415759713 0.44637311852681 0.38851191460423 78.960 > 10 75 Se 0.05193415759713 0.94637311852681 0.38851191460423 78.960 > 10 76 Se 0.55193415759713 0.94637311852681 0.38851191460423 78.960 > 10 77 Se 0.05193415759713 0.44637311852681 0.88851191460423 78.960 > 10 78 Se 0.55193415759713 0.44637311852681 0.88851191460423 78.960 > 10 79 Se 0.05193415759713 0.94637311852681 0.88851191460423 78.960 > 10 80 Se 0.55193415759713 0.94637311852681 0.88851191460423 78.960 > 10 81 Se 0.05193415759713 0.30362688147319 0.13851191460423 78.960 > 11 82 Se 0.55193415759713 0.30362688147319 0.13851191460423 78.960 > 11 83 Se 0.05193415759713 0.80362688147319 0.13851191460423 78.960 > 11 84 Se 0.55193415759713 0.80362688147319 0.13851191460423 78.960 > 11 85 Se 0.05193415759713 0.30362688147319 0.63851191460423 78.960 > 11 86 Se 0.55193415759713 0.30362688147319 0.63851191460423 78.960 > 11 87 Se 0.05193415759713 0.80362688147319 0.63851191460423 78.960 > 11 88 Se 0.55193415759713 0.80362688147319 0.63851191460423 78.960 > 11 89 Se 0.44806584240287 0.05362688147319 0.11148808539577 78.960 > 12 90 Se 0.94806584240287 0.05362688147319 0.11148808539577 78.960 > 12 91 Se 0.44806584240287 0.55362688147319 0.11148808539577 78.960 > 12 92 Se 0.94806584240287 0.55362688147319 0.11148808539577 78.960 > 12 93 Se 0.44806584240287 0.05362688147319 0.61148808539577 78.960 > 12 94 Se 0.94806584240287 0.05362688147319 0.61148808539577 78.960 > 12 95 Se 0.44806584240287 0.55362688147319 0.61148808539577 78.960 > 12 96 Se 0.94806584240287 0.55362688147319 0.61148808539577 78.960 > 12 *97 Pr 0.34566742630582 0.22654343053603 0.15035174222325 140.908 > 13 98 Pr 0.84566742630582 0.22654343053603 0.15035174222325 140.908 > 13 99 Pr 0.34566742630582 0.72654343053603 0.15035174222325 140.908 > 13 100 Pr 0.84566742630582 0.72654343053603 0.15035174222325 140.908 > 13 101 Pr 0.34566742630582 0.22654343053603 0.65035174222325 140.908 > 13 102 Pr 0.84566742630582 0.22654343053603 0.65035174222325 140.908 > 13 103 Pr 0.34566742630582 0.72654343053603 0.65035174222325 140.908 > 13 104 Pr 0.84566742630582 0.72654343053603 0.65035174222325 140.908 > 13 105 Pr 0.15433257369418 0.47654343053603 0.09964825777675 140.908 > 14 106 Pr 0.65433257369418 0.47654343053603 0.09964825777675 140.908 > 14 107 Pr 0.15433257369418 0.97654343053603 0.09964825777675 140.908 > 14 108 Pr 0.65433257369418 0.97654343053603 0.09964825777675 140.908 > 14 109 Pr 0.15433257369418 0.47654343053603 0.59964825777675 140.908 > 14 110 Pr 0.65433257369418 0.47654343053603 0.59964825777675 140.908 > 14 111 Pr 0.15433257369418 0.97654343053603 0.59964825777675 140.908 > 14 112 Pr 0.65433257369418 0.97654343053603 0.59964825777675 140.908 > 14 113 Pr 0.15433257369418 0.27345656946397 0.34964825777675 140.908 > 15 114 Pr 0.65433257369418 0.27345656946397 0.34964825777675 140.908 > 15 115 Pr 0.15433257369418 0.77345656946397 0.34964825777675 140.908 > 15 116 Pr 0.65433257369418 0.77345656946397 0.34964825777675 140.908 > 15 117 Pr 0.15433257369418 0.27345656946397 0.84964825777675 140.908 > 15 118 Pr 0.65433257369418 0.27345656946397 0.84964825777675 140.908 > 15 119 Pr 0.15433257369418 0.77345656946397 0.84964825777675 140.908 > 15 120 Pr 0.65433257369418 0.77345656946397 0.84964825777675 140.908 > 15 121 Pr 0.34566742630582 0.02345656946397 0.40035174222325 140.908 > 16 122 Pr 0.84566742630582 0.02345656946397 0.40035174222325 140.908 > 16 123 Pr 0.34566742630582 0.52345656946397 0.40035174222325 140.908 > 16 124 Pr 0.84566742630582 0.52345656946397 0.40035174222325 140.908 > 16 125 Pr 0.34566742630582 0.02345656946397 0.90035174222325 140.908 > 16 126 Pr 0.84566742630582 0.02345656946397 0.90035174222325 140.908 > 16 127 Pr 0.34566742630582 0.52345656946397 0.90035174222325 140.908 > 16 128 Pr 0.84566742630582 0.52345656946397 0.90035174222325 140.908 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.1097082 0.0000000 1.8095313 0.0000000 15.1435512 0.0000000 1.8095189 0.0000000 15.4151855 -------------------------- Born effective charges -------------------------- 1 Cu 0.5643905 -0.0844242 0.1699597 -0.1163828 0.9357235 -0.1884352 0.0515936 -0.1603712 1.2039843 2 Cu 0.5643905 -0.0844242 0.1699597 -0.1163828 0.9357235 -0.1884352 0.0515936 -0.1603712 1.2039843 3 Cu 0.5643905 0.0844242 0.1699597 0.1163828 0.9357235 0.1884352 0.0515936 0.1603712 1.2039843 4 Cu 0.5643905 0.0844242 0.1699597 0.1163828 0.9357235 0.1884352 0.0515936 0.1603712 1.2039843 5 Se -2.5257605 0.1251021 0.2849016 0.1449066 -3.1871799 0.2547388 -0.1240611 0.3497194 -2.2046636 6 Se -2.5257605 -0.1251021 0.2849016 -0.1449066 -3.1871799 -0.2547388 -0.1240611 -0.3497194 -2.2046636 7 Se -2.5257605 -0.1251021 0.2849016 -0.1449066 -3.1871799 -0.2547388 -0.1240611 -0.3497194 -2.2046636 8 Se -2.5257605 0.1251021 0.2849016 0.1449066 -3.1871799 0.2547388 -0.1240611 0.3497194 -2.2046636 9 Se -2.2207262 -0.4707882 -0.4821507 -0.5061993 -2.7784288 0.0583831 -0.0655185 0.1664804 -3.0602373 10 Se -2.2207262 0.4707882 -0.4821507 0.5061993 -2.7784288 -0.0583831 -0.0655185 -0.1664804 -3.0602373 11 Se -2.2207262 -0.4707882 -0.4821507 -0.5061993 -2.7784288 0.0583831 -0.0655185 0.1664804 -3.0602373 12 Se -2.2207262 0.4707882 -0.4821507 0.5061993 -2.7784288 -0.0583831 -0.0655185 -0.1664804 -3.0602373 13 Pr 4.1820963 0.1030274 0.0272894 0.2012104 5.0298853 -0.0857280 0.1379859 -0.3303587 4.0609166 14 Pr 4.1820963 -0.1030274 0.0272894 -0.2012104 5.0298853 0.0857280 0.1379859 0.3303587 4.0609166 15 Pr 4.1820963 0.1030274 0.0272894 0.2012104 5.0298853 -0.0857280 0.1379859 -0.3303587 4.0609166 16 Pr 4.1820963 -0.1030274 0.0272894 -0.2012104 5.0298853 0.0857280 0.1379859 0.3303587 4.0609166 ---------------------------------------------------------------------------- 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): 0.006 Solver_block: 100 / 480 - Time: 0.773 Solver_block: 200 / 480 - Time: 0.718 Solver_block: 300 / 480 - Time: 0.719 Solver_block: 400 / 480 - Time: 0.719 Solver_block: 480 / 480 - Time: 0.685 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.684 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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 (zz) 0.00000000 (zz) 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 23:58:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:58:33]------------------------- Compiled with OpenMP support (max 32 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 6.607537322777352 0.000000000000000 0.000000000000000 b 0.000000000000000 7.448536370000000 0.000000000000000 c -0.795887433408474 0.000000000000000 7.082221656888609 Atomic positions (fractional): 1 Cu 0.06038963987948 0.16321330378731 0.54640641665742 63.546 2 Cu 0.93961036012052 0.83678669621269 0.45359358334258 63.546 3 Cu 0.06038963987948 0.33678669621269 0.04640641665742 63.546 4 Cu 0.93961036012052 0.66321330378731 0.95359358334258 63.546 5 Se 0.41183801300060 0.27856261759263 0.00115996559303 78.960 6 Se 0.41183801300060 0.22143738240737 0.50115996559303 78.960 7 Se 0.58816198699940 0.77856261759263 0.49884003440697 78.960 8 Se 0.58816198699940 0.72143738240737 0.99884003440697 78.960 9 Se 0.89613168480574 0.39274623705363 0.72297617079155 78.960 10 Se 0.10386831519426 0.89274623705363 0.77702382920845 78.960 11 Se 0.10386831519426 0.60725376294637 0.27702382920845 78.960 12 Se 0.89613168480574 0.10725376294637 0.22297617079155 78.960 13 Pr 0.69133485261165 0.45308686107206 0.30070348444651 140.908 14 Pr 0.30866514738835 0.95308686107206 0.19929651555349 140.908 15 Pr 0.30866514738835 0.54691313892794 0.69929651555349 140.908 16 Pr 0.69133485261165 0.04691313892794 0.80070348444651 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.215074645554704 0.000000000000000 0.000000000000000 b 0.000000000000000 14.897072740000000 0.000000000000000 c -1.591774866816948 0.000000000000000 14.164443313777218 Atomic positions (fractional): 1 Cu 0.03019481993974 0.08160665189366 0.27320320832871 63.546 > 1 2 Cu 0.53019481993974 0.08160665189366 0.27320320832871 63.546 > 1 3 Cu 0.03019481993974 0.58160665189366 0.27320320832871 63.546 > 1 4 Cu 0.53019481993974 0.58160665189366 0.27320320832871 63.546 > 1 5 Cu 0.03019481993974 0.08160665189366 0.77320320832871 63.546 > 1 6 Cu 0.53019481993974 0.08160665189366 0.77320320832871 63.546 > 1 7 Cu 0.03019481993974 0.58160665189366 0.77320320832871 63.546 > 1 8 Cu 0.53019481993974 0.58160665189366 0.77320320832871 63.546 > 1 9 Cu 0.46980518006026 0.41839334810634 0.22679679167129 63.546 > 9 10 Cu 0.96980518006026 0.41839334810634 0.22679679167129 63.546 > 9 11 Cu 0.46980518006026 0.91839334810634 0.22679679167129 63.546 > 9 12 Cu 0.96980518006026 0.91839334810634 0.22679679167129 63.546 > 9 13 Cu 0.46980518006026 0.41839334810634 0.72679679167129 63.546 > 9 14 Cu 0.96980518006026 0.41839334810634 0.72679679167129 63.546 > 9 15 Cu 0.46980518006026 0.91839334810634 0.72679679167129 63.546 > 9 16 Cu 0.96980518006026 0.91839334810634 0.72679679167129 63.546 > 9 17 Cu 0.03019481993974 0.16839334810634 0.02320320832871 63.546 > 17 18 Cu 0.53019481993974 0.16839334810634 0.02320320832871 63.546 > 17 19 Cu 0.03019481993974 0.66839334810634 0.02320320832871 63.546 > 17 20 Cu 0.53019481993974 0.66839334810634 0.02320320832871 63.546 > 17 21 Cu 0.03019481993974 0.16839334810634 0.52320320832871 63.546 > 17 22 Cu 0.53019481993974 0.16839334810634 0.52320320832871 63.546 > 17 23 Cu 0.03019481993974 0.66839334810634 0.52320320832871 63.546 > 17 24 Cu 0.53019481993974 0.66839334810634 0.52320320832871 63.546 > 17 25 Cu 0.46980518006026 0.33160665189366 0.47679679167129 63.546 > 25 26 Cu 0.96980518006026 0.33160665189366 0.47679679167129 63.546 > 25 27 Cu 0.46980518006026 0.83160665189366 0.47679679167129 63.546 > 25 28 Cu 0.96980518006026 0.83160665189366 0.47679679167129 63.546 > 25 29 Cu 0.46980518006026 0.33160665189366 0.97679679167129 63.546 > 25 30 Cu 0.96980518006026 0.33160665189366 0.97679679167129 63.546 > 25 31 Cu 0.46980518006026 0.83160665189366 0.97679679167129 63.546 > 25 32 Cu 0.96980518006026 0.83160665189366 0.97679679167129 63.546 > 25 33 Se 0.20591900650030 0.13928130879631 0.00057998279651 78.960 > 33 34 Se 0.70591900650030 0.13928130879631 0.00057998279651 78.960 > 33 35 Se 0.20591900650030 0.63928130879631 0.00057998279651 78.960 > 33 36 Se 0.70591900650030 0.63928130879631 0.00057998279651 78.960 > 33 37 Se 0.20591900650030 0.13928130879631 0.50057998279651 78.960 > 33 38 Se 0.70591900650030 0.13928130879631 0.50057998279651 78.960 > 33 39 Se 0.20591900650030 0.63928130879631 0.50057998279651 78.960 > 33 40 Se 0.70591900650030 0.63928130879631 0.50057998279651 78.960 > 33 41 Se 0.20591900650030 0.11071869120369 0.25057998279651 78.960 > 41 42 Se 0.70591900650030 0.11071869120369 0.25057998279651 78.960 > 41 43 Se 0.20591900650030 0.61071869120369 0.25057998279651 78.960 > 41 44 Se 0.70591900650030 0.61071869120369 0.25057998279651 78.960 > 41 45 Se 0.20591900650030 0.11071869120369 0.75057998279651 78.960 > 41 46 Se 0.70591900650030 0.11071869120369 0.75057998279651 78.960 > 41 47 Se 0.20591900650030 0.61071869120369 0.75057998279651 78.960 > 41 48 Se 0.70591900650030 0.61071869120369 0.75057998279651 78.960 > 41 49 Se 0.29408099349970 0.38928130879631 0.24942001720349 78.960 > 49 50 Se 0.79408099349970 0.38928130879631 0.24942001720349 78.960 > 49 51 Se 0.29408099349970 0.88928130879631 0.24942001720349 78.960 > 49 52 Se 0.79408099349970 0.88928130879631 0.24942001720349 78.960 > 49 53 Se 0.29408099349970 0.38928130879631 0.74942001720349 78.960 > 49 54 Se 0.79408099349970 0.38928130879631 0.74942001720349 78.960 > 49 55 Se 0.29408099349970 0.88928130879631 0.74942001720349 78.960 > 49 56 Se 0.79408099349970 0.88928130879631 0.74942001720349 78.960 > 49 57 Se 0.29408099349970 0.36071869120369 0.49942001720349 78.960 > 57 58 Se 0.79408099349970 0.36071869120369 0.49942001720349 78.960 > 57 59 Se 0.29408099349970 0.86071869120369 0.49942001720349 78.960 > 57 60 Se 0.79408099349970 0.86071869120369 0.49942001720349 78.960 > 57 61 Se 0.29408099349970 0.36071869120369 0.99942001720349 78.960 > 57 62 Se 0.79408099349970 0.36071869120369 0.99942001720349 78.960 > 57 63 Se 0.29408099349970 0.86071869120369 0.99942001720349 78.960 > 57 64 Se 0.79408099349970 0.86071869120369 0.99942001720349 78.960 > 57 65 Se 0.44806584240287 0.19637311852681 0.36148808539577 78.960 > 65 66 Se 0.94806584240287 0.19637311852681 0.36148808539577 78.960 > 65 67 Se 0.44806584240287 0.69637311852681 0.36148808539577 78.960 > 65 68 Se 0.94806584240287 0.69637311852681 0.36148808539577 78.960 > 65 69 Se 0.44806584240287 0.19637311852681 0.86148808539577 78.960 > 65 70 Se 0.94806584240287 0.19637311852681 0.86148808539577 78.960 > 65 71 Se 0.44806584240287 0.69637311852681 0.86148808539577 78.960 > 65 72 Se 0.94806584240287 0.69637311852681 0.86148808539577 78.960 > 65 73 Se 0.05193415759713 0.44637311852681 0.38851191460423 78.960 > 73 74 Se 0.55193415759713 0.44637311852681 0.38851191460423 78.960 > 73 75 Se 0.05193415759713 0.94637311852681 0.38851191460423 78.960 > 73 76 Se 0.55193415759713 0.94637311852681 0.38851191460423 78.960 > 73 77 Se 0.05193415759713 0.44637311852681 0.88851191460423 78.960 > 73 78 Se 0.55193415759713 0.44637311852681 0.88851191460423 78.960 > 73 79 Se 0.05193415759713 0.94637311852681 0.88851191460423 78.960 > 73 80 Se 0.55193415759713 0.94637311852681 0.88851191460423 78.960 > 73 81 Se 0.05193415759713 0.30362688147319 0.13851191460423 78.960 > 81 82 Se 0.55193415759713 0.30362688147319 0.13851191460423 78.960 > 81 83 Se 0.05193415759713 0.80362688147319 0.13851191460423 78.960 > 81 84 Se 0.55193415759713 0.80362688147319 0.13851191460423 78.960 > 81 85 Se 0.05193415759713 0.30362688147319 0.63851191460423 78.960 > 81 86 Se 0.55193415759713 0.30362688147319 0.63851191460423 78.960 > 81 87 Se 0.05193415759713 0.80362688147319 0.63851191460423 78.960 > 81 88 Se 0.55193415759713 0.80362688147319 0.63851191460423 78.960 > 81 89 Se 0.44806584240287 0.05362688147319 0.11148808539577 78.960 > 89 90 Se 0.94806584240287 0.05362688147319 0.11148808539577 78.960 > 89 91 Se 0.44806584240287 0.55362688147319 0.11148808539577 78.960 > 89 92 Se 0.94806584240287 0.55362688147319 0.11148808539577 78.960 > 89 93 Se 0.44806584240287 0.05362688147319 0.61148808539577 78.960 > 89 94 Se 0.94806584240287 0.05362688147319 0.61148808539577 78.960 > 89 95 Se 0.44806584240287 0.55362688147319 0.61148808539577 78.960 > 89 96 Se 0.94806584240287 0.55362688147319 0.61148808539577 78.960 > 89 97 Pr 0.34566742630582 0.22654343053603 0.15035174222325 140.908 > 97 98 Pr 0.84566742630582 0.22654343053603 0.15035174222325 140.908 > 97 99 Pr 0.34566742630582 0.72654343053603 0.15035174222325 140.908 > 97 100 Pr 0.84566742630582 0.72654343053603 0.15035174222325 140.908 > 97 101 Pr 0.34566742630582 0.22654343053603 0.65035174222325 140.908 > 97 102 Pr 0.84566742630582 0.22654343053603 0.65035174222325 140.908 > 97 103 Pr 0.34566742630582 0.72654343053603 0.65035174222325 140.908 > 97 104 Pr 0.84566742630582 0.72654343053603 0.65035174222325 140.908 > 97 105 Pr 0.15433257369418 0.47654343053603 0.09964825777675 140.908 > 105 106 Pr 0.65433257369418 0.47654343053603 0.09964825777675 140.908 > 105 107 Pr 0.15433257369418 0.97654343053603 0.09964825777675 140.908 > 105 108 Pr 0.65433257369418 0.97654343053603 0.09964825777675 140.908 > 105 109 Pr 0.15433257369418 0.47654343053603 0.59964825777675 140.908 > 105 110 Pr 0.65433257369418 0.47654343053603 0.59964825777675 140.908 > 105 111 Pr 0.15433257369418 0.97654343053603 0.59964825777675 140.908 > 105 112 Pr 0.65433257369418 0.97654343053603 0.59964825777675 140.908 > 105 113 Pr 0.15433257369418 0.27345656946397 0.34964825777675 140.908 > 113 114 Pr 0.65433257369418 0.27345656946397 0.34964825777675 140.908 > 113 115 Pr 0.15433257369418 0.77345656946397 0.34964825777675 140.908 > 113 116 Pr 0.65433257369418 0.77345656946397 0.34964825777675 140.908 > 113 117 Pr 0.15433257369418 0.27345656946397 0.84964825777675 140.908 > 113 118 Pr 0.65433257369418 0.27345656946397 0.84964825777675 140.908 > 113 119 Pr 0.15433257369418 0.77345656946397 0.84964825777675 140.908 > 113 120 Pr 0.65433257369418 0.77345656946397 0.84964825777675 140.908 > 113 121 Pr 0.34566742630582 0.02345656946397 0.40035174222325 140.908 > 121 122 Pr 0.84566742630582 0.02345656946397 0.40035174222325 140.908 > 121 123 Pr 0.34566742630582 0.52345656946397 0.40035174222325 140.908 > 121 124 Pr 0.84566742630582 0.52345656946397 0.40035174222325 140.908 > 121 125 Pr 0.34566742630582 0.02345656946397 0.90035174222325 140.908 > 121 126 Pr 0.84566742630582 0.02345656946397 0.90035174222325 140.908 > 121 127 Pr 0.34566742630582 0.52345656946397 0.90035174222325 140.908 > 121 128 Pr 0.84566742630582 0.52345656946397 0.90035174222325 140.908 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.1097082 0.0000000 1.8095313 0.0000000 15.1435512 0.0000000 1.8095189 0.0000000 15.4151855 -------------------------- Born effective charges -------------------------- 1 Cu 0.5643905 -0.0844242 0.1699597 -0.1163828 0.9357235 -0.1884352 0.0515936 -0.1603712 1.2039843 2 Cu 0.5643905 -0.0844242 0.1699597 -0.1163828 0.9357235 -0.1884352 0.0515936 -0.1603712 1.2039843 3 Cu 0.5643905 0.0844242 0.1699597 0.1163828 0.9357235 0.1884352 0.0515936 0.1603712 1.2039843 4 Cu 0.5643905 0.0844242 0.1699597 0.1163828 0.9357235 0.1884352 0.0515936 0.1603712 1.2039843 5 Se -2.5257605 0.1251021 0.2849016 0.1449066 -3.1871799 0.2547388 -0.1240611 0.3497194 -2.2046636 6 Se -2.5257605 -0.1251021 0.2849016 -0.1449066 -3.1871799 -0.2547388 -0.1240611 -0.3497194 -2.2046636 7 Se -2.5257605 -0.1251021 0.2849016 -0.1449066 -3.1871799 -0.2547388 -0.1240611 -0.3497194 -2.2046636 8 Se -2.5257605 0.1251021 0.2849016 0.1449066 -3.1871799 0.2547388 -0.1240611 0.3497194 -2.2046636 9 Se -2.2207262 -0.4707882 -0.4821507 -0.5061993 -2.7784288 0.0583831 -0.0655185 0.1664804 -3.0602373 10 Se -2.2207262 0.4707882 -0.4821507 0.5061993 -2.7784288 -0.0583831 -0.0655185 -0.1664804 -3.0602373 11 Se -2.2207262 -0.4707882 -0.4821507 -0.5061993 -2.7784288 0.0583831 -0.0655185 0.1664804 -3.0602373 12 Se -2.2207262 0.4707882 -0.4821507 0.5061993 -2.7784288 -0.0583831 -0.0655185 -0.1664804 -3.0602373 13 Pr 4.1820963 0.1030274 0.0272894 0.2012104 5.0298853 -0.0857280 0.1379859 -0.3303587 4.0609166 14 Pr 4.1820963 -0.1030274 0.0272894 -0.2012104 5.0298853 0.0857280 0.1379859 0.3303587 4.0609166 15 Pr 4.1820963 0.1030274 0.0272894 0.2012104 5.0298853 -0.0857280 0.1379859 -0.3303587 4.0609166 16 Pr 4.1820963 -0.1030274 0.0272894 -0.2012104 5.0298853 0.0857280 0.1379859 0.3303587 4.0609166 ---------------------------------------------------------------------------- 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 (zx) -0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:58:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:58:58]------------------------- Compiled with OpenMP support (max 32 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 6.607537322777352 0.000000000000000 0.000000000000000 b 0.000000000000000 7.448536370000000 0.000000000000000 c -0.795887433408474 0.000000000000000 7.082221656888609 Atomic positions (fractional): 1 Cu 0.06038963987948 0.16321330378731 0.54640641665742 63.546 2 Cu 0.93961036012052 0.83678669621269 0.45359358334258 63.546 3 Cu 0.06038963987948 0.33678669621269 0.04640641665742 63.546 4 Cu 0.93961036012052 0.66321330378731 0.95359358334258 63.546 5 Se 0.41183801300060 0.27856261759263 0.00115996559303 78.960 6 Se 0.41183801300060 0.22143738240737 0.50115996559303 78.960 7 Se 0.58816198699940 0.77856261759263 0.49884003440697 78.960 8 Se 0.58816198699940 0.72143738240737 0.99884003440697 78.960 9 Se 0.89613168480574 0.39274623705363 0.72297617079155 78.960 10 Se 0.10386831519426 0.89274623705363 0.77702382920845 78.960 11 Se 0.10386831519426 0.60725376294637 0.27702382920845 78.960 12 Se 0.89613168480574 0.10725376294637 0.22297617079155 78.960 13 Pr 0.69133485261165 0.45308686107206 0.30070348444651 140.908 14 Pr 0.30866514738835 0.95308686107206 0.19929651555349 140.908 15 Pr 0.30866514738835 0.54691313892794 0.69929651555349 140.908 16 Pr 0.69133485261165 0.04691313892794 0.80070348444651 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.215074645554704 0.000000000000000 0.000000000000000 b 0.000000000000000 14.897072740000000 0.000000000000000 c -1.591774866816948 0.000000000000000 14.164443313777218 Atomic positions (fractional): 1 Cu 0.03019481993974 0.08160665189366 0.27320320832871 63.546 > 1 2 Cu 0.53019481993974 0.08160665189366 0.27320320832871 63.546 > 1 3 Cu 0.03019481993974 0.58160665189366 0.27320320832871 63.546 > 1 4 Cu 0.53019481993974 0.58160665189366 0.27320320832871 63.546 > 1 5 Cu 0.03019481993974 0.08160665189366 0.77320320832871 63.546 > 1 6 Cu 0.53019481993974 0.08160665189366 0.77320320832871 63.546 > 1 7 Cu 0.03019481993974 0.58160665189366 0.77320320832871 63.546 > 1 8 Cu 0.53019481993974 0.58160665189366 0.77320320832871 63.546 > 1 9 Cu 0.46980518006026 0.41839334810634 0.22679679167129 63.546 > 9 10 Cu 0.96980518006026 0.41839334810634 0.22679679167129 63.546 > 9 11 Cu 0.46980518006026 0.91839334810634 0.22679679167129 63.546 > 9 12 Cu 0.96980518006026 0.91839334810634 0.22679679167129 63.546 > 9 13 Cu 0.46980518006026 0.41839334810634 0.72679679167129 63.546 > 9 14 Cu 0.96980518006026 0.41839334810634 0.72679679167129 63.546 > 9 15 Cu 0.46980518006026 0.91839334810634 0.72679679167129 63.546 > 9 16 Cu 0.96980518006026 0.91839334810634 0.72679679167129 63.546 > 9 17 Cu 0.03019481993974 0.16839334810634 0.02320320832871 63.546 > 17 18 Cu 0.53019481993974 0.16839334810634 0.02320320832871 63.546 > 17 19 Cu 0.03019481993974 0.66839334810634 0.02320320832871 63.546 > 17 20 Cu 0.53019481993974 0.66839334810634 0.02320320832871 63.546 > 17 21 Cu 0.03019481993974 0.16839334810634 0.52320320832871 63.546 > 17 22 Cu 0.53019481993974 0.16839334810634 0.52320320832871 63.546 > 17 23 Cu 0.03019481993974 0.66839334810634 0.52320320832871 63.546 > 17 24 Cu 0.53019481993974 0.66839334810634 0.52320320832871 63.546 > 17 25 Cu 0.46980518006026 0.33160665189366 0.47679679167129 63.546 > 25 26 Cu 0.96980518006026 0.33160665189366 0.47679679167129 63.546 > 25 27 Cu 0.46980518006026 0.83160665189366 0.47679679167129 63.546 > 25 28 Cu 0.96980518006026 0.83160665189366 0.47679679167129 63.546 > 25 29 Cu 0.46980518006026 0.33160665189366 0.97679679167129 63.546 > 25 30 Cu 0.96980518006026 0.33160665189366 0.97679679167129 63.546 > 25 31 Cu 0.46980518006026 0.83160665189366 0.97679679167129 63.546 > 25 32 Cu 0.96980518006026 0.83160665189366 0.97679679167129 63.546 > 25 33 Se 0.20591900650030 0.13928130879631 0.00057998279651 78.960 > 33 34 Se 0.70591900650030 0.13928130879631 0.00057998279651 78.960 > 33 35 Se 0.20591900650030 0.63928130879631 0.00057998279651 78.960 > 33 36 Se 0.70591900650030 0.63928130879631 0.00057998279651 78.960 > 33 37 Se 0.20591900650030 0.13928130879631 0.50057998279651 78.960 > 33 38 Se 0.70591900650030 0.13928130879631 0.50057998279651 78.960 > 33 39 Se 0.20591900650030 0.63928130879631 0.50057998279651 78.960 > 33 40 Se 0.70591900650030 0.63928130879631 0.50057998279651 78.960 > 33 41 Se 0.20591900650030 0.11071869120369 0.25057998279651 78.960 > 41 42 Se 0.70591900650030 0.11071869120369 0.25057998279651 78.960 > 41 43 Se 0.20591900650030 0.61071869120369 0.25057998279651 78.960 > 41 44 Se 0.70591900650030 0.61071869120369 0.25057998279651 78.960 > 41 45 Se 0.20591900650030 0.11071869120369 0.75057998279651 78.960 > 41 46 Se 0.70591900650030 0.11071869120369 0.75057998279651 78.960 > 41 47 Se 0.20591900650030 0.61071869120369 0.75057998279651 78.960 > 41 48 Se 0.70591900650030 0.61071869120369 0.75057998279651 78.960 > 41 49 Se 0.29408099349970 0.38928130879631 0.24942001720349 78.960 > 49 50 Se 0.79408099349970 0.38928130879631 0.24942001720349 78.960 > 49 51 Se 0.29408099349970 0.88928130879631 0.24942001720349 78.960 > 49 52 Se 0.79408099349970 0.88928130879631 0.24942001720349 78.960 > 49 53 Se 0.29408099349970 0.38928130879631 0.74942001720349 78.960 > 49 54 Se 0.79408099349970 0.38928130879631 0.74942001720349 78.960 > 49 55 Se 0.29408099349970 0.88928130879631 0.74942001720349 78.960 > 49 56 Se 0.79408099349970 0.88928130879631 0.74942001720349 78.960 > 49 57 Se 0.29408099349970 0.36071869120369 0.49942001720349 78.960 > 57 58 Se 0.79408099349970 0.36071869120369 0.49942001720349 78.960 > 57 59 Se 0.29408099349970 0.86071869120369 0.49942001720349 78.960 > 57 60 Se 0.79408099349970 0.86071869120369 0.49942001720349 78.960 > 57 61 Se 0.29408099349970 0.36071869120369 0.99942001720349 78.960 > 57 62 Se 0.79408099349970 0.36071869120369 0.99942001720349 78.960 > 57 63 Se 0.29408099349970 0.86071869120369 0.99942001720349 78.960 > 57 64 Se 0.79408099349970 0.86071869120369 0.99942001720349 78.960 > 57 65 Se 0.44806584240287 0.19637311852681 0.36148808539577 78.960 > 65 66 Se 0.94806584240287 0.19637311852681 0.36148808539577 78.960 > 65 67 Se 0.44806584240287 0.69637311852681 0.36148808539577 78.960 > 65 68 Se 0.94806584240287 0.69637311852681 0.36148808539577 78.960 > 65 69 Se 0.44806584240287 0.19637311852681 0.86148808539577 78.960 > 65 70 Se 0.94806584240287 0.19637311852681 0.86148808539577 78.960 > 65 71 Se 0.44806584240287 0.69637311852681 0.86148808539577 78.960 > 65 72 Se 0.94806584240287 0.69637311852681 0.86148808539577 78.960 > 65 73 Se 0.05193415759713 0.44637311852681 0.38851191460423 78.960 > 73 74 Se 0.55193415759713 0.44637311852681 0.38851191460423 78.960 > 73 75 Se 0.05193415759713 0.94637311852681 0.38851191460423 78.960 > 73 76 Se 0.55193415759713 0.94637311852681 0.38851191460423 78.960 > 73 77 Se 0.05193415759713 0.44637311852681 0.88851191460423 78.960 > 73 78 Se 0.55193415759713 0.44637311852681 0.88851191460423 78.960 > 73 79 Se 0.05193415759713 0.94637311852681 0.88851191460423 78.960 > 73 80 Se 0.55193415759713 0.94637311852681 0.88851191460423 78.960 > 73 81 Se 0.05193415759713 0.30362688147319 0.13851191460423 78.960 > 81 82 Se 0.55193415759713 0.30362688147319 0.13851191460423 78.960 > 81 83 Se 0.05193415759713 0.80362688147319 0.13851191460423 78.960 > 81 84 Se 0.55193415759713 0.80362688147319 0.13851191460423 78.960 > 81 85 Se 0.05193415759713 0.30362688147319 0.63851191460423 78.960 > 81 86 Se 0.55193415759713 0.30362688147319 0.63851191460423 78.960 > 81 87 Se 0.05193415759713 0.80362688147319 0.63851191460423 78.960 > 81 88 Se 0.55193415759713 0.80362688147319 0.63851191460423 78.960 > 81 89 Se 0.44806584240287 0.05362688147319 0.11148808539577 78.960 > 89 90 Se 0.94806584240287 0.05362688147319 0.11148808539577 78.960 > 89 91 Se 0.44806584240287 0.55362688147319 0.11148808539577 78.960 > 89 92 Se 0.94806584240287 0.55362688147319 0.11148808539577 78.960 > 89 93 Se 0.44806584240287 0.05362688147319 0.61148808539577 78.960 > 89 94 Se 0.94806584240287 0.05362688147319 0.61148808539577 78.960 > 89 95 Se 0.44806584240287 0.55362688147319 0.61148808539577 78.960 > 89 96 Se 0.94806584240287 0.55362688147319 0.61148808539577 78.960 > 89 97 Pr 0.34566742630582 0.22654343053603 0.15035174222325 140.908 > 97 98 Pr 0.84566742630582 0.22654343053603 0.15035174222325 140.908 > 97 99 Pr 0.34566742630582 0.72654343053603 0.15035174222325 140.908 > 97 100 Pr 0.84566742630582 0.72654343053603 0.15035174222325 140.908 > 97 101 Pr 0.34566742630582 0.22654343053603 0.65035174222325 140.908 > 97 102 Pr 0.84566742630582 0.22654343053603 0.65035174222325 140.908 > 97 103 Pr 0.34566742630582 0.72654343053603 0.65035174222325 140.908 > 97 104 Pr 0.84566742630582 0.72654343053603 0.65035174222325 140.908 > 97 105 Pr 0.15433257369418 0.47654343053603 0.09964825777675 140.908 > 105 106 Pr 0.65433257369418 0.47654343053603 0.09964825777675 140.908 > 105 107 Pr 0.15433257369418 0.97654343053603 0.09964825777675 140.908 > 105 108 Pr 0.65433257369418 0.97654343053603 0.09964825777675 140.908 > 105 109 Pr 0.15433257369418 0.47654343053603 0.59964825777675 140.908 > 105 110 Pr 0.65433257369418 0.47654343053603 0.59964825777675 140.908 > 105 111 Pr 0.15433257369418 0.97654343053603 0.59964825777675 140.908 > 105 112 Pr 0.65433257369418 0.97654343053603 0.59964825777675 140.908 > 105 113 Pr 0.15433257369418 0.27345656946397 0.34964825777675 140.908 > 113 114 Pr 0.65433257369418 0.27345656946397 0.34964825777675 140.908 > 113 115 Pr 0.15433257369418 0.77345656946397 0.34964825777675 140.908 > 113 116 Pr 0.65433257369418 0.77345656946397 0.34964825777675 140.908 > 113 117 Pr 0.15433257369418 0.27345656946397 0.84964825777675 140.908 > 113 118 Pr 0.65433257369418 0.27345656946397 0.84964825777675 140.908 > 113 119 Pr 0.15433257369418 0.77345656946397 0.84964825777675 140.908 > 113 120 Pr 0.65433257369418 0.77345656946397 0.84964825777675 140.908 > 113 121 Pr 0.34566742630582 0.02345656946397 0.40035174222325 140.908 > 121 122 Pr 0.84566742630582 0.02345656946397 0.40035174222325 140.908 > 121 123 Pr 0.34566742630582 0.52345656946397 0.40035174222325 140.908 > 121 124 Pr 0.84566742630582 0.52345656946397 0.40035174222325 140.908 > 121 125 Pr 0.34566742630582 0.02345656946397 0.90035174222325 140.908 > 121 126 Pr 0.84566742630582 0.02345656946397 0.90035174222325 140.908 > 121 127 Pr 0.34566742630582 0.52345656946397 0.90035174222325 140.908 > 121 128 Pr 0.84566742630582 0.52345656946397 0.90035174222325 140.908 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.1097082 0.0000000 1.8095313 0.0000000 15.1435512 0.0000000 1.8095189 0.0000000 15.4151855 -------------------------- Born effective charges -------------------------- 1 Cu 0.5643905 -0.0844242 0.1699597 -0.1163828 0.9357235 -0.1884352 0.0515936 -0.1603712 1.2039843 2 Cu 0.5643905 -0.0844242 0.1699597 -0.1163828 0.9357235 -0.1884352 0.0515936 -0.1603712 1.2039843 3 Cu 0.5643905 0.0844242 0.1699597 0.1163828 0.9357235 0.1884352 0.0515936 0.1603712 1.2039843 4 Cu 0.5643905 0.0844242 0.1699597 0.1163828 0.9357235 0.1884352 0.0515936 0.1603712 1.2039843 5 Se -2.5257605 0.1251021 0.2849016 0.1449066 -3.1871799 0.2547388 -0.1240611 0.3497194 -2.2046636 6 Se -2.5257605 -0.1251021 0.2849016 -0.1449066 -3.1871799 -0.2547388 -0.1240611 -0.3497194 -2.2046636 7 Se -2.5257605 -0.1251021 0.2849016 -0.1449066 -3.1871799 -0.2547388 -0.1240611 -0.3497194 -2.2046636 8 Se -2.5257605 0.1251021 0.2849016 0.1449066 -3.1871799 0.2547388 -0.1240611 0.3497194 -2.2046636 9 Se -2.2207262 -0.4707882 -0.4821507 -0.5061993 -2.7784288 0.0583831 -0.0655185 0.1664804 -3.0602373 10 Se -2.2207262 0.4707882 -0.4821507 0.5061993 -2.7784288 -0.0583831 -0.0655185 -0.1664804 -3.0602373 11 Se -2.2207262 -0.4707882 -0.4821507 -0.5061993 -2.7784288 0.0583831 -0.0655185 0.1664804 -3.0602373 12 Se -2.2207262 0.4707882 -0.4821507 0.5061993 -2.7784288 -0.0583831 -0.0655185 -0.1664804 -3.0602373 13 Pr 4.1820963 0.1030274 0.0272894 0.2012104 5.0298853 -0.0857280 0.1379859 -0.3303587 4.0609166 14 Pr 4.1820963 -0.1030274 0.0272894 -0.2012104 5.0298853 0.0857280 0.1379859 0.3303587 4.0609166 15 Pr 4.1820963 0.1030274 0.0272894 0.2012104 5.0298853 -0.0857280 0.1379859 -0.3303587 4.0609166 16 Pr 4.1820963 -0.1030274 0.0272894 -0.2012104 5.0298853 0.0857280 0.1379859 0.3303587 4.0609166 ---------------------------------------------------------------------------- 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 (zz) 0.00000000 (zz) --------------------------- 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 1.865 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.719 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 4.011 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.011 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.885 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 0.000 0.000) 0.000 5.929 ( 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 20.007 0.000 2.728) 20.192 0.458 ( 23.281 0.000 1.310) 23.318 0.652 ( 32.858 0.000 8.522) 33.945 1.767 ( -7.834 0.000 -2.356) 8.180 1.881 ( 0.147 0.000 -1.578) 1.585 1.933 ( -0.237 0.000 2.821) 2.831 2.086 ( -2.168 0.000 4.412) 4.916 2.179 ( -2.484 0.000 1.154) 2.739 2.305 ( 0.195 0.000 -5.361) 5.365 2.383 ( 1.054 0.000 6.935) 7.015 2.423 ( -2.058 0.000 1.423) 2.502 2.564 ( -0.273 0.000 -0.958) 0.996 2.634 ( -3.366 0.000 2.663) 4.292 2.651 ( -4.451 0.000 -5.200) 6.845 2.698 ( 0.930 0.000 -0.783) 1.216 2.857 ( 2.128 0.000 3.173) 3.821 2.891 ( -5.067 0.000 0.591) 5.101 2.966 ( 2.582 0.000 2.469) 3.573 3.238 ( -0.682 0.000 2.020) 2.132 3.287 ( 1.319 0.000 -6.349) 6.484 3.353 ( 1.579 0.000 -6.659) 6.844 3.668 ( -5.314 0.000 1.713) 5.584 3.952 ( 1.055 0.000 -1.546) 1.871 4.040 ( -0.293 0.000 6.624) 6.631 4.074 ( -0.055 0.000 -2.086) 2.087 4.277 ( 0.150 0.000 -0.558) 0.578 4.286 ( -5.785 0.000 -1.615) 6.006 4.442 ( 1.136 0.000 2.075) 2.366 4.484 ( 5.308 0.000 -0.853) 5.376 4.681 ( 0.271 0.000 0.063) 0.278 4.844 ( 1.013 0.000 4.069) 4.193 4.885 ( 1.632 0.000 -1.563) 2.260 4.899 ( -5.119 0.000 0.183) 5.122 5.011 ( -0.012 0.000 0.630) 0.631 5.068 ( 2.445 0.000 -11.906) 12.155 5.116 ( -4.676 0.000 -3.443) 5.807 5.135 ( 3.179 0.000 4.994) 5.920 5.200 ( 2.123 0.000 -0.241) 2.137 5.370 ( 2.095 0.000 0.725) 2.217 5.454 ( -2.745 0.000 -0.174) 2.751 5.537 ( -0.623 0.000 0.877) 1.075 5.710 ( 0.582 0.000 -0.014) 0.582 5.728 ( 1.243 0.000 0.859) 1.511 5.732 ( -0.241 0.000 4.362) 4.368 5.818 ( -0.935 0.000 0.975) 1.351 5.865 ( -1.995 0.000 -0.474) 2.051 5.901 ( 0.927 0.000 0.915) 1.303 6.205 ( 2.413 0.000 -6.657) 7.081 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 18.636 0.000 2.881) 18.857 0.869 ( 19.343 0.000 1.403) 19.394 1.264 ( 29.405 0.000 8.244) 30.539 1.581 ( -10.933 0.000 -1.516) 11.037 1.834 ( -5.243 0.000 -3.291) 6.191 1.908 ( -2.584 0.000 2.018) 3.278 2.096 ( 3.406 0.000 0.124) 3.408 2.136 ( -2.067 0.000 4.117) 4.606 2.282 ( -1.312 0.000 -6.012) 6.153 2.368 ( -4.045 0.000 2.867) 4.958 2.419 ( 0.767 0.000 5.817) 5.868 2.532 ( -5.154 0.000 -4.423) 6.792 2.558 ( -0.085 0.000 0.421) 0.430 2.579 ( -3.654 0.000 -3.066) 4.770 2.714 ( 1.028 0.000 -1.005) 1.438 2.762 ( -7.993 0.000 1.131) 8.073 2.920 ( 3.311 0.000 3.731) 4.988 3.045 ( 4.302 0.000 4.224) 6.029 3.224 ( -0.730 0.000 0.417) 0.841 3.294 ( 0.537 0.000 -5.873) 5.897 3.368 ( 1.205 0.000 -6.497) 6.607 3.539 ( -7.974 0.000 1.759) 8.165 3.966 ( 0.671 0.000 -1.154) 1.334 3.996 ( -6.296 0.000 -0.758) 6.341 4.064 ( -0.510 0.000 2.160) 2.219 4.206 ( -1.644 0.000 -1.046) 1.948 4.276 ( -0.096 0.000 -0.799) 0.805 4.455 ( 0.306 0.000 2.484) 2.503 4.616 ( 8.203 0.000 -1.791) 8.396 4.658 ( -2.982 0.000 0.279) 2.995 4.847 ( -0.168 0.000 0.543) 0.569 4.868 ( 0.495 0.000 3.333) 3.370 4.930 ( 2.919 0.000 0.664) 2.994 5.012 ( 0.000 0.000 -0.239) 0.239 5.029 ( -3.341 0.000 -1.965) 3.876 5.095 ( 1.869 0.000 -2.755) 3.329 5.181 ( 1.389 0.000 0.173) 1.400 5.259 ( 3.692 0.000 0.958) 3.814 5.344 ( -3.885 0.000 -2.679) 4.719 5.439 ( 0.454 0.000 1.451) 1.521 5.522 ( -1.204 0.000 1.403) 1.849 5.690 ( -1.746 0.000 0.140) 1.751 5.737 ( -0.104 0.000 1.517) 1.521 5.775 ( 2.364 0.000 0.582) 2.435 5.808 ( -0.533 0.000 1.766) 1.844 5.814 ( -2.865 0.000 -0.960) 3.022 5.924 ( 1.284 0.000 1.273) 1.808 6.243 ( 2.517 0.000 -2.857) 3.808 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 15.868 0.000 2.952) 16.140 1.167 ( 10.753 0.000 2.023) 10.942 1.381 ( -8.483 0.000 -0.930) 8.533 1.682 ( -9.467 0.000 -3.428) 10.068 1.766 ( 20.450 0.000 8.962) 22.327 1.873 ( -0.533 0.000 -0.837) 0.992 2.129 ( -0.049 0.000 7.111) 7.111 2.175 ( 1.216 0.000 -9.082) 9.163 2.259 ( 3.424 0.000 0.624) 3.480 2.299 ( -3.465 0.000 3.466) 4.901 2.412 ( -5.909 0.000 -8.801) 10.601 2.431 ( 0.147 0.000 -0.725) 0.739 2.516 ( -2.234 0.000 -2.225) 3.153 2.566 ( 0.364 0.000 4.910) 4.923 2.628 ( -5.461 0.000 1.699) 5.719 2.735 ( 1.385 0.000 -0.982) 1.698 2.983 ( 2.304 0.000 2.606) 3.478 3.059 ( -6.658 0.000 3.936) 7.735 3.217 ( -0.053 0.000 -0.171) 0.179 3.304 ( 3.489 0.000 -2.715) 4.421 3.369 ( 0.245 0.000 -4.041) 4.048 3.427 ( -2.977 0.000 -1.409) 3.294 3.843 ( -8.226 0.000 -0.342) 8.233 3.974 ( 0.290 0.000 -0.338) 0.445 4.059 ( -0.539 0.000 1.895) 1.970 4.194 ( -0.032 0.000 -1.649) 1.649 4.271 ( -0.227 0.000 -0.639) 0.678 4.478 ( 1.771 0.000 1.780) 2.511 4.591 ( -3.685 0.000 0.741) 3.759 4.757 ( 6.268 0.000 -1.578) 6.464 4.867 ( 1.389 0.000 0.384) 1.441 4.880 ( 0.729 0.000 0.368) 0.816 4.975 ( 0.141 0.000 4.134) 4.136 4.977 ( -1.329 0.000 -1.112) 1.733 5.028 ( 1.891 0.000 -1.011) 2.145 5.122 ( 1.215 0.000 -0.388) 1.276 5.196 ( 0.355 0.000 -0.141) 0.382 5.259 ( -3.926 0.000 -2.148) 4.475 5.332 ( 3.640 0.000 -0.054) 3.641 5.445 ( -0.020 0.000 0.300) 0.300 5.497 ( -1.681 0.000 1.338) 2.149 5.656 ( -1.571 0.000 0.244) 1.590 5.720 ( -1.953 0.000 0.601) 2.043 5.776 ( -0.545 0.000 -0.826) 0.990 5.802 ( -0.426 0.000 1.143) 1.220 5.811 ( 1.247 0.000 0.429) 1.319 5.951 ( 1.130 0.000 0.902) 1.446 6.280 ( 1.594 0.000 -1.216) 2.005 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.000 0.000 -0.000) 0.000 1.312 ( 0.000 0.000 -0.000) 0.000 1.316 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.877 ( -0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 -0.000) 0.000 2.143 ( 0.000 0.000 -0.000) 0.000 2.275 ( 0.000 0.000 -0.000) 0.000 2.320 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 -0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 -0.000) 0.000 2.587 ( 0.000 0.000 -0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 -0.000) 0.000 3.009 ( 0.000 0.000 -0.000) 0.000 3.217 ( 0.000 0.000 -0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.376 ( -0.000 0.000 -0.000) 0.000 3.390 ( 0.000 0.000 -0.000) 0.000 3.747 ( 0.000 0.000 -0.000) 0.000 3.976 ( 0.000 0.000 -0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 -0.000) 0.000 4.267 ( 0.000 0.000 -0.000) 0.000 4.523 ( 0.000 0.000 -0.000) 0.000 4.532 ( 0.000 0.000 -0.000) 0.000 4.815 ( 0.000 0.000 -0.000) 0.000 4.883 ( 0.000 0.000 -0.000) 0.000 4.902 ( 0.000 0.000 -0.000) 0.000 4.950 ( -0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.056 ( 0.000 0.000 -0.000) 0.000 5.134 ( 0.000 0.000 -0.000) 0.000 5.199 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.375 ( -0.000 0.000 -0.000) 0.000 5.444 ( 0.000 0.000 -0.000) 0.000 5.475 ( 0.000 0.000 -0.000) 0.000 5.640 ( 0.000 0.000 -0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 -0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 -0.000) 0.000 5.964 ( 0.000 0.000 -0.000) 0.000 6.294 ( 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 0.000 22.573 0.000) 22.573 0.490 ( 0.000 25.125 0.000) 25.125 0.861 ( 0.000 43.485 0.000) 43.485 1.857 ( 0.000 -1.140 0.000) 1.140 1.899 ( 0.000 2.367 0.000) 2.367 1.954 ( 0.000 4.120 0.000) 4.120 2.123 ( 0.000 4.010 0.000) 4.010 2.140 ( 0.000 -5.708 0.000) 5.708 2.333 ( 0.000 -2.293 0.000) 2.293 2.354 ( 0.000 4.193 0.000) 4.193 2.481 ( 0.000 2.862 0.000) 2.862 2.511 ( 0.000 -9.382 0.000) 9.382 2.571 ( 0.000 -6.949 0.000) 6.949 2.596 ( 0.000 -2.925 0.000) 2.925 2.728 ( 0.000 -1.201 0.000) 1.201 2.864 ( 0.000 0.270 0.000) 0.270 2.888 ( 0.000 -2.523 0.000) 2.523 3.075 ( 0.000 7.882 0.000) 7.882 3.122 ( 0.000 7.481 0.000) 7.481 3.220 ( 0.000 -1.638 0.000) 1.638 3.327 ( 0.000 -4.730 0.000) 4.730 3.666 ( 0.000 -5.587 0.000) 5.587 3.735 ( 0.000 -12.886 0.000) 12.886 4.125 ( 0.000 4.862 0.000) 4.862 4.149 ( 0.000 2.507 0.000) 2.507 4.253 ( 0.000 -0.444 0.000) 0.444 4.400 ( 0.000 -0.879 0.000) 0.879 4.448 ( 0.000 -8.161 0.000) 8.161 4.471 ( 0.000 5.490 0.000) 5.490 4.679 ( 0.000 3.843 0.000) 3.843 4.766 ( 0.000 -6.519 0.000) 6.519 4.893 ( 0.000 0.081 0.000) 0.081 4.984 ( 0.000 -0.026 0.000) 0.026 5.020 ( 0.000 0.139 0.000) 0.139 5.053 ( 0.000 0.033 0.000) 0.033 5.116 ( 0.000 3.434 0.000) 3.434 5.216 ( 0.000 2.920 0.000) 2.920 5.327 ( 0.000 -0.157 0.000) 0.157 5.394 ( 0.000 2.814 0.000) 2.814 5.424 ( 0.000 -0.572 0.000) 0.572 5.519 ( 0.000 -1.938 0.000) 1.938 5.523 ( 0.000 4.055 0.000) 4.055 5.728 ( 0.000 -0.017 0.000) 0.017 5.802 ( 0.000 -0.603 0.000) 0.603 5.869 ( 0.000 -0.827 0.000) 0.827 5.888 ( 0.000 0.295 0.000) 0.295 5.946 ( 0.000 1.107 0.000) 1.107 6.295 ( 0.000 -0.996 0.000) 0.996 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 12.237 15.238 5.101) 20.198 0.602 ( 12.151 17.985 3.397) 21.969 1.089 ( 18.766 32.282 2.421) 37.419 1.803 ( -5.731 3.212 -1.448) 6.727 1.901 ( -0.084 1.031 0.898) 1.369 1.959 ( -0.228 3.542 -0.259) 3.559 2.081 ( -2.630 -2.330 0.750) 3.592 2.154 ( -0.265 0.181 1.484) 1.518 2.308 ( -1.409 -1.938 -3.440) 4.192 2.365 ( -0.254 1.737 3.238) 3.683 2.460 ( -0.715 -0.351 1.519) 1.715 2.526 ( 0.199 -3.630 0.618) 3.688 2.565 ( -1.713 -6.727 2.056) 7.240 2.596 ( -0.126 -2.927 -2.387) 3.779 2.688 ( -2.101 -0.825 -2.542) 3.400 2.849 ( -1.417 0.383 -1.593) 2.166 2.852 ( -3.165 -1.849 2.440) 4.403 3.062 ( 0.468 5.006 3.939) 6.387 3.194 ( 4.214 -0.002 -2.758) 5.036 3.238 ( 0.342 0.199 0.804) 0.896 3.340 ( 2.195 -4.048 -5.757) 7.373 3.623 ( -4.438 -4.295 1.119) 6.277 3.763 ( 2.543 -11.784 -0.518) 12.067 4.122 ( -0.554 3.763 -4.010) 5.527 4.142 ( -1.590 1.265 3.860) 4.362 4.254 ( 0.024 0.210 1.420) 1.436 4.344 ( -2.600 4.623 0.228) 5.309 4.451 ( 0.387 -2.142 1.488) 2.637 4.542 ( 3.931 -3.875 -1.941) 5.851 4.635 ( -1.032 7.443 0.027) 7.514 4.777 ( 0.681 -5.630 1.600) 5.892 4.926 ( 1.467 -0.023 -1.865) 2.373 4.934 ( -3.083 1.472 -0.094) 3.417 4.961 ( -3.185 -0.412 1.107) 3.397 5.078 ( 0.885 0.407 -2.236) 2.439 5.133 ( 0.900 2.842 1.043) 3.159 5.219 ( 1.096 1.937 -0.636) 2.315 5.282 ( -2.661 6.311 -2.865) 7.424 5.370 ( 0.159 -0.393 -1.630) 1.684 5.493 ( -2.418 3.011 1.793) 4.258 5.516 ( -0.115 -1.350 -0.449) 1.428 5.543 ( 4.895 -5.705 3.448) 8.270 5.722 ( -0.763 0.222 0.845) 1.160 5.801 ( -0.172 -0.027 1.398) 1.409 5.858 ( -2.114 0.692 0.329) 2.248 5.884 ( 0.844 -0.729 0.369) 1.175 5.929 ( -1.444 4.101 -0.919) 4.444 6.227 ( -2.254 0.800 -3.958) 4.624 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 16.755 8.501 0.052) 18.788 0.893 ( 16.749 6.480 5.920) 18.909 1.448 ( 15.361 14.663 6.529) 22.218 1.643 ( -9.914 6.428 -0.357) 11.821 1.879 ( -2.819 2.401 -1.712) 4.080 1.917 ( -3.135 3.615 -0.555) 4.817 2.070 ( 0.822 -3.996 2.966) 5.044 2.168 ( 3.185 4.183 -0.415) 5.274 2.272 ( -1.837 -2.219 -1.529) 3.262 2.343 ( -1.962 -0.374 -2.101) 2.899 2.451 ( -3.418 0.277 6.767) 7.586 2.507 ( -2.555 -2.309 -2.863) 4.478 2.531 ( 0.232 -2.718 0.739) 2.826 2.560 ( -1.454 -0.647 -4.772) 5.030 2.687 ( 0.014 -2.248 0.459) 2.295 2.741 ( -4.876 -1.644 -0.266) 5.152 2.872 ( 1.911 -0.992 2.273) 3.131 3.110 ( 2.701 2.722 4.538) 5.941 3.214 ( -0.532 0.209 -2.046) 2.125 3.262 ( 2.401 -2.423 -3.327) 4.765 3.370 ( 1.965 -2.043 -5.987) 6.624 3.508 ( -7.779 -1.944 1.352) 8.132 3.810 ( 1.877 -9.880 1.110) 10.117 4.036 ( -6.787 1.052 -2.552) 7.326 4.130 ( -0.705 4.028 1.201) 4.262 4.264 ( 0.512 3.716 2.086) 4.292 4.324 ( 0.025 4.529 -0.953) 4.628 4.463 ( 0.532 0.898 0.960) 1.419 4.587 ( 1.500 -4.453 -1.022) 4.809 4.668 ( 3.183 3.811 -0.202) 4.970 4.799 ( 1.733 -2.243 1.025) 3.014 4.874 ( -1.696 -0.356 1.965) 2.620 4.934 ( -0.108 -0.226 1.833) 1.850 4.958 ( 0.668 -3.079 -0.936) 3.287 5.051 ( -2.475 1.589 -3.214) 4.357 5.150 ( 1.284 3.377 -0.637) 3.669 5.252 ( -0.100 4.556 -1.928) 4.948 5.266 ( 2.563 1.050 2.177) 3.523 5.344 ( -2.303 -0.348 -2.969) 3.774 5.445 ( -2.377 0.386 1.644) 2.916 5.505 ( -0.971 -1.250 0.185) 1.594 5.618 ( 2.339 -6.331 2.140) 7.081 5.702 ( -1.412 0.912 0.439) 1.737 5.798 ( -0.799 0.132 1.429) 1.642 5.814 ( -2.340 0.857 0.021) 2.492 5.899 ( 0.007 3.926 -0.718) 3.991 5.916 ( 1.055 0.617 1.533) 1.961 6.223 ( 1.575 -2.013 -2.333) 3.461 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 12.314 6.357 2.681) 14.115 1.208 ( 14.495 2.955 0.944) 14.823 1.432 ( -8.354 4.953 0.399) 9.720 1.664 ( 3.564 -4.873 6.124) 8.599 1.744 ( -8.991 6.117 -3.773) 11.510 1.947 ( 4.842 3.927 1.851) 6.503 2.098 ( 1.033 -3.592 4.670) 5.982 2.198 ( -2.906 1.641 -3.208) 4.629 2.292 ( 2.428 1.682 -0.783) 3.056 2.302 ( 1.656 -0.542 -1.321) 2.186 2.361 ( -5.051 -3.058 -1.055) 5.999 2.438 ( -3.011 -0.016 -2.266) 3.768 2.534 ( -0.700 0.869 -3.354) 3.535 2.582 ( -1.628 2.606 0.094) 3.075 2.620 ( 2.508 0.853 4.385) 5.122 2.759 ( 3.405 1.662 -1.811) 4.199 2.919 ( 1.932 -3.316 2.267) 4.457 3.115 ( -4.852 2.563 3.041) 6.273 3.213 ( -0.163 0.060 0.008) 0.174 3.290 ( 1.462 -3.102 -1.993) 3.967 3.373 ( -3.681 -4.992 0.382) 6.214 3.394 ( 1.296 3.285 -5.527) 6.559 3.812 ( -3.307 -6.071 2.647) 7.403 3.916 ( -3.063 0.252 -1.997) 3.666 4.113 ( -1.050 4.187 -0.339) 4.330 4.276 ( 0.354 5.929 0.790) 5.992 4.328 ( 0.312 4.869 -0.246) 4.886 4.479 ( 1.113 0.374 0.519) 1.284 4.576 ( -1.958 -0.525 -0.022) 2.027 4.748 ( 4.568 -1.728 -0.143) 4.886 4.838 ( 1.228 -0.282 -0.083) 1.262 4.875 ( 1.442 -1.682 1.659) 2.768 4.943 ( -0.363 -2.841 2.248) 3.640 4.955 ( -0.317 -2.382 0.138) 2.407 5.009 ( -0.735 0.228 -2.413) 2.533 5.173 ( 0.833 2.104 -1.864) 2.932 5.231 ( -1.747 3.077 1.118) 3.711 5.282 ( -1.259 1.862 -1.013) 2.465 5.342 ( 3.167 1.067 -0.729) 3.420 5.414 ( -1.281 -3.220 0.628) 3.521 5.483 ( -1.341 -1.121 0.438) 1.802 5.640 ( -0.485 -4.141 1.432) 4.409 5.683 ( -0.151 -0.421 -0.243) 0.509 5.757 ( -2.412 2.072 -0.235) 3.188 5.794 ( -0.592 -0.814 0.944) 1.380 5.903 ( 0.436 4.593 -0.009) 4.614 5.945 ( 1.187 -0.469 1.040) 1.646 6.251 ( 1.425 -2.874 -1.084) 3.386 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.000 3.026 -0.000) 3.026 1.305 ( 0.000 5.918 0.000) 5.918 1.451 ( 0.000 8.541 0.000) 8.541 1.562 ( 0.000 0.285 -0.000) 0.285 1.716 ( 0.000 -8.530 0.000) 8.530 2.025 ( 0.000 -0.279 0.000) 0.279 2.079 ( 0.000 -2.575 -0.000) 2.575 2.177 ( 0.000 3.211 -0.000) 3.211 2.281 ( 0.000 -4.105 0.000) 4.105 2.290 ( 0.000 1.792 0.000) 1.792 2.375 ( 0.000 -3.450 -0.000) 3.450 2.392 ( 0.000 1.290 -0.000) 1.290 2.518 ( 0.000 1.310 -0.000) 1.310 2.545 ( 0.000 0.801 0.000) 0.801 2.701 ( 0.000 4.366 -0.000) 4.366 2.849 ( 0.000 10.494 -0.000) 10.494 2.915 ( 0.000 -1.337 -0.000) 1.337 3.007 ( 0.000 -0.090 0.000) 0.090 3.204 ( -0.000 -1.697 -0.000) 1.697 3.305 ( 0.000 -4.852 -0.000) 4.852 3.354 ( 0.000 -4.176 0.000) 4.176 3.411 ( 0.000 3.544 -0.000) 3.544 3.755 ( 0.000 -0.920 0.000) 0.920 3.901 ( 0.000 -3.618 0.000) 3.618 4.100 ( 0.000 4.208 0.000) 4.208 4.280 ( 0.000 6.629 -0.000) 6.629 4.331 ( 0.000 5.646 -0.000) 5.646 4.499 ( 0.000 -1.920 0.000) 1.920 4.547 ( 0.000 1.863 0.000) 1.863 4.799 ( 0.000 -3.255 0.000) 3.255 4.845 ( 0.000 -0.334 0.000) 0.334 4.910 ( 0.000 -1.068 -0.000) 1.068 4.921 ( -0.000 -2.768 -0.000) 2.768 4.957 ( -0.000 -2.089 -0.000) 2.089 5.007 ( 0.000 -1.687 0.000) 1.687 5.165 ( 0.000 -1.823 0.000) 1.823 5.221 ( 0.000 6.059 -0.000) 6.059 5.270 ( 0.000 2.774 0.000) 2.774 5.382 ( 0.000 0.709 0.000) 0.709 5.400 ( 0.000 -4.586 -0.000) 4.586 5.465 ( 0.000 -0.797 -0.000) 0.797 5.631 ( 0.000 -2.081 -0.000) 2.081 5.685 ( 0.000 -2.444 0.000) 2.444 5.731 ( 0.000 2.602 0.000) 2.602 5.789 ( 0.000 -0.944 -0.000) 0.944 5.908 ( 0.000 4.413 -0.000) 4.413 5.958 ( 0.000 -0.534 0.000) 0.534 6.264 ( 0.000 -3.028 0.000) 3.028 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 21.100 0.000) 21.100 0.956 ( 0.000 23.305 0.000) 23.305 1.601 ( 0.000 27.265 0.000) 27.265 1.808 ( 0.000 -1.959 0.000) 1.959 1.929 ( 0.000 -3.524 0.000) 3.524 2.052 ( 0.000 5.152 0.000) 5.152 2.073 ( 0.000 5.691 0.000) 5.691 2.204 ( 0.000 2.402 0.000) 2.402 2.282 ( 0.000 -10.244 0.000) 10.244 2.305 ( 0.000 0.413 0.000) 0.413 2.415 ( 0.000 -5.277 0.000) 5.277 2.458 ( 0.000 4.520 0.000) 4.520 2.569 ( 0.000 3.962 0.000) 3.962 2.575 ( 0.000 -0.756 0.000) 0.756 2.696 ( 0.000 -1.856 0.000) 1.856 2.850 ( 0.000 -1.239 0.000) 1.239 2.867 ( 0.000 0.277 0.000) 0.277 3.155 ( 0.000 -3.601 0.000) 3.601 3.199 ( 0.000 1.582 0.000) 1.582 3.220 ( 0.000 -2.897 0.000) 2.897 3.269 ( 0.000 5.080 0.000) 5.080 3.483 ( 0.000 -12.874 0.000) 12.874 3.541 ( 0.000 -6.031 0.000) 6.031 3.909 ( 0.000 -21.140 0.000) 21.140 4.213 ( 0.000 4.058 0.000) 4.058 4.322 ( 0.000 6.891 0.000) 6.891 4.416 ( 0.000 3.488 0.000) 3.488 4.482 ( 0.000 4.386 0.000) 4.386 4.555 ( 0.000 2.803 0.000) 2.803 4.625 ( 0.000 -7.473 0.000) 7.473 4.762 ( 0.000 4.367 0.000) 4.367 4.876 ( 0.000 -1.226 0.000) 1.226 4.986 ( 0.000 0.613 0.000) 0.613 5.011 ( 0.000 -0.818 0.000) 0.818 5.078 ( 0.000 2.289 0.000) 2.289 5.169 ( 0.000 1.877 0.000) 1.877 5.271 ( 0.000 2.335 0.000) 2.335 5.312 ( 0.000 -1.534 0.000) 1.534 5.391 ( 0.000 -2.767 0.000) 2.767 5.411 ( 0.000 -0.514 0.000) 0.514 5.497 ( 0.000 0.264 0.000) 0.264 5.602 ( 0.000 2.080 0.000) 2.080 5.719 ( 0.000 -0.743 0.000) 0.743 5.784 ( 0.000 -1.218 0.000) 1.218 5.895 ( 0.000 2.918 0.000) 2.918 5.896 ( 0.000 0.563 0.000) 0.563 5.974 ( 0.000 2.747 0.000) 2.747 6.262 ( 0.000 -2.582 0.000) 2.582 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 4.253 19.156 3.886) 20.003 0.986 ( 4.615 20.762 2.346) 21.398 1.649 ( 3.081 18.105 2.911) 18.594 1.835 ( 2.726 0.234 -0.190) 2.743 1.904 ( -4.030 -5.614 1.292) 7.030 2.010 ( -3.013 5.478 0.505) 6.272 2.106 ( 2.664 10.929 -2.761) 11.582 2.209 ( -0.134 1.874 2.951) 3.499 2.238 ( -2.229 -4.303 -0.319) 4.857 2.332 ( 1.076 -4.923 -1.849) 5.368 2.413 ( 0.463 -2.134 1.863) 2.871 2.458 ( 0.179 1.493 -2.286) 2.737 2.552 ( -2.314 2.043 1.658) 3.503 2.576 ( 0.178 -0.341 -2.263) 2.295 2.674 ( -1.130 -0.033 -1.602) 1.961 2.796 ( -4.575 -2.422 1.564) 5.408 2.883 ( 0.778 1.875 -1.624) 2.599 3.110 ( -2.472 -0.968 1.964) 3.303 3.172 ( -0.372 -4.899 -1.084) 5.031 3.230 ( -0.013 -1.158 -1.585) 1.963 3.296 ( 1.497 0.415 -3.076) 3.446 3.532 ( -0.203 -5.941 0.606) 5.975 3.556 ( 4.562 -7.043 1.777) 8.577 3.930 ( 2.097 -18.172 -0.350) 18.296 4.218 ( 0.436 4.535 0.570) 4.591 4.312 ( -0.601 5.054 0.306) 5.099 4.429 ( -0.506 1.961 0.660) 2.130 4.459 ( -0.262 6.401 0.658) 6.440 4.575 ( 1.585 2.144 -1.717) 3.172 4.644 ( 1.653 -6.745 1.368) 7.078 4.758 ( 0.398 4.862 -0.496) 4.903 4.880 ( 0.293 -2.127 -0.589) 2.227 4.965 ( -2.261 1.843 -0.076) 2.918 4.993 ( -2.272 1.125 0.104) 2.537 5.083 ( 1.102 1.159 -0.959) 1.865 5.178 ( 0.546 1.519 0.675) 1.749 5.259 ( -0.288 1.652 -0.558) 1.767 5.323 ( -0.465 -1.637 0.246) 1.720 5.372 ( -1.332 0.460 -3.173) 3.472 5.435 ( 2.536 -3.723 1.562) 4.767 5.496 ( -0.636 -0.571 0.784) 1.159 5.568 ( -3.307 1.693 0.382) 3.735 5.721 ( -0.071 -0.150 1.450) 1.459 5.785 ( -0.108 -1.511 1.113) 1.880 5.878 ( -1.381 1.277 -0.388) 1.921 5.903 ( 0.582 2.535 0.649) 2.681 5.977 ( 0.222 2.293 -0.677) 2.401 6.216 ( -3.366 -1.816 -1.530) 4.120 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 8.803 11.588 3.036) 14.866 1.145 ( 10.099 15.449 3.271) 18.745 1.676 ( -1.628 8.368 4.836) 9.802 1.752 ( -10.886 -0.868 2.835) 11.283 1.893 ( 2.375 -3.222 2.591) 4.768 1.991 ( 1.489 3.542 -1.560) 4.147 2.080 ( -5.932 9.690 -3.261) 11.820 2.208 ( -0.436 -4.210 1.573) 4.515 2.252 ( 3.116 2.291 2.656) 4.692 2.310 ( -2.959 -2.826 -3.980) 5.708 2.407 ( -2.281 -2.170 -1.061) 3.322 2.495 ( -2.484 0.321 -1.303) 2.824 2.525 ( 7.674 5.588 1.834) 9.668 2.570 ( 0.251 0.488 -4.565) 4.598 2.676 ( 0.198 1.766 0.556) 1.862 2.710 ( -2.696 -1.642 -0.973) 3.303 2.887 ( 0.114 1.737 0.157) 1.748 3.116 ( 2.047 -3.145 3.142) 4.895 3.180 ( 1.293 -7.221 -3.729) 8.229 3.203 ( -1.834 -0.964 -2.072) 2.930 3.307 ( -0.256 -2.047 -1.874) 2.787 3.506 ( -1.594 0.747 -0.828) 1.946 3.638 ( 2.567 -7.048 4.145) 8.570 3.968 ( 1.275 -8.815 -1.110) 8.976 4.223 ( -0.462 5.386 0.062) 5.406 4.318 ( 1.320 2.430 1.518) 3.155 4.389 ( -1.932 1.458 -0.238) 2.432 4.496 ( 2.439 5.252 -0.413) 5.805 4.594 ( 0.768 2.100 -0.995) 2.447 4.686 ( 2.284 -3.155 1.866) 4.319 4.786 ( 2.109 1.702 0.232) 2.720 4.882 ( -0.679 -1.903 0.289) 2.041 4.895 ( -2.666 2.515 -0.031) 3.665 4.966 ( -1.786 1.051 0.463) 2.123 5.073 ( -1.818 1.367 -3.312) 4.019 5.189 ( 0.282 0.362 -0.313) 0.556 5.271 ( 0.452 -0.829 -0.043) 0.945 5.293 ( -1.445 -1.217 1.205) 2.241 5.346 ( -0.246 1.362 -2.764) 3.091 5.444 ( -3.994 -0.044 1.254) 4.187 5.487 ( 0.040 -1.345 -1.197) 1.801 5.525 ( 0.462 -3.058 2.382) 3.904 5.715 ( -0.870 0.522 0.949) 1.389 5.781 ( -0.617 -1.604 1.335) 2.176 5.848 ( -1.582 2.349 -0.615) 2.898 5.920 ( 0.951 1.495 1.271) 2.181 5.974 ( -0.377 2.451 -0.222) 2.490 6.173 ( -0.542 -3.041 -1.343) 3.368 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 12.331 2.254 0.738) 12.557 1.333 ( 7.909 11.168 1.993) 13.829 1.546 ( -8.837 5.583 2.321) 10.708 1.647 ( -3.152 2.290 3.886) 5.502 1.887 ( -8.714 7.609 -1.453) 11.659 1.960 ( 1.698 -7.347 5.172) 9.144 2.027 ( 0.157 1.744 -2.078) 2.718 2.193 ( -3.675 -7.115 -2.055) 8.268 2.243 ( 0.862 3.065 0.315) 3.199 2.312 ( 1.632 0.051 1.047) 1.940 2.353 ( -2.426 0.008 -1.919) 3.093 2.457 ( -1.490 2.566 -1.560) 3.352 2.547 ( -1.249 -0.177 -3.052) 3.302 2.598 ( -2.448 0.925 2.080) 3.343 2.705 ( 3.480 2.978 1.569) 4.842 2.796 ( 11.646 3.964 -6.388) 13.862 2.894 ( 0.392 0.211 1.162) 1.244 3.145 ( -1.410 0.735 2.190) 2.706 3.174 ( -1.917 -5.331 -0.646) 5.702 3.197 ( 2.109 -9.595 -2.324) 10.095 3.261 ( -3.676 0.028 1.661) 4.034 3.505 ( 2.437 6.887 -3.631) 8.158 3.667 ( -0.387 -7.120 4.391) 8.374 3.955 ( -1.980 1.283 -1.271) 2.680 4.203 ( -1.161 4.678 -0.325) 4.831 4.348 ( 0.569 0.493 -0.542) 0.928 4.393 ( 2.778 1.643 3.044) 4.437 4.517 ( -0.425 4.377 -2.929) 5.284 4.605 ( 0.406 2.765 -0.088) 2.796 4.728 ( 1.423 0.791 1.267) 2.063 4.814 ( 1.107 -3.650 2.124) 4.366 4.872 ( 0.794 1.652 0.552) 1.914 4.888 ( -0.020 -1.191 -1.453) 1.879 4.922 ( -2.242 -0.912 1.273) 2.735 5.031 ( -1.381 2.092 -2.525) 3.557 5.157 ( -3.452 -3.415 -1.310) 5.029 5.263 ( 0.598 -3.242 -0.493) 3.334 5.286 ( -0.903 -1.566 0.914) 2.025 5.363 ( -1.213 2.024 -1.790) 2.961 5.376 ( 0.491 1.193 1.726) 2.155 5.473 ( -0.687 0.159 -0.702) 0.995 5.555 ( 1.002 -4.194 1.710) 4.638 5.695 ( -1.154 0.854 -0.090) 1.438 5.770 ( -0.686 -1.586 0.794) 1.902 5.818 ( -1.286 3.846 -0.385) 4.073 5.940 ( 0.757 0.193 1.030) 1.293 5.970 ( 0.023 2.419 0.265) 2.434 6.177 ( 0.715 -4.565 -0.754) 4.682 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.000 8.848 0.000) 8.848 1.419 ( 0.000 -6.784 -0.000) 6.784 1.469 ( 0.000 9.738 -0.000) 9.738 1.578 ( -0.000 2.542 0.000) 2.542 1.780 ( 0.000 8.675 -0.000) 8.675 2.002 ( 0.000 -4.775 -0.000) 4.775 2.012 ( 0.000 -0.492 -0.000) 0.492 2.138 ( 0.000 -8.208 0.000) 8.208 2.282 ( 0.000 5.026 0.000) 5.026 2.299 ( 0.000 -1.433 -0.000) 1.433 2.342 ( 0.000 0.426 0.000) 0.426 2.437 ( -0.000 4.172 -0.000) 4.172 2.524 ( 0.000 -0.334 -0.000) 0.334 2.578 ( 0.000 2.014 0.000) 2.014 2.736 ( 0.000 -0.664 -0.000) 0.664 2.898 ( 0.000 -0.415 0.000) 0.415 2.999 ( -0.000 -1.318 0.000) 1.318 3.047 ( 0.000 5.920 -0.000) 5.920 3.143 ( -0.000 -3.113 -0.000) 3.113 3.223 ( 0.000 -8.471 0.000) 8.471 3.233 ( 0.000 -0.920 -0.000) 0.920 3.543 ( -0.000 10.435 -0.000) 10.435 3.657 ( 0.000 -7.432 -0.000) 7.432 3.926 ( 0.000 3.789 0.000) 3.789 4.190 ( 0.000 4.441 0.000) 4.441 4.351 ( 0.000 -0.790 0.000) 0.790 4.461 ( 0.000 7.096 0.000) 7.096 4.476 ( -0.000 0.045 -0.000) 0.045 4.606 ( 0.000 3.738 -0.000) 3.738 4.743 ( 0.000 -0.653 0.000) 0.653 4.844 ( -0.000 -0.977 -0.000) 0.977 4.861 ( 0.000 -3.280 0.000) 3.280 4.901 ( -0.000 -3.635 -0.000) 3.635 4.902 ( 0.000 2.561 -0.000) 2.561 5.016 ( -0.000 2.175 0.000) 2.175 5.107 ( 0.000 -4.811 0.000) 4.811 5.275 ( 0.000 -6.900 0.000) 6.900 5.275 ( 0.000 -3.054 -0.000) 3.054 5.333 ( -0.000 5.313 0.000) 5.313 5.403 ( 0.000 1.498 0.000) 1.498 5.464 ( 0.000 0.492 -0.000) 0.492 5.565 ( 0.000 -3.652 -0.000) 3.652 5.682 ( 0.000 0.873 -0.000) 0.873 5.764 ( 0.000 -1.625 -0.000) 1.625 5.804 ( 0.000 4.557 0.000) 4.557 5.949 ( 0.000 -0.307 -0.000) 0.307 5.972 ( 0.000 2.324 -0.000) 2.324 6.184 ( 0.000 -5.030 -0.000) 5.030 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 18.484 0.000) 18.484 1.377 ( 0.000 20.321 0.000) 20.321 1.557 ( 0.000 -13.940 0.000) 13.940 1.722 ( 0.000 -15.011 0.000) 15.011 1.992 ( 0.000 7.779 0.000) 7.779 2.097 ( 0.000 -1.853 0.000) 1.853 2.158 ( 0.000 -2.260 0.000) 2.260 2.170 ( 0.000 -3.429 0.000) 3.429 2.336 ( 0.000 3.448 0.000) 3.448 2.367 ( 0.000 6.858 0.000) 6.858 2.446 ( 0.000 5.897 0.000) 5.897 2.537 ( 0.000 -2.701 0.000) 2.701 2.609 ( 0.000 18.120 0.000) 18.120 2.632 ( 0.000 2.094 0.000) 2.094 2.665 ( 0.000 -0.522 0.000) 0.522 2.854 ( 0.000 1.085 0.000) 1.085 2.917 ( 0.000 5.114 0.000) 5.114 3.053 ( 0.000 -7.637 0.000) 7.637 3.061 ( 0.000 -6.647 0.000) 6.647 3.151 ( 0.000 -16.455 0.000) 16.455 3.317 ( 0.000 6.114 0.000) 6.114 3.390 ( 0.000 1.745 0.000) 1.745 3.461 ( 0.000 -2.487 0.000) 2.487 3.530 ( 0.000 -14.674 0.000) 14.674 4.306 ( 0.000 5.766 0.000) 5.766 4.419 ( 0.000 -4.532 0.000) 4.532 4.450 ( 0.000 5.366 0.000) 5.366 4.511 ( 0.000 -1.895 0.000) 1.895 4.558 ( 0.000 1.380 0.000) 1.380 4.575 ( 0.000 -0.322 0.000) 0.322 4.832 ( 0.000 2.664 0.000) 2.664 4.861 ( 0.000 -0.569 0.000) 0.569 5.003 ( 0.000 0.234 0.000) 0.234 5.005 ( 0.000 0.729 0.000) 0.729 5.128 ( 0.000 2.729 0.000) 2.729 5.175 ( 0.000 -1.523 0.000) 1.523 5.281 ( 0.000 -1.071 0.000) 1.071 5.282 ( 0.000 -0.899 0.000) 0.899 5.364 ( 0.000 0.631 0.000) 0.631 5.389 ( 0.000 -1.534 0.000) 1.534 5.527 ( 0.000 2.591 0.000) 2.591 5.584 ( 0.000 -2.889 0.000) 2.889 5.726 ( 0.000 1.366 0.000) 1.366 5.756 ( 0.000 -1.628 0.000) 1.628 5.908 ( 0.000 0.703 0.000) 0.703 5.919 ( 0.000 -0.146 0.000) 0.146 6.077 ( 0.000 6.675 0.000) 6.675 6.191 ( 0.000 -4.869 0.000) 4.869 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 2.227 17.841 2.597) 18.166 1.370 ( 0.154 18.853 2.098) 18.970 1.582 ( 2.205 -13.668 2.029) 13.993 1.693 ( -3.184 -14.426 1.740) 14.876 1.963 ( -2.832 7.557 2.116) 8.343 2.089 ( -1.033 -4.428 -0.026) 4.547 2.173 ( 1.410 1.461 -0.262) 2.047 2.197 ( 1.817 -1.881 1.569) 3.049 2.297 ( -2.980 3.694 1.029) 4.856 2.368 ( -0.760 1.404 -3.317) 3.681 2.420 ( -3.003 5.296 0.849) 6.147 2.524 ( -1.569 -3.115 -0.169) 3.492 2.595 ( -1.205 5.444 -0.852) 5.641 2.652 ( 1.020 1.682 -3.900) 4.368 2.679 ( 3.439 12.442 -0.354) 12.913 2.791 ( -4.071 2.403 -0.804) 4.795 2.948 ( 1.532 4.717 -0.976) 5.055 2.997 ( -4.316 -6.723 -3.725) 8.815 3.062 ( 0.993 -5.300 -0.532) 5.418 3.159 ( 0.433 -14.451 -3.410) 14.854 3.289 ( -0.351 5.058 3.055) 5.920 3.412 ( -0.210 -6.320 6.410) 9.004 3.526 ( 6.164 1.363 -0.323) 6.321 3.615 ( 7.257 -10.471 -1.704) 12.853 4.314 ( 0.800 5.417 0.693) 5.520 4.384 ( -2.374 0.476 -0.083) 2.422 4.466 ( -0.610 1.196 0.668) 1.500 4.506 ( 0.703 -3.890 0.877) 4.049 4.565 ( 1.353 3.132 -0.887) 3.525 4.604 ( 2.426 -0.524 -0.910) 2.643 4.827 ( -0.409 2.416 -0.127) 2.454 4.858 ( -0.181 -0.829 -0.360) 0.922 4.998 ( -0.235 0.851 -0.241) 0.915 5.000 ( -1.265 0.583 -0.190) 1.406 5.139 ( 0.766 3.938 -0.789) 4.089 5.190 ( 0.808 -0.423 0.037) 0.912 5.255 ( -1.223 -1.521 0.150) 1.958 5.272 ( -1.697 -2.872 0.220) 3.343 5.370 ( 0.472 0.597 -0.037) 0.762 5.393 ( 0.847 -1.436 -0.289) 1.692 5.511 ( -1.747 1.998 -0.512) 2.703 5.557 ( -2.786 -2.203 -0.693) 3.619 5.729 ( 0.038 1.056 1.793) 2.081 5.755 ( -0.311 -1.509 1.691) 2.288 5.902 ( -0.479 1.278 -0.384) 1.418 5.923 ( 0.360 -0.564 -0.249) 0.714 6.060 ( -1.504 5.646 -0.025) 5.843 6.158 ( -2.849 -4.196 -0.445) 5.092 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.737 14.989 2.893) 15.283 1.441 ( 6.124 14.665 2.949) 16.164 1.585 ( -4.323 -13.783 2.608) 14.679 1.681 ( 3.856 -9.342 3.352) 10.648 1.888 ( -6.105 7.109 4.044) 10.206 2.046 ( -4.409 -8.089 2.034) 9.434 2.156 ( -4.141 6.899 -1.421) 8.171 2.220 ( 0.117 1.762 0.664) 1.887 2.267 ( -0.936 -0.469 0.298) 1.088 2.340 ( 0.259 0.325 -4.083) 4.104 2.359 ( -2.129 3.675 -0.802) 4.322 2.482 ( -1.948 -3.586 -1.328) 4.292 2.576 ( -0.574 2.524 -1.680) 3.086 2.649 ( -0.081 -4.008 -2.317) 4.630 2.714 ( -2.060 7.194 0.115) 7.484 2.791 ( 5.167 7.922 -3.558) 10.105 2.916 ( -1.757 0.058 -1.813) 2.525 2.983 ( 1.303 -2.613 -1.934) 3.502 3.086 ( 1.569 -3.255 -1.231) 3.817 3.143 ( -0.978 -7.816 -1.201) 7.968 3.318 ( 1.786 4.485 1.396) 5.025 3.440 ( 1.823 -6.917 4.167) 8.278 3.623 ( 4.191 4.670 1.403) 6.430 3.765 ( 8.106 -10.008 -0.393) 12.885 4.320 ( -1.698 3.989 0.205) 4.340 4.353 ( -0.350 0.615 0.358) 0.793 4.436 ( -1.005 3.876 -0.239) 4.011 4.542 ( 1.925 -6.092 0.668) 6.424 4.604 ( 2.805 4.511 -0.544) 5.340 4.655 ( 3.086 -0.742 -0.208) 3.181 4.818 ( -0.661 1.616 -0.316) 1.774 4.854 ( -0.212 -1.597 -0.450) 1.673 4.957 ( -2.692 3.003 -0.482) 4.062 4.986 ( -1.215 0.704 0.551) 1.509 5.121 ( -2.096 3.226 -2.309) 4.487 5.176 ( -3.105 -1.499 -0.641) 3.507 5.221 ( -1.970 -1.668 -0.090) 2.583 5.258 ( -0.742 -2.849 0.577) 3.000 5.379 ( 1.059 2.101 0.705) 2.456 5.431 ( 2.399 -3.367 1.861) 4.534 5.461 ( -2.798 1.716 -0.877) 3.398 5.495 ( -2.617 -1.412 -1.426) 3.298 5.728 ( -0.612 0.911 1.296) 1.698 5.751 ( -0.594 -1.433 1.400) 2.089 5.894 ( -0.220 2.331 -0.430) 2.381 5.930 ( 0.377 -1.033 0.138) 1.108 6.032 ( -1.350 3.869 0.332) 4.111 6.108 ( -1.950 -3.767 -0.308) 4.253 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 3.263 7.825 0.942) 8.530 1.512 ( -1.805 -6.583 0.376) 6.836 1.566 ( 4.253 10.509 3.273) 11.801 1.763 ( -6.988 3.519 3.202) 8.454 1.784 ( 4.653 -4.658 4.303) 7.865 1.938 ( -5.050 -6.365 4.308) 9.196 2.072 ( -3.969 5.020 -1.646) 6.608 2.141 ( -6.068 0.077 -5.276) 8.041 2.269 ( 0.289 1.189 -0.350) 1.272 2.330 ( -1.276 -2.864 -1.060) 3.310 2.376 ( 2.905 6.131 -0.287) 6.791 2.472 ( 0.871 -2.516 -1.058) 2.865 2.561 ( -0.751 3.022 -0.865) 3.232 2.645 ( 0.025 -1.466 -0.680) 1.616 2.686 ( -0.605 3.225 -0.813) 3.381 2.840 ( 0.577 -6.441 -1.852) 6.727 2.928 ( 2.953 4.865 -3.028) 6.447 3.001 ( 0.895 -4.845 -1.090) 5.046 3.109 ( 0.891 -1.739 0.126) 1.958 3.130 ( -0.186 -2.682 -0.717) 2.782 3.334 ( -0.428 6.866 1.888) 7.134 3.484 ( 1.719 -7.830 1.302) 8.122 3.712 ( 4.933 10.053 1.791) 11.340 3.898 ( 5.315 -7.590 0.246) 9.269 4.274 ( -2.383 2.910 0.074) 3.762 4.321 ( -2.531 -1.942 -1.331) 3.457 4.462 ( 2.751 5.431 1.587) 6.291 4.560 ( -0.164 -2.885 -1.206) 3.131 4.658 ( 2.479 4.120 0.054) 4.809 4.726 ( 4.297 -2.351 0.517) 4.926 4.794 ( -1.566 1.772 -0.424) 2.403 4.843 ( -0.856 -2.919 -0.453) 3.076 4.903 ( -2.974 3.572 -0.955) 4.745 4.969 ( -0.254 0.939 1.214) 1.556 5.071 ( -3.878 -0.460 -0.137) 3.907 5.096 ( -2.737 1.511 -0.675) 3.198 5.173 ( -2.903 -3.281 -1.128) 4.524 5.224 ( -2.297 -4.550 0.122) 5.098 5.408 ( 0.598 2.241 1.091) 2.563 5.428 ( 0.731 3.159 -0.323) 3.259 5.462 ( -0.504 -2.074 -0.407) 2.173 5.483 ( 1.720 -2.655 0.714) 3.243 5.713 ( -0.907 1.127 0.105) 1.451 5.739 ( -0.713 -1.513 0.405) 1.721 5.892 ( 0.080 3.478 -0.266) 3.489 5.937 ( 0.291 -1.021 0.499) 1.173 6.014 ( -0.564 2.761 0.503) 2.862 6.086 ( -0.443 -4.578 -0.155) 4.602 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 3.682 -0.000) 3.682 1.513 ( -0.000 -7.551 0.000) 7.551 1.604 ( 0.000 9.546 -0.000) 9.546 1.667 ( 0.000 7.788 -0.000) 7.788 1.841 ( 0.000 -3.004 -0.000) 3.004 1.941 ( 0.000 -9.426 -0.000) 9.426 2.008 ( 0.000 6.062 -0.000) 6.062 2.050 ( 0.000 1.124 0.000) 1.124 2.271 ( 0.000 -0.238 -0.000) 0.238 2.313 ( -0.000 -2.617 0.000) 2.617 2.409 ( 0.000 5.417 -0.000) 5.417 2.483 ( 0.000 -1.171 0.000) 1.171 2.550 ( 0.000 4.239 -0.000) 4.239 2.645 ( 0.000 1.660 0.000) 1.660 2.681 ( 0.000 0.048 -0.000) 0.048 2.841 ( 0.000 -8.342 0.000) 8.342 2.960 ( 0.000 0.275 -0.000) 0.275 3.009 ( -0.000 -4.040 0.000) 4.040 3.119 ( 0.000 -1.339 0.000) 1.339 3.128 ( 0.000 -1.246 -0.000) 1.246 3.327 ( 0.000 8.792 -0.000) 8.792 3.501 ( 0.000 -8.791 0.000) 8.791 3.777 ( 0.000 12.346 -0.000) 12.346 3.948 ( 0.000 -3.698 0.000) 3.698 4.251 ( -0.000 1.793 -0.000) 1.793 4.288 ( 0.000 -3.280 0.000) 3.280 4.505 ( 0.000 2.618 0.000) 2.618 4.543 ( -0.000 0.149 -0.000) 0.149 4.685 ( 0.000 5.300 0.000) 5.300 4.773 ( 0.000 2.833 0.000) 2.833 4.788 ( -0.000 -4.706 0.000) 4.706 4.831 ( -0.000 -3.238 -0.000) 3.238 4.861 ( 0.000 3.605 0.000) 3.605 4.979 ( 0.000 -7.687 -0.000) 7.687 5.002 ( 0.000 6.785 -0.000) 6.785 5.087 ( 0.000 5.301 0.000) 5.301 5.133 ( 0.000 -6.956 0.000) 6.956 5.199 ( 0.000 -5.418 -0.000) 5.418 5.411 ( -0.000 2.777 0.000) 2.777 5.447 ( 0.000 3.022 -0.000) 3.022 5.456 ( 0.000 -1.729 -0.000) 1.729 5.502 ( 0.000 -2.817 0.000) 2.817 5.703 ( 0.000 1.313 0.000) 1.313 5.732 ( 0.000 -1.620 -0.000) 1.620 5.893 ( 0.000 4.129 0.000) 4.129 5.941 ( 0.000 -0.945 -0.000) 0.945 6.010 ( 0.000 2.320 -0.000) 2.320 6.083 ( 0.000 -5.108 -0.000) 5.108 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 1.224 0.000 20.155) 20.192 0.470 ( -1.185 0.000 22.797) 22.828 0.817 ( 1.983 0.000 39.312) 39.362 1.834 ( -4.214 0.000 -3.493) 5.473 1.879 ( -0.865 0.000 -0.124) 0.874 1.939 ( 4.329 0.000 2.583) 5.041 2.148 ( -3.308 0.000 -6.209) 7.035 2.217 ( 1.106 0.000 1.276) 1.689 2.324 ( 2.537 0.000 2.816) 3.790 2.426 ( 0.928 0.000 -1.287) 1.587 2.491 ( 0.229 0.000 3.925) 3.931 2.534 ( 2.076 0.000 -0.345) 2.105 2.629 ( -0.569 0.000 -0.741) 0.934 2.650 ( -0.758 0.000 -3.652) 3.730 2.788 ( 1.507 0.000 -1.575) 2.180 2.807 ( 0.780 0.000 3.097) 3.194 2.935 ( 2.206 0.000 0.246) 2.220 2.959 ( 1.055 0.000 2.462) 2.678 3.040 ( 0.125 0.000 2.155) 2.159 3.165 ( 1.170 0.000 -4.665) 4.810 3.375 ( -6.052 0.000 0.834) 6.109 3.684 ( 2.848 0.000 -3.226) 4.304 3.883 ( -1.640 0.000 -5.825) 6.052 4.060 ( -0.620 0.000 -0.690) 0.928 4.154 ( 0.635 0.000 3.260) 3.321 4.272 ( -0.832 0.000 -0.415) 0.929 4.365 ( 4.726 0.000 -2.365) 5.285 4.437 ( -0.721 0.000 0.754) 1.043 4.536 ( -7.433 0.000 1.614) 7.606 4.657 ( 3.572 0.000 3.115) 4.740 4.765 ( 2.774 0.000 -4.179) 5.016 4.874 ( -1.153 0.000 -1.758) 2.102 4.904 ( 0.742 0.000 1.050) 1.285 4.987 ( 0.129 0.000 0.406) 0.426 5.021 ( 0.004 0.000 0.688) 0.688 5.147 ( -4.251 0.000 -2.228) 4.799 5.179 ( -0.503 0.000 -0.086) 0.510 5.291 ( -5.334 0.000 0.750) 5.386 5.345 ( 2.267 0.000 0.723) 2.379 5.463 ( -1.066 0.000 -2.508) 2.726 5.557 ( 0.540 0.000 1.375) 1.477 5.705 ( 0.949 0.000 1.794) 2.029 5.729 ( 0.510 0.000 0.231) 0.560 5.839 ( 7.197 0.000 0.670) 7.228 5.847 ( 0.371 0.000 1.374) 1.423 5.866 ( 0.695 0.000 -1.493) 1.647 5.881 ( 1.359 0.000 -0.564) 1.471 5.953 ( -7.671 0.000 0.957) 7.730 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 11.804 0.000 13.635) 18.034 0.668 ( 14.486 0.000 16.240) 21.762 1.135 ( 19.564 0.000 31.167) 36.798 1.706 ( -8.028 0.000 -4.172) 9.047 1.872 ( -0.519 0.000 0.474) 0.703 1.985 ( -0.183 0.000 2.241) 2.249 2.065 ( -3.557 0.000 -5.549) 6.591 2.231 ( 0.336 0.000 4.048) 4.062 2.306 ( -2.185 0.000 3.983) 4.543 2.427 ( -0.431 0.000 -1.004) 1.093 2.461 ( -2.126 0.000 -3.238) 3.873 2.564 ( -6.034 0.000 -2.160) 6.408 2.603 ( 2.732 0.000 7.291) 7.786 2.650 ( 1.629 0.000 -4.280) 4.579 2.746 ( -5.189 0.000 6.214) 8.096 2.854 ( 1.092 0.000 -2.467) 2.698 2.941 ( -1.884 0.000 3.687) 4.140 2.994 ( 3.363 0.000 -0.873) 3.475 3.119 ( 4.833 0.000 -2.985) 5.681 3.207 ( 3.577 0.000 -4.917) 6.081 3.259 ( -5.169 0.000 -1.831) 5.484 3.673 ( -3.633 0.000 -1.260) 3.845 3.865 ( 1.428 0.000 -7.477) 7.613 4.018 ( -3.235 0.000 -2.278) 3.956 4.169 ( 0.515 0.000 2.648) 2.698 4.265 ( 0.157 0.000 -0.624) 0.643 4.315 ( -7.810 0.000 4.701) 9.116 4.457 ( 2.934 0.000 -1.050) 3.116 4.487 ( 1.665 0.000 -0.318) 1.695 4.697 ( 0.233 0.000 3.247) 3.255 4.825 ( 3.925 0.000 -3.266) 5.106 4.905 ( -2.520 0.000 -0.335) 2.542 4.916 ( 0.131 0.000 1.673) 1.678 4.948 ( 3.689 0.000 -1.008) 3.824 5.018 ( -0.914 0.000 -0.997) 1.352 5.066 ( -2.603 0.000 -0.540) 2.658 5.173 ( -0.010 0.000 0.287) 0.287 5.283 ( 1.712 0.000 4.927) 5.216 5.359 ( -2.156 0.000 -1.777) 2.794 5.440 ( 0.359 0.000 -1.401) 1.447 5.564 ( -0.182 0.000 1.746) 1.755 5.718 ( -0.624 0.000 0.543) 0.827 5.758 ( 2.356 0.000 2.208) 3.229 5.803 ( -2.850 0.000 1.694) 3.316 5.851 ( -0.040 0.000 1.908) 1.909 5.854 ( -2.752 0.000 -0.002) 2.752 5.908 ( 1.206 0.000 -0.082) 1.209 6.030 ( 7.574 0.000 -7.115) 10.392 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 16.473 0.000 6.856) 17.843 0.995 ( 15.678 0.000 10.102) 18.651 1.531 ( -9.161 0.000 -3.554) 9.826 1.595 ( 21.722 0.000 21.525) 30.581 1.827 ( -5.243 0.000 2.948) 6.015 1.940 ( -4.611 0.000 1.668) 4.903 2.016 ( 0.039 0.000 -7.026) 7.026 2.257 ( 0.941 0.000 6.207) 6.278 2.288 ( -0.654 0.000 4.525) 4.572 2.397 ( -4.039 0.000 -0.536) 4.074 2.408 ( -2.412 0.000 -4.903) 5.465 2.429 ( -4.565 0.000 -2.259) 5.093 2.638 ( -7.521 0.000 6.851) 10.174 2.657 ( 1.316 0.000 4.956) 5.128 2.691 ( 2.852 0.000 0.907) 2.993 2.781 ( -6.610 0.000 0.247) 6.614 2.959 ( 1.800 0.000 0.263) 1.820 3.070 ( 5.616 0.000 -4.571) 7.241 3.170 ( 0.813 0.000 -1.866) 2.035 3.187 ( -1.521 0.000 -3.999) 4.278 3.265 ( 3.210 0.000 -2.994) 4.390 3.548 ( -8.710 0.000 -0.839) 8.750 3.894 ( 2.745 0.000 -6.745) 7.283 3.926 ( -5.841 0.000 -3.607) 6.865 4.185 ( -1.604 0.000 -0.122) 1.609 4.203 ( -2.827 0.000 7.906) 8.396 4.267 ( 0.053 0.000 0.123) 0.134 4.505 ( 0.300 0.000 0.517) 0.597 4.544 ( 6.559 0.000 -4.106) 7.738 4.692 ( -2.006 0.000 4.218) 4.671 4.861 ( -0.641 0.000 1.100) 1.273 4.869 ( 0.414 0.000 -1.916) 1.960 4.931 ( 2.165 0.000 -2.238) 3.113 4.990 ( -0.877 0.000 -0.225) 0.906 5.040 ( 4.637 0.000 -2.584) 5.308 5.053 ( -0.001 0.000 2.196) 2.196 5.180 ( 0.795 0.000 0.067) 0.798 5.286 ( -3.974 0.000 -2.991) 4.974 5.322 ( 1.076 0.000 4.202) 4.337 5.450 ( 0.395 0.000 -0.303) 0.498 5.556 ( -1.096 0.000 1.859) 2.158 5.695 ( -1.639 0.000 0.333) 1.673 5.773 ( -0.808 0.000 1.448) 1.658 5.793 ( -3.425 0.000 -0.636) 3.483 5.803 ( 1.705 0.000 2.044) 2.662 5.852 ( -0.595 0.000 2.568) 2.636 5.927 ( 1.001 0.000 -0.993) 1.410 6.135 ( 5.333 0.000 -6.891) 8.713 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 14.433 0.000 4.378) 15.083 1.258 ( 8.666 0.000 6.247) 10.683 1.365 ( -6.873 0.000 -0.459) 6.888 1.693 ( -8.333 0.000 4.104) 9.288 1.852 ( -3.529 0.000 -0.362) 3.547 1.973 ( 4.537 0.000 -0.044) 4.537 2.051 ( 12.176 0.000 7.906) 14.517 2.232 ( -3.407 0.000 -3.998) 5.252 2.306 ( 1.913 0.000 3.077) 3.623 2.345 ( -4.391 0.000 7.188) 8.423 2.357 ( -1.436 0.000 -4.853) 5.061 2.397 ( 2.315 0.000 6.288) 6.700 2.513 ( -5.510 0.000 3.066) 6.305 2.662 ( -5.390 0.000 1.214) 5.525 2.689 ( 1.545 0.000 3.081) 3.447 2.732 ( 0.080 0.000 3.786) 3.787 2.975 ( 0.062 0.000 -2.966) 2.966 3.096 ( -8.570 0.000 -2.365) 8.890 3.172 ( 0.502 0.000 -4.027) 4.058 3.195 ( 7.617 0.000 -4.895) 9.055 3.325 ( 3.654 0.000 -0.429) 3.679 3.401 ( -4.438 0.000 -1.901) 4.828 3.797 ( -6.363 0.000 -2.828) 6.963 3.928 ( 1.908 0.000 -4.860) 5.221 4.117 ( -3.217 0.000 2.175) 3.883 4.227 ( 1.200 0.000 5.211) 5.348 4.269 ( 0.109 0.000 0.677) 0.686 4.514 ( 0.698 0.000 0.911) 1.147 4.637 ( -4.464 0.000 4.113) 6.070 4.664 ( 6.494 0.000 -6.101) 8.911 4.860 ( -0.213 0.000 -1.730) 1.743 4.871 ( 0.855 0.000 0.476) 0.978 4.946 ( -0.463 0.000 -2.870) 2.908 4.994 ( 0.748 0.000 -2.499) 2.608 5.066 ( 0.770 0.000 4.163) 4.234 5.098 ( 1.815 0.000 -1.910) 2.635 5.205 ( 1.699 0.000 0.216) 1.713 5.218 ( -2.158 0.000 -1.745) 2.775 5.343 ( 0.577 0.000 1.816) 1.906 5.453 ( 0.039 0.000 0.287) 0.290 5.531 ( -1.872 0.000 1.904) 2.670 5.663 ( -1.626 0.000 0.357) 1.664 5.729 ( -2.856 0.000 0.010) 2.856 5.774 ( 0.369 0.000 0.696) 0.788 5.823 ( -0.340 0.000 1.435) 1.475 5.840 ( -0.698 0.000 1.969) 2.089 5.939 ( 0.513 0.000 -2.059) 2.122 6.206 ( 3.570 0.000 -5.708) 6.733 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -3.050 0.000 0.224) 3.059 1.321 ( -5.234 0.000 1.208) 5.372 1.373 ( 0.273 0.000 4.511) 4.520 1.634 ( 5.133 0.000 8.620) 10.033 1.839 ( 1.999 0.000 -2.116) 2.911 1.907 ( -6.984 0.000 -4.341) 8.223 2.154 ( -5.434 0.000 -1.383) 5.607 2.259 ( -2.292 0.000 5.996) 6.420 2.265 ( 2.638 0.000 3.089) 4.062 2.327 ( 1.792 0.000 3.727) 4.135 2.422 ( 7.389 0.000 -0.460) 7.403 2.460 ( 0.422 0.000 1.594) 1.649 2.519 ( 6.127 0.000 8.635) 10.588 2.596 ( -1.797 0.000 1.361) 2.254 2.639 ( -12.189 0.000 4.127) 12.869 2.741 ( 2.665 0.000 -0.389) 2.693 2.935 ( -2.786 0.000 0.322) 2.805 2.951 ( -1.682 0.000 -4.645) 4.940 3.177 ( 0.712 0.000 -3.907) 3.971 3.278 ( 0.351 0.000 -6.411) 6.421 3.397 ( 3.520 0.000 2.320) 4.216 3.406 ( 4.780 0.000 -1.859) 5.129 3.709 ( -0.925 0.000 -2.596) 2.756 3.945 ( 0.905 0.000 -3.494) 3.609 4.077 ( -1.481 0.000 1.777) 2.313 4.262 ( 1.071 0.000 6.292) 6.383 4.277 ( 0.504 0.000 1.035) 1.151 4.536 ( 0.895 0.000 0.450) 1.002 4.553 ( -4.227 0.000 2.441) 4.881 4.734 ( 1.802 0.000 -6.577) 6.820 4.856 ( -0.159 0.000 -3.413) 3.417 4.879 ( -0.310 0.000 0.238) 0.391 4.930 ( 0.028 0.000 -1.759) 1.759 4.979 ( -1.289 0.000 -2.544) 2.852 5.083 ( -0.256 0.000 3.433) 3.443 5.106 ( -0.220 0.000 -2.381) 2.391 5.218 ( 2.349 0.000 0.221) 2.360 5.233 ( 0.741 0.000 1.997) 2.130 5.352 ( -0.110 0.000 -0.993) 0.999 5.456 ( 0.039 0.000 0.917) 0.918 5.500 ( -1.507 0.000 2.076) 2.565 5.644 ( -0.327 0.000 0.296) 0.441 5.698 ( -0.225 0.000 0.140) 0.265 5.785 ( 0.489 0.000 0.939) 1.058 5.803 ( -1.447 0.000 0.675) 1.596 5.835 ( -0.631 0.000 0.839) 1.050 5.933 ( -0.668 0.000 -3.024) 3.097 6.245 ( 1.683 0.000 -4.614) 4.911 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -15.793 0.000 1.989) 15.917 1.178 ( -7.660 0.000 2.608) 8.092 1.397 ( 5.330 0.000 0.612) 5.365 1.691 ( -15.942 0.000 2.110) 16.081 1.815 ( 8.645 0.000 8.840) 12.364 1.873 ( 0.919 0.000 0.122) 0.927 2.065 ( -1.724 0.000 0.222) 1.739 2.237 ( -4.547 0.000 -0.675) 4.597 2.288 ( 2.592 0.000 2.468) 3.579 2.370 ( -9.986 0.000 -3.644) 10.630 2.401 ( 2.321 0.000 10.334) 10.591 2.504 ( 3.427 0.000 0.561) 3.472 2.522 ( 2.101 0.000 -0.849) 2.266 2.600 ( 2.793 0.000 0.408) 2.823 2.663 ( 5.867 0.000 9.770) 11.397 2.756 ( -0.906 0.000 1.191) 1.496 2.896 ( -2.894 0.000 -5.043) 5.815 2.971 ( 2.191 0.000 -4.354) 4.875 3.181 ( 0.584 0.000 -3.567) 3.615 3.270 ( 2.739 0.000 -4.931) 5.641 3.450 ( -0.367 0.000 -0.667) 0.761 3.459 ( 2.072 0.000 4.099) 4.593 3.787 ( 8.888 0.000 -4.798) 10.100 3.951 ( 0.586 0.000 -2.751) 2.813 4.068 ( 0.209 0.000 1.630) 1.644 4.279 ( -1.448 0.000 6.806) 6.958 4.289 ( 0.453 0.000 1.237) 1.317 4.481 ( -1.996 0.000 1.880) 2.742 4.580 ( 2.856 0.000 -0.525) 2.903 4.706 ( -3.182 0.000 -5.380) 6.250 4.821 ( -2.241 0.000 -5.204) 5.666 4.862 ( -1.372 0.000 0.511) 1.464 4.918 ( -1.466 0.000 -1.966) 2.452 4.983 ( 2.477 0.000 -1.080) 2.702 5.080 ( -0.583 0.000 4.415) 4.453 5.088 ( -0.813 0.000 -3.262) 3.362 5.238 ( -0.771 0.000 2.144) 2.278 5.287 ( 4.452 0.000 0.125) 4.454 5.327 ( -1.879 0.000 0.369) 1.915 5.452 ( -0.906 0.000 1.169) 1.479 5.495 ( 0.423 0.000 1.417) 1.479 5.656 ( 1.462 0.000 0.224) 1.479 5.715 ( 1.455 0.000 0.114) 1.460 5.781 ( -0.661 0.000 -0.594) 0.888 5.797 ( 0.729 0.000 1.056) 1.283 5.816 ( -1.581 0.000 0.486) 1.654 5.905 ( -1.279 0.000 -3.573) 3.795 6.250 ( -0.123 0.000 -3.831) 3.833 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -18.075 0.000 3.372) 18.387 0.944 ( -16.854 0.000 8.053) 18.679 1.328 ( -22.961 0.000 14.137) 26.964 1.583 ( 12.537 0.000 -1.876) 12.676 1.879 ( 0.217 0.000 0.476) 0.524 1.942 ( 1.628 0.000 6.078) 6.293 2.096 ( 3.850 0.000 -0.537) 3.887 2.127 ( -3.369 0.000 4.700) 5.783 2.267 ( -1.935 0.000 -7.429) 7.677 2.342 ( 2.774 0.000 0.674) 2.854 2.456 ( 0.711 0.000 9.219) 9.246 2.543 ( 0.738 0.000 -2.169) 2.291 2.556 ( 2.211 0.000 0.017) 2.211 2.707 ( 6.422 0.000 4.270) 7.712 2.731 ( -1.833 0.000 0.729) 1.973 2.771 ( 4.077 0.000 4.312) 5.935 2.828 ( -2.755 0.000 -4.655) 5.410 2.941 ( -2.362 0.000 -5.703) 6.173 3.183 ( 0.350 0.000 -3.372) 3.390 3.317 ( -1.735 0.000 -2.768) 3.267 3.465 ( 5.742 0.000 -6.135) 8.403 3.487 ( -0.305 0.000 4.706) 4.716 3.945 ( 6.834 0.000 -2.716) 7.354 3.954 ( 0.049 0.000 -2.600) 2.601 4.109 ( 4.689 0.000 0.543) 4.720 4.230 ( -4.230 0.000 4.096) 5.888 4.296 ( -0.103 0.000 1.214) 1.218 4.488 ( 1.252 0.000 5.145) 5.295 4.602 ( -6.341 0.000 -2.445) 6.796 4.641 ( 3.168 0.000 -1.456) 3.486 4.770 ( -1.561 0.000 -5.839) 6.044 4.846 ( 0.304 0.000 1.011) 1.056 4.893 ( -0.468 0.000 -2.522) 2.565 5.021 ( 0.763 0.000 0.358) 0.843 5.057 ( -2.076 0.000 -4.799) 5.229 5.102 ( 2.533 0.000 4.251) 4.949 5.209 ( -2.021 0.000 0.275) 2.040 5.315 ( 0.324 0.000 5.322) 5.332 5.374 ( 4.357 0.000 -1.053) 4.483 5.419 ( -2.783 0.000 0.937) 2.937 5.513 ( 1.128 0.000 1.052) 1.542 5.690 ( 1.723 0.000 0.148) 1.730 5.729 ( -0.336 0.000 1.019) 1.073 5.771 ( -2.557 0.000 -0.692) 2.649 5.784 ( 0.703 0.000 -0.000) 0.703 5.826 ( 2.066 0.000 0.166) 2.073 5.880 ( -0.459 0.000 -2.860) 2.897 6.224 ( -1.897 0.000 -4.117) 4.533 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( -12.947 0.000 11.314) 17.194 0.631 ( -17.035 0.000 15.381) 22.952 0.947 ( -20.010 0.000 29.264) 35.451 1.802 ( 9.727 0.000 -0.697) 9.752 1.882 ( -0.346 0.000 -0.576) 0.672 1.914 ( -2.811 0.000 0.806) 2.924 2.169 ( 4.116 0.000 8.180) 9.157 2.171 ( 3.524 0.000 0.046) 3.524 2.223 ( -0.552 0.000 -5.113) 5.143 2.394 ( 2.534 0.000 -0.797) 2.657 2.473 ( -0.427 0.000 7.546) 7.558 2.542 ( -0.290 0.000 -2.985) 2.999 2.602 ( 2.739 0.000 -0.937) 2.895 2.688 ( -2.385 0.000 -1.806) 2.992 2.765 ( -0.061 0.000 -1.147) 1.148 2.799 ( 0.061 0.000 4.525) 4.526 2.880 ( 6.267 0.000 -0.313) 6.275 2.913 ( 0.600 0.000 -2.253) 2.331 3.175 ( -0.473 0.000 -3.723) 3.752 3.182 ( -10.089 0.000 -6.032) 11.755 3.462 ( -3.387 0.000 3.619) 4.957 3.593 ( 7.229 0.000 -5.530) 9.102 3.932 ( -1.771 0.000 -3.711) 4.112 4.028 ( 3.141 0.000 1.482) 3.473 4.164 ( -2.898 0.000 4.584) 5.423 4.241 ( 7.999 0.000 -3.544) 8.749 4.290 ( -0.787 0.000 0.739) 1.079 4.487 ( -4.750 0.000 -0.052) 4.751 4.536 ( 2.512 0.000 7.318) 7.737 4.660 ( -1.170 0.000 -1.342) 1.780 4.745 ( 0.394 0.000 -5.389) 5.403 4.890 ( 0.548 0.000 -1.134) 1.260 4.901 ( 4.577 0.000 0.371) 4.592 4.977 ( -4.630 0.000 -5.532) 7.214 5.022 ( -0.341 0.000 1.370) 1.411 5.170 ( 2.549 0.000 1.514) 2.964 5.186 ( -0.529 0.000 0.187) 0.561 5.348 ( -3.088 0.000 -0.935) 3.227 5.351 ( 1.234 0.000 3.089) 3.327 5.450 ( 2.808 0.000 -0.721) 2.899 5.538 ( 1.164 0.000 1.279) 1.729 5.715 ( 0.068 0.000 0.249) 0.258 5.717 ( -1.396 0.000 -0.191) 1.409 5.724 ( 0.586 0.000 4.460) 4.498 5.818 ( 2.110 0.000 0.917) 2.300 5.861 ( 1.369 0.000 -0.874) 1.624 5.872 ( 0.073 0.000 -1.843) 1.845 6.141 ( -6.845 0.000 -6.376) 9.354 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 2.958 18.288 11.865) 22.000 0.662 ( 1.352 15.246 16.611) 22.587 1.159 ( -0.349 29.362 24.789) 38.429 1.834 ( -1.992 0.531 -3.410) 3.985 1.908 ( 0.274 1.919 1.981) 2.771 1.976 ( 1.512 3.874 1.281) 4.351 2.136 ( -2.320 -2.887 -1.138) 3.874 2.174 ( 0.662 -1.973 -2.681) 3.394 2.256 ( 2.306 -3.418 3.242) 5.245 2.416 ( 0.363 0.311 -0.470) 0.670 2.473 ( -0.055 -8.445 -0.661) 8.471 2.489 ( 0.041 -3.371 -3.145) 4.611 2.549 ( 1.832 -0.142 1.327) 2.267 2.638 ( -0.198 -1.352 1.564) 2.077 2.771 ( -2.573 -2.766 4.732) 6.055 2.837 ( -0.849 1.917 -0.531) 2.163 2.913 ( 0.968 -0.880 1.183) 1.764 3.026 ( 5.274 6.276 -3.795) 9.033 3.142 ( -0.143 2.361 -0.804) 2.498 3.172 ( -0.701 3.918 -0.874) 4.075 3.336 ( -4.924 -3.411 0.995) 6.072 3.636 ( 1.605 -5.111 -2.703) 6.001 3.727 ( -1.566 -11.500 -1.638) 11.721 4.074 ( -0.172 0.453 -2.452) 2.499 4.225 ( -0.035 4.811 2.690) 5.512 4.251 ( 0.376 0.014 0.012) 0.377 4.365 ( 4.172 -1.251 -2.512) 5.028 4.483 ( -5.284 3.649 1.445) 6.582 4.518 ( 0.514 -3.899 5.166) 6.492 4.650 ( 0.834 3.860 -0.279) 3.959 4.762 ( 2.163 -5.009 -1.097) 5.565 4.925 ( -2.551 4.097 -3.092) 5.732 4.946 ( -0.561 1.382 1.307) 1.983 4.996 ( 1.303 0.271 -1.931) 2.345 5.032 ( 0.663 1.576 0.528) 1.789 5.141 ( -1.170 1.153 -0.593) 1.747 5.212 ( -1.660 2.513 -0.402) 3.038 5.307 ( -1.808 1.040 -1.250) 2.432 5.349 ( -0.663 -0.323 0.089) 0.743 5.473 ( 0.444 -0.278 -2.603) 2.655 5.534 ( 0.550 -2.065 1.073) 2.391 5.571 ( 2.359 -2.734 5.899) 6.917 5.723 ( 1.280 -0.600 -0.259) 1.437 5.822 ( 1.571 0.166 1.793) 2.390 5.845 ( 0.350 -0.644 -2.067) 2.193 5.876 ( 0.468 0.773 -1.022) 1.364 5.950 ( -1.102 0.890 0.245) 1.438 6.100 ( -2.210 7.890 -9.049) 12.207 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 7.174 14.573 10.459) 19.319 0.808 ( 10.429 12.623 13.814) 21.423 1.373 ( 14.929 21.676 22.511) 34.633 1.752 ( -6.056 4.361 -4.092) 8.511 1.907 ( -0.312 3.737 0.961) 3.871 1.989 ( -1.224 0.443 2.033) 2.414 2.072 ( -2.871 -0.015 -3.856) 4.808 2.182 ( 0.438 -3.926 2.373) 4.608 2.282 ( -0.103 -1.847 2.549) 3.149 2.385 ( -2.537 -3.739 -1.601) 4.793 2.465 ( -0.404 -3.329 -3.614) 4.930 2.499 ( 0.107 -2.817 -1.216) 3.070 2.606 ( 3.465 -1.888 -1.536) 4.234 2.615 ( -2.535 -1.180 3.396) 4.399 2.697 ( -5.026 -3.760 6.459) 9.007 2.826 ( -1.334 -0.947 -0.733) 1.793 2.913 ( -1.008 -0.544 3.446) 3.632 3.084 ( 2.195 5.120 -2.852) 6.258 3.166 ( 0.988 3.244 2.045) 3.961 3.190 ( 3.225 -1.944 -6.512) 7.523 3.245 ( -3.987 -0.833 -0.651) 4.125 3.621 ( -2.803 -4.739 -1.193) 5.633 3.733 ( 2.901 -9.369 -3.577) 10.440 4.047 ( -2.407 1.402 -2.751) 3.915 4.234 ( 0.365 3.599 2.531) 4.415 4.266 ( 0.771 0.844 0.069) 1.145 4.348 ( -4.915 1.342 1.719) 5.377 4.458 ( 2.186 3.361 -2.625) 4.793 4.560 ( 2.816 -2.430 3.496) 5.104 4.632 ( -1.710 2.727 1.667) 3.625 4.805 ( 1.793 -5.943 0.575) 6.234 4.910 ( 0.497 3.169 -2.258) 3.923 4.926 ( -0.368 0.212 1.404) 1.467 4.978 ( -2.632 2.102 -0.993) 3.512 5.024 ( -0.214 -0.854 -1.042) 1.364 5.118 ( -0.586 5.088 -2.211) 5.578 5.199 ( 0.239 2.634 -0.311) 2.663 5.303 ( 0.941 1.757 3.118) 3.701 5.339 ( -1.407 -1.815 -1.757) 2.892 5.466 ( -0.432 1.189 -3.166) 3.410 5.537 ( -0.441 -2.203 1.709) 2.823 5.630 ( 2.226 -5.507 3.966) 7.142 5.737 ( -0.176 0.462 0.772) 0.917 5.844 ( 0.251 -0.440 2.647) 2.695 5.851 ( -0.647 0.259 -1.572) 1.720 5.866 ( -0.253 0.748 -1.036) 1.303 5.922 ( -0.652 2.117 0.100) 2.217 6.082 ( 1.988 3.617 -7.144) 8.251 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 13.193 7.026 5.871) 16.059 1.066 ( 12.805 7.592 10.336) 18.123 1.601 ( -8.600 6.914 -3.048) 11.448 1.709 ( 13.215 9.418 16.036) 22.814 1.866 ( -5.135 3.854 1.963) 6.714 1.934 ( -3.388 -0.280 0.821) 3.497 2.052 ( 1.978 3.725 -4.350) 6.058 2.210 ( 1.423 -4.069 5.154) 6.719 2.281 ( -0.266 -0.669 1.991) 2.117 2.326 ( -2.657 -5.250 -0.667) 5.921 2.413 ( -4.710 0.511 -3.303) 5.776 2.470 ( -0.776 1.325 -3.176) 3.527 2.584 ( -4.589 -3.942 4.625) 7.615 2.619 ( -0.078 -4.487 2.491) 5.133 2.691 ( 3.331 -0.645 3.181) 4.651 2.748 ( -5.805 -1.607 1.147) 6.132 2.917 ( 0.490 -0.839 1.964) 2.192 3.124 ( 2.360 2.418 -5.387) 6.359 3.175 ( -0.659 1.117 -0.817) 1.533 3.203 ( 1.924 -0.847 -1.915) 2.844 3.242 ( 2.687 -1.846 -3.952) 5.123 3.526 ( -7.041 -1.331 0.459) 7.180 3.799 ( 4.101 -6.429 -3.297) 8.308 3.960 ( -6.012 2.211 -3.441) 7.271 4.213 ( -3.972 1.674 4.966) 6.575 4.264 ( 1.016 4.925 -1.386) 5.216 4.325 ( 0.843 3.662 1.358) 3.996 4.481 ( 1.046 1.799 -0.897) 2.265 4.615 ( 0.976 -5.213 3.601) 6.411 4.633 ( 2.283 4.852 -1.213) 5.498 4.824 ( 0.664 -2.162 1.519) 2.724 4.895 ( -2.043 0.116 -0.444) 2.094 4.939 ( 2.295 1.753 -1.567) 3.286 4.967 ( 0.648 -3.346 0.582) 3.457 5.003 ( -1.484 -1.084 -0.697) 1.965 5.120 ( 0.889 4.031 -2.072) 4.618 5.215 ( 1.550 3.444 -0.972) 3.900 5.283 ( -2.758 -0.624 -2.656) 3.879 5.334 ( 0.417 0.898 3.308) 3.453 5.445 ( -0.980 -0.760 -1.310) 1.804 5.527 ( -1.008 -2.535 2.005) 3.386 5.666 ( 1.036 -5.143 1.971) 5.605 5.717 ( -1.953 0.771 1.047) 2.346 5.801 ( -3.035 0.883 -0.654) 3.228 5.845 ( -0.841 -0.593 2.744) 2.930 5.882 ( 1.198 2.928 -0.934) 3.299 5.927 ( 0.770 0.821 -0.363) 1.183 6.126 ( 3.744 -0.911 -6.401) 7.471 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 12.670 2.781 2.426) 13.197 1.296 ( 8.658 4.007 6.904) 11.776 1.439 ( -6.885 6.894 -0.015) 9.743 1.727 ( -8.570 2.710 2.366) 9.294 1.794 ( -3.033 -2.721 4.431) 6.019 1.978 ( 3.832 0.478 -0.008) 3.862 2.071 ( -1.805 0.526 -1.533) 2.426 2.240 ( 1.047 -1.317 1.787) 2.454 2.301 ( 2.240 -0.165 0.690) 2.350 2.332 ( 0.388 -1.158 2.800) 3.054 2.340 ( 1.075 -0.550 4.533) 4.691 2.436 ( -3.826 2.736 0.111) 4.705 2.489 ( -2.413 -2.826 0.981) 3.843 2.614 ( -3.858 -0.819 2.184) 4.508 2.707 ( 4.665 -0.499 -1.125) 4.825 2.758 ( 1.557 2.174 6.600) 7.121 2.918 ( -0.633 -2.775 -2.051) 3.509 3.108 ( -2.210 0.029 -3.964) 4.539 3.219 ( 3.148 0.894 -6.580) 7.348 3.224 ( -0.286 2.928 1.188) 3.172 3.294 ( 3.757 -1.829 -1.318) 4.382 3.388 ( -5.238 -0.287 0.443) 5.264 3.825 ( -6.676 1.700 -2.014) 7.178 3.858 ( 2.478 -4.125 -2.804) 5.570 4.161 ( -2.182 3.614 3.441) 5.447 4.286 ( 1.174 4.083 0.580) 4.288 4.335 ( -0.249 5.995 1.522) 6.190 4.502 ( 1.290 0.106 0.303) 1.329 4.605 ( -2.509 -2.482 3.468) 4.948 4.694 ( 3.987 1.895 -3.951) 5.925 4.839 ( 0.046 -0.627 0.177) 0.653 4.877 ( 0.607 0.180 -1.285) 1.432 4.944 ( -1.381 -1.323 -0.484) 1.973 4.972 ( -1.279 -1.898 -1.136) 2.555 5.012 ( 3.223 -3.511 2.150) 5.229 5.125 ( 0.038 1.418 -2.506) 2.880 5.225 ( -1.238 2.085 -1.180) 2.697 5.259 ( 1.859 2.946 -1.869) 3.953 5.338 ( -0.324 -0.602 1.525) 1.671 5.432 ( -0.223 -2.069 0.718) 2.202 5.508 ( -1.471 -1.950 2.008) 3.162 5.676 ( -1.904 1.004 0.295) 2.173 5.684 ( 0.149 -5.299 1.824) 5.606 5.748 ( -2.146 1.830 -0.618) 2.887 5.825 ( -1.606 -0.964 2.112) 2.823 5.899 ( 0.597 3.501 -0.510) 3.588 5.937 ( 0.338 0.073 -1.637) 1.673 6.182 ( 3.179 -2.420 -5.447) 6.755 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -3.428 4.646 0.526) 5.798 1.342 ( -1.572 3.611 1.698) 4.288 1.454 ( -2.385 6.410 1.555) 7.014 1.638 ( 4.115 -2.817 6.482) 8.179 1.761 ( -2.347 -3.345 3.356) 5.288 1.944 ( -3.780 2.189 -4.449) 6.235 2.056 ( 0.719 -4.696 -0.197) 4.754 2.201 ( -2.387 -1.359 0.397) 2.775 2.323 ( -2.584 -1.729 -0.058) 3.110 2.364 ( 3.025 3.220 6.067) 7.506 2.401 ( 1.249 -5.839 2.954) 6.662 2.418 ( 2.264 -0.087 2.651) 3.487 2.506 ( 3.363 -0.965 0.635) 3.555 2.567 ( -1.184 1.402 1.711) 2.509 2.728 ( -3.571 2.920 1.140) 4.751 2.864 ( 5.903 10.044 3.112) 12.058 2.884 ( -1.434 -2.383 -3.002) 4.092 3.008 ( -6.226 4.230 0.661) 7.556 3.167 ( -0.945 -0.739 -3.387) 3.593 3.260 ( 0.847 -2.272 -4.973) 5.533 3.365 ( 2.095 -2.872 1.866) 4.015 3.404 ( 5.523 0.546 -1.335) 5.708 3.727 ( -2.190 1.168 -2.069) 3.231 3.888 ( 1.381 -3.163 -1.277) 3.680 4.145 ( -0.348 4.956 2.496) 5.560 4.306 ( 0.128 3.850 3.454) 5.174 4.329 ( -0.218 4.592 0.199) 4.602 4.529 ( 0.940 -0.501 1.175) 1.586 4.556 ( -2.261 1.418 1.944) 3.302 4.735 ( 0.656 -0.587 -5.201) 5.275 4.832 ( -0.323 -1.600 -1.678) 2.341 4.883 ( -0.855 0.106 -1.144) 1.432 4.914 ( -0.861 -1.788 -0.724) 2.112 4.947 ( -0.753 -2.162 -1.235) 2.601 5.063 ( 0.557 -1.538 4.120) 4.433 5.141 ( 3.183 0.473 -3.234) 4.563 5.206 ( -0.565 2.257 -0.054) 2.328 5.284 ( 0.655 2.527 -0.011) 2.611 5.336 ( -0.075 -1.814 -1.345) 2.259 5.437 ( 0.207 -1.725 1.728) 2.450 5.485 ( -1.040 -1.147 1.899) 2.451 5.646 ( -1.059 -0.493 1.086) 1.594 5.687 ( -0.301 -3.520 0.291) 3.545 5.730 ( 0.476 1.633 -0.013) 1.701 5.801 ( -1.194 -0.877 1.064) 1.824 5.902 ( -0.094 3.519 -0.729) 3.595 5.928 ( -0.859 -0.331 -2.853) 2.998 6.217 ( 1.599 -2.785 -4.382) 5.433 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -13.337 4.485 0.751) 14.091 1.247 ( -11.386 6.028 3.922) 13.467 1.426 ( 5.829 2.883 -0.232) 6.507 1.618 ( -7.222 -4.468 2.948) 8.989 1.853 ( 7.681 3.025 4.551) 9.427 1.923 ( 1.492 3.532 1.202) 4.018 2.036 ( -1.825 -1.231 0.041) 2.202 2.221 ( 2.803 -2.879 -1.075) 4.159 2.277 ( -1.641 -1.880 -1.103) 2.729 2.359 ( -5.659 -1.540 1.115) 5.969 2.438 ( 2.353 2.611 6.791) 7.647 2.478 ( 3.785 -1.694 0.703) 4.205 2.543 ( -2.014 1.234 -1.023) 2.574 2.572 ( 2.882 -1.542 -0.052) 3.269 2.682 ( 0.373 2.635 7.637) 8.088 2.808 ( -5.546 5.119 3.566) 8.347 2.855 ( -1.975 -1.179 -3.314) 4.034 3.036 ( 2.295 3.626 -3.903) 5.801 3.173 ( 1.910 -0.936 -4.138) 4.653 3.276 ( 3.320 -0.488 -3.174) 4.619 3.392 ( 0.093 -4.801 1.056) 4.917 3.474 ( 1.460 1.407 2.376) 3.123 3.745 ( 3.507 -4.407 -3.596) 6.682 3.926 ( 3.569 -0.179 -0.773) 3.656 4.149 ( 0.169 5.997 1.216) 6.122 4.285 ( -2.570 2.138 2.568) 4.216 4.343 ( 0.897 3.013 2.264) 3.874 4.509 ( -1.619 2.513 2.607) 3.967 4.579 ( 2.626 1.111 0.099) 2.853 4.697 ( -3.038 -1.514 -4.386) 5.546 4.819 ( -0.928 -1.022 -3.797) 4.040 4.840 ( -2.233 -0.502 0.434) 2.330 4.896 ( -1.059 -1.637 -1.754) 2.622 4.961 ( 1.933 -1.969 -0.249) 2.770 5.074 ( 0.403 0.220 2.996) 3.031 5.167 ( -0.432 5.800 -2.254) 6.237 5.233 ( 2.254 -1.035 1.107) 2.716 5.292 ( 0.659 -0.122 -0.618) 0.911 5.325 ( 0.001 -0.124 -0.555) 0.569 5.438 ( -0.516 -1.454 2.364) 2.823 5.489 ( 0.801 -0.363 1.205) 1.492 5.634 ( -1.019 -4.268 0.694) 4.442 5.685 ( 0.466 -0.734 -0.108) 0.877 5.760 ( 2.314 1.270 0.181) 2.646 5.786 ( -0.470 -0.298 0.061) 0.560 5.893 ( -1.058 1.230 -2.763) 3.204 5.899 ( -0.580 1.889 -1.675) 2.590 6.223 ( -0.050 -2.732 -3.533) 4.467 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( -16.205 6.971 2.007) 17.755 0.979 ( -16.327 5.773 9.864) 19.930 1.464 ( -10.092 10.490 7.477) 16.364 1.622 ( 12.212 4.192 -2.555) 13.162 1.886 ( -1.127 1.105 1.418) 2.122 2.010 ( 1.916 6.540 5.830) 8.969 2.037 ( 1.793 -3.851 0.093) 4.249 2.183 ( -3.464 1.888 1.622) 4.265 2.246 ( -1.188 -2.497 -4.942) 5.663 2.333 ( 2.515 0.683 0.448) 2.644 2.481 ( 0.867 1.575 5.134) 5.440 2.509 ( -1.094 -3.366 -1.616) 3.891 2.529 ( 1.151 -2.963 0.495) 3.217 2.674 ( 2.257 -2.993 -0.038) 3.749 2.677 ( 1.426 -1.323 5.330) 5.674 2.763 ( 1.092 -0.453 2.291) 2.578 2.841 ( 0.621 2.437 -0.856) 2.657 3.009 ( -2.467 3.013 -4.801) 6.181 3.195 ( 1.036 1.731 -3.302) 3.870 3.309 ( -3.006 -1.450 -0.050) 3.338 3.408 ( 2.854 -5.256 -2.937) 6.663 3.501 ( 2.145 1.404 1.732) 3.094 3.787 ( 0.937 -9.845 -1.184) 9.960 4.017 ( 5.269 0.706 -3.232) 6.221 4.160 ( 1.242 5.503 1.000) 5.730 4.242 ( -1.994 2.060 2.033) 3.515 4.352 ( -0.751 4.137 2.101) 4.700 4.493 ( -0.789 -1.242 3.363) 3.670 4.615 ( -0.535 -0.685 1.412) 1.658 4.634 ( -1.279 2.205 -2.822) 3.803 4.768 ( -2.360 -0.405 -2.475) 3.444 4.844 ( 2.339 0.927 -0.673) 2.604 4.885 ( 0.756 -0.316 -2.347) 2.486 4.991 ( 0.825 -2.273 1.482) 2.835 5.082 ( -0.626 1.606 -1.801) 2.493 5.160 ( 0.150 4.383 1.780) 4.733 5.222 ( -1.288 1.155 -1.888) 2.561 5.314 ( 0.998 -0.255 3.348) 3.503 5.379 ( 4.698 0.326 -1.365) 4.904 5.427 ( -1.157 0.473 1.753) 2.153 5.505 ( 0.580 -0.548 0.704) 1.064 5.600 ( -2.686 -7.389 0.392) 7.872 5.701 ( 0.682 0.015 0.429) 0.806 5.774 ( 0.031 0.204 -0.985) 1.006 5.813 ( 2.372 1.799 -0.131) 2.980 5.864 ( -0.722 -0.826 -3.314) 3.490 5.906 ( 1.291 4.245 -0.359) 4.451 6.203 ( -1.132 -2.026 -3.625) 4.304 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -7.910 13.622 9.195) 18.240 0.729 ( -11.405 11.933 13.839) 21.541 1.262 ( -12.390 24.860 17.274) 32.710 1.822 ( 7.487 2.632 -2.114) 8.213 1.873 ( -0.388 -0.257 1.791) 1.851 1.976 ( -2.198 5.156 0.040) 5.605 2.109 ( 4.078 -5.157 0.777) 6.620 2.184 ( 0.171 0.886 3.389) 3.507 2.219 ( 0.062 -1.202 -3.857) 4.040 2.381 ( 2.322 0.099 0.705) 2.429 2.484 ( -0.851 -5.452 -2.135) 5.917 2.497 ( 0.018 -1.504 0.767) 1.689 2.534 ( -0.135 -3.135 0.215) 3.145 2.640 ( -0.737 -1.284 1.573) 2.160 2.765 ( 1.261 -1.441 5.140) 5.485 2.831 ( 3.462 -1.061 1.341) 3.862 2.865 ( 2.786 2.958 -1.233) 4.247 2.969 ( 0.312 3.220 -4.131) 5.247 3.193 ( -0.723 3.695 -2.380) 4.454 3.208 ( -5.694 0.536 -2.082) 6.086 3.408 ( -2.610 -5.026 1.610) 5.887 3.578 ( 4.781 -1.838 -2.969) 5.921 3.773 ( -2.174 -11.528 0.033) 11.731 4.070 ( 1.315 0.391 -3.470) 3.731 4.216 ( 3.702 1.469 -0.754) 4.054 4.225 ( -0.493 4.045 3.834) 5.595 4.329 ( -0.903 2.677 -0.658) 2.901 4.494 ( 0.050 -3.426 4.655) 5.780 4.584 ( -4.175 -0.854 1.743) 4.604 4.617 ( 1.302 5.366 -0.588) 5.553 4.743 ( 0.132 -2.755 -2.010) 3.413 4.907 ( 3.358 3.290 -3.185) 5.679 4.933 ( 4.958 1.366 0.329) 5.154 4.993 ( -1.556 -2.027 2.213) 3.380 5.033 ( -2.664 2.935 -3.907) 5.566 5.157 ( -0.751 0.228 1.383) 1.590 5.227 ( 0.880 2.755 0.060) 2.893 5.325 ( -0.718 -0.373 0.030) 0.810 5.407 ( -1.798 2.436 -0.697) 3.107 5.450 ( 2.451 -0.498 -1.067) 2.719 5.515 ( 0.426 -2.816 1.619) 3.276 5.549 ( -1.648 -4.490 2.931) 5.609 5.706 ( 0.338 -0.771 -0.512) 0.986 5.788 ( 1.508 1.242 0.193) 1.963 5.845 ( 0.521 0.195 -1.362) 1.471 5.858 ( 1.122 0.127 -1.365) 1.771 5.939 ( 1.794 3.849 -0.195) 4.251 6.165 ( -1.974 1.397 -6.516) 6.950 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 2.471 18.108 10.548) 21.101 1.000 ( 1.991 20.772 5.201) 21.506 1.694 ( 1.856 18.268 7.502) 19.836 1.821 ( -0.363 -2.315 -0.081) 2.345 1.950 ( 0.212 -4.077 2.632) 4.858 2.045 ( 0.419 7.004 1.468) 7.168 2.096 ( -0.450 4.785 0.112) 4.807 2.183 ( 0.501 -3.102 -0.784) 3.238 2.186 ( 1.008 2.130 -7.816) 8.164 2.297 ( -0.508 -7.898 -0.922) 7.968 2.410 ( -1.101 -1.582 0.456) 1.980 2.468 ( 0.151 3.373 -0.425) 3.403 2.555 ( 1.116 -0.370 -1.651) 2.027 2.633 ( -0.588 0.637 3.592) 3.695 2.721 ( -2.805 -2.625 3.038) 4.897 2.856 ( -1.083 1.646 2.316) 3.041 2.913 ( -0.763 0.252 2.917) 3.026 3.087 ( 2.543 -2.563 -4.996) 6.164 3.149 ( 1.418 3.361 -3.508) 5.061 3.228 ( -4.193 -3.794 0.539) 5.680 3.325 ( -0.445 5.033 4.269) 6.615 3.496 ( 0.437 -11.044 0.514) 11.065 3.528 ( -0.042 -6.198 -1.138) 6.302 3.926 ( -0.218 -15.639 1.345) 15.698 4.250 ( 0.480 2.100 2.626) 3.396 4.329 ( -0.476 6.585 1.071) 6.688 4.451 ( 1.348 7.011 -0.064) 7.140 4.477 ( 1.029 0.045 1.990) 2.241 4.556 ( -2.900 2.953 0.698) 4.197 4.624 ( 1.606 -6.300 -0.305) 6.509 4.760 ( -0.533 4.045 -0.037) 4.080 4.917 ( -1.018 -2.712 3.502) 4.545 4.972 ( -1.501 1.256 -1.316) 2.358 4.988 ( 1.159 -0.038 -1.878) 2.207 5.068 ( -0.004 1.793 -0.784) 1.957 5.190 ( 0.507 2.212 1.265) 2.598 5.263 ( -1.163 2.418 -0.606) 2.750 5.301 ( 0.706 -1.516 -0.988) 1.943 5.341 ( -1.253 -0.584 -2.610) 2.954 5.428 ( 0.105 -2.861 -0.263) 2.875 5.494 ( 0.650 -1.287 -0.606) 1.564 5.579 ( 0.540 -0.135 -2.155) 2.226 5.715 ( 1.813 0.176 -0.043) 1.822 5.804 ( 1.337 -1.709 1.090) 2.428 5.878 ( 0.281 2.784 -1.185) 3.039 5.897 ( 0.120 1.710 0.041) 1.715 5.971 ( -0.941 1.912 -0.134) 2.135 6.168 ( -0.658 0.282 -7.091) 7.127 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 1.811 17.917 7.340) 19.447 1.097 ( 7.114 16.767 9.340) 20.469 1.780 ( 4.624 13.996 8.225) 16.879 1.822 ( 0.359 1.317 -2.158) 2.553 1.937 ( -2.821 -6.649 2.141) 7.534 2.035 ( -2.728 1.054 2.507) 3.852 2.082 ( -0.068 12.132 0.785) 12.158 2.165 ( 0.348 1.982 -4.393) 4.832 2.230 ( 2.414 -5.150 -4.761) 7.418 2.272 ( -1.099 -2.976 0.197) 3.179 2.399 ( -0.218 -2.753 -1.453) 3.121 2.486 ( 1.831 1.903 1.329) 2.956 2.551 ( -2.640 -2.701 -3.659) 5.258 2.606 ( -3.086 -0.470 5.670) 6.472 2.671 ( -1.171 0.404 2.437) 2.734 2.812 ( -3.540 -0.290 0.257) 3.561 2.912 ( -0.319 0.167 3.732) 3.749 3.093 ( 0.241 -5.245 -1.336) 5.418 3.142 ( -3.094 -4.329 -1.980) 5.678 3.178 ( 1.719 -0.117 -5.729) 5.982 3.285 ( -4.154 4.107 4.088) 7.130 3.545 ( 1.111 -2.123 0.513) 2.450 3.584 ( 7.139 -5.281 0.083) 8.880 3.935 ( 0.571 -13.829 0.883) 13.869 4.271 ( 0.588 2.918 3.754) 4.791 4.316 ( -0.550 4.351 -0.325) 4.398 4.437 ( -2.853 5.125 -1.646) 6.092 4.490 ( 0.521 -0.397 4.197) 4.248 4.553 ( 2.064 5.361 -0.351) 5.755 4.671 ( 2.730 -7.574 1.038) 8.118 4.747 ( 0.147 5.244 -0.473) 5.267 4.900 ( -1.074 -1.686 2.377) 3.106 4.959 ( 0.018 1.585 -0.674) 1.723 4.986 ( -1.808 -1.373 -0.738) 2.387 5.035 ( -2.127 3.013 -2.934) 4.714 5.195 ( -0.221 1.996 0.345) 2.037 5.257 ( 0.796 1.935 0.077) 2.094 5.296 ( -1.598 -1.091 -2.835) 3.432 5.333 ( 0.592 0.035 0.108) 0.603 5.443 ( 1.238 -2.162 -1.702) 3.017 5.499 ( -0.235 -2.105 -0.297) 2.139 5.557 ( -1.513 -2.838 -0.727) 3.298 5.746 ( 0.821 0.596 0.940) 1.382 5.827 ( 0.408 -1.255 2.423) 2.760 5.867 ( -1.488 1.245 -0.729) 2.073 5.898 ( 0.606 2.328 -0.855) 2.553 5.958 ( -0.112 2.244 -1.026) 2.470 6.124 ( -1.681 0.511 -6.069) 6.319 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 5.069 11.660 5.163) 13.722 1.273 ( 8.660 13.166 8.181) 17.756 1.765 ( -5.999 8.681 -0.308) 10.557 1.813 ( -6.695 -2.324 3.674) 7.982 1.915 ( 3.508 3.631 2.294) 5.546 1.987 ( -3.598 2.407 -2.612) 5.056 2.060 ( -0.508 -3.682 4.654) 5.956 2.198 ( 2.163 2.838 -2.560) 4.392 2.213 ( -2.413 -4.786 -2.982) 6.133 2.303 ( 2.598 3.596 1.818) 4.794 2.391 ( -0.343 -3.687 -1.751) 4.096 2.463 ( -3.178 -0.624 -1.691) 3.653 2.534 ( -3.273 -2.112 1.364) 4.127 2.557 ( 3.395 1.266 -0.624) 3.677 2.689 ( -0.171 1.162 1.425) 1.847 2.746 ( -1.469 1.031 5.295) 5.591 2.910 ( -0.608 -1.060 1.062) 1.619 3.107 ( 1.672 -7.657 -1.323) 7.948 3.127 ( 1.230 -2.502 -2.959) 4.066 3.196 ( 0.067 -3.127 -2.765) 4.174 3.233 ( 0.505 5.163 -0.107) 5.189 3.538 ( -2.468 2.448 3.332) 4.816 3.707 ( 4.781 -3.096 1.788) 5.970 3.935 ( -0.904 -6.229 -1.736) 6.530 4.265 ( -1.860 3.841 3.291) 5.389 4.315 ( 0.144 1.543 -2.053) 2.573 4.410 ( 1.199 3.792 1.702) 4.326 4.508 ( 0.308 -0.147 3.003) 3.023 4.588 ( 1.325 4.976 -0.140) 5.152 4.706 ( 1.040 -1.383 -0.194) 1.741 4.794 ( 4.142 0.344 0.419) 4.178 4.893 ( -0.305 -2.025 1.727) 2.678 4.913 ( -3.799 1.847 1.075) 4.359 4.957 ( -1.244 -2.348 -2.041) 3.351 5.001 ( -0.789 3.399 -2.593) 4.347 5.175 ( -1.889 0.936 -1.398) 2.530 5.247 ( -1.836 -2.843 -2.175) 4.022 5.294 ( 2.152 4.046 -1.346) 4.776 5.338 ( -0.401 -1.029 2.298) 2.550 5.431 ( -2.239 -0.097 -3.543) 4.193 5.478 ( -0.824 -2.323 1.591) 2.933 5.566 ( 1.627 -5.222 1.430) 5.653 5.737 ( -1.892 1.025 1.114) 2.423 5.817 ( -1.859 -0.777 1.071) 2.282 5.835 ( -1.289 1.211 0.419) 1.818 5.918 ( 1.396 1.312 -1.456) 2.406 5.959 ( 0.283 1.989 -1.036) 2.261 6.101 ( 0.695 -1.670 -5.277) 5.579 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 8.986 3.434 1.685) 9.767 1.422 ( 4.790 8.836 5.623) 11.517 1.596 ( -9.439 8.039 1.976) 12.555 1.718 ( -4.670 -1.445 2.516) 5.498 1.853 ( -6.858 6.409 -1.606) 9.523 1.984 ( 1.031 -0.705 -0.388) 1.308 2.056 ( -3.665 -2.058 1.177) 4.364 2.159 ( 0.361 -8.554 2.295) 8.864 2.238 ( 1.994 0.913 -2.466) 3.300 2.342 ( 1.109 0.340 2.680) 2.920 2.357 ( -2.692 -2.504 1.777) 4.083 2.443 ( -0.747 1.963 -0.036) 2.100 2.466 ( -0.272 -0.619 -3.827) 3.886 2.637 ( -2.336 0.694 1.135) 2.688 2.678 ( 6.476 -0.650 -4.567) 7.951 2.815 ( 5.150 4.003 7.809) 10.175 2.891 ( -1.125 -1.488 -1.523) 2.409 3.113 ( -1.180 -0.117 -3.781) 3.963 3.149 ( 2.323 -5.942 -0.249) 6.385 3.218 ( 1.948 -3.589 1.990) 4.542 3.284 ( 3.044 1.998 -0.684) 3.705 3.475 ( -3.700 7.684 2.372) 8.852 3.756 ( -0.551 -3.933 3.870) 5.545 3.897 ( -1.498 2.767 -4.370) 5.385 4.234 ( -1.600 3.423 2.827) 4.719 4.323 ( 1.320 -0.281 -1.415) 1.956 4.459 ( 1.496 6.638 1.135) 6.899 4.511 ( 0.292 -1.265 4.204) 4.399 4.603 ( 0.296 4.118 -0.152) 4.132 4.719 ( 0.539 1.346 -2.007) 2.476 4.836 ( -1.256 -2.585 -0.448) 2.909 4.878 ( -0.345 -4.776 0.870) 4.866 4.900 ( 0.957 2.674 1.708) 3.314 4.926 ( -0.564 -0.929 -0.665) 1.274 4.993 ( 0.563 2.042 -1.259) 2.464 5.125 ( -2.570 -1.911 -1.675) 3.614 5.224 ( 0.369 -3.303 -2.537) 4.181 5.307 ( -1.820 -0.916 -1.028) 2.282 5.333 ( 0.257 2.678 0.769) 2.798 5.402 ( 0.394 -0.003 0.551) 0.678 5.474 ( -0.312 -1.530 1.212) 1.977 5.593 ( 0.503 -4.341 1.574) 4.645 5.696 ( -2.030 1.099 0.339) 2.333 5.784 ( -1.518 -0.330 -0.096) 1.556 5.812 ( -1.191 1.729 0.451) 2.147 5.933 ( 0.348 0.444 -1.673) 1.766 5.959 ( -0.059 1.850 -1.260) 2.240 6.119 ( 1.979 -3.845 -4.785) 6.449 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -1.433 1.492 -0.817) 2.224 1.470 ( -2.723 8.870 1.092) 9.343 1.536 ( 6.336 0.981 4.828) 8.026 1.584 ( -10.077 3.248 2.786) 10.948 1.769 ( -0.478 1.609 -1.251) 2.093 1.926 ( -3.672 -4.094 -4.122) 6.873 2.051 ( 2.378 3.401 3.724) 5.576 2.190 ( 0.835 -8.625 1.928) 8.877 2.239 ( -1.244 3.709 -2.965) 4.909 2.323 ( -1.129 -2.846 0.433) 3.093 2.380 ( 2.113 -1.761 4.769) 5.505 2.446 ( 1.813 3.206 0.280) 3.694 2.482 ( 1.585 -1.031 -2.605) 3.219 2.614 ( -0.467 2.575 1.777) 3.163 2.741 ( 0.757 -1.761 -0.962) 2.145 2.862 ( -0.335 -0.637 -3.160) 3.241 2.969 ( 8.151 1.974 1.645) 8.547 3.092 ( -0.570 1.685 -2.517) 3.082 3.155 ( -4.829 -2.390 4.267) 6.873 3.211 ( -1.559 -0.850 0.625) 1.882 3.305 ( -0.121 -1.681 4.668) 4.963 3.479 ( 3.639 7.000 -3.583) 8.665 3.707 ( -4.269 -2.237 2.778) 5.563 3.898 ( 2.311 3.500 -2.315) 4.791 4.226 ( 0.169 2.787 3.067) 4.148 4.348 ( 1.222 0.023 -0.193) 1.238 4.424 ( -3.687 4.449 -0.096) 5.779 4.566 ( 2.407 4.451 4.480) 6.759 4.605 ( 0.499 2.990 0.599) 3.090 4.714 ( -0.797 0.118 -2.778) 2.893 4.794 ( -1.909 -2.776 -2.707) 4.322 4.873 ( -0.379 -1.555 0.253) 1.620 4.887 ( -0.924 -2.131 -0.989) 2.524 4.929 ( -0.964 2.559 0.613) 2.803 5.038 ( 3.208 -1.123 2.315) 4.112 5.102 ( 1.448 -3.451 -0.534) 3.780 5.246 ( 2.061 -2.715 -2.652) 4.319 5.269 ( -1.413 -2.582 -0.478) 2.982 5.331 ( -0.388 2.794 0.248) 2.832 5.417 ( -0.004 0.374 1.449) 1.497 5.470 ( 0.097 -0.543 0.633) 0.839 5.584 ( -1.719 -4.051 1.423) 4.625 5.678 ( 0.212 1.021 -0.210) 1.063 5.764 ( -0.471 -0.790 -0.074) 0.923 5.801 ( 0.190 3.145 -0.203) 3.157 5.922 ( -0.962 -0.027 -2.556) 2.731 5.952 ( -0.282 1.672 -1.917) 2.559 6.143 ( 1.336 -4.718 -3.864) 6.243 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -11.196 4.672 0.240) 12.133 1.375 ( -11.732 7.811 5.404) 15.095 1.508 ( 6.634 5.291 -1.470) 8.612 1.607 ( 1.370 3.104 0.819) 3.490 1.872 ( 0.138 -3.289 -2.266) 3.997 1.895 ( 9.822 -4.894 -1.347) 11.056 2.086 ( -0.778 4.739 3.110) 5.721 2.189 ( -1.489 -4.878 -1.308) 5.265 2.230 ( 2.390 3.913 -0.240) 4.592 2.304 ( -0.925 -2.750 -0.259) 2.913 2.426 ( 1.744 -2.245 2.566) 3.830 2.490 ( 1.046 1.229 0.789) 1.796 2.510 ( 1.762 -2.099 -1.573) 3.160 2.618 ( 1.255 3.100 0.498) 3.381 2.732 ( -1.440 1.516 3.172) 3.799 2.864 ( 1.116 1.326 -1.949) 2.608 2.942 ( -12.068 7.312 7.677) 16.063 3.077 ( -1.212 0.469 -3.230) 3.481 3.135 ( 5.353 -2.703 -3.197) 6.796 3.233 ( 2.956 -4.087 1.251) 5.197 3.300 ( -1.675 -2.465 3.321) 4.462 3.529 ( 1.721 3.502 -1.684) 4.250 3.641 ( -3.016 -4.881 2.359) 6.204 3.953 ( 3.062 1.339 -1.037) 3.499 4.249 ( 1.219 3.778 3.620) 5.372 4.348 ( -3.383 3.489 0.856) 4.934 4.369 ( 0.606 0.287 -0.246) 0.714 4.568 ( -2.879 3.836 0.814) 4.865 4.629 ( 0.645 1.667 2.654) 3.199 4.680 ( -1.329 1.757 -2.790) 3.555 4.779 ( 0.670 -1.799 -1.142) 2.234 4.858 ( -1.112 1.172 -0.729) 1.772 4.878 ( 0.362 0.141 -2.134) 2.169 4.924 ( 1.309 -1.320 0.850) 2.044 5.082 ( 1.636 0.652 1.992) 2.659 5.182 ( 4.724 -4.354 1.000) 6.502 5.252 ( -0.197 -0.639 -0.137) 0.682 5.268 ( 0.374 -0.558 -2.255) 2.353 5.331 ( 0.911 1.713 -1.226) 2.295 5.409 ( -0.432 -0.843 2.315) 2.501 5.486 ( 1.102 -0.212 0.541) 1.245 5.540 ( -2.966 -4.355 0.235) 5.274 5.693 ( 1.046 0.849 -0.312) 1.383 5.761 ( 0.014 -1.194 -0.006) 1.195 5.820 ( 1.705 3.463 -0.184) 3.864 5.892 ( -1.258 0.404 -3.674) 3.904 5.946 ( 0.306 1.513 -2.159) 2.654 6.151 ( 0.339 -4.564 -3.012) 5.479 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -9.447 11.594 2.526) 15.167 1.173 ( -10.445 13.099 5.945) 17.777 1.629 ( 2.510 6.797 -0.059) 7.246 1.696 ( 10.521 0.264 -2.510) 10.819 1.861 ( 0.020 -6.458 -0.031) 6.458 2.030 ( -0.633 6.040 1.849) 6.348 2.103 ( 5.860 -2.447 -2.644) 6.879 2.155 ( -1.482 -3.122 -2.491) 4.260 2.242 ( -2.261 7.114 3.390) 8.198 2.323 ( 2.631 -4.349 -1.476) 5.293 2.444 ( -1.128 -0.990 0.700) 1.657 2.484 ( -0.561 -0.195 -2.969) 3.028 2.521 ( 0.456 0.156 1.162) 1.258 2.676 ( -0.591 2.376 1.260) 2.754 2.707 ( 1.555 4.057 7.025) 8.260 2.763 ( -5.073 2.529 5.071) 7.606 2.901 ( 2.212 3.291 0.726) 4.031 3.033 ( -2.028 0.348 -3.500) 4.060 3.210 ( 2.883 -1.815 -3.610) 4.963 3.241 ( -2.864 -6.817 1.427) 7.530 3.308 ( 2.163 -2.517 0.375) 3.340 3.544 ( 0.250 2.577 0.081) 2.590 3.598 ( -2.447 -8.773 2.670) 9.491 3.979 ( -0.548 -5.757 0.160) 5.785 4.267 ( -0.821 4.362 3.906) 5.912 4.305 ( -0.463 4.380 0.263) 4.412 4.396 ( 2.030 -0.154 1.168) 2.347 4.493 ( -3.844 4.701 -1.033) 6.160 4.619 ( -1.280 -1.915 0.031) 2.303 4.663 ( -1.091 1.512 0.753) 2.011 4.777 ( -1.148 1.684 -0.728) 2.164 4.868 ( 2.471 0.808 -0.834) 2.730 4.893 ( 2.271 1.749 -0.994) 3.034 4.969 ( 2.136 0.129 1.308) 2.508 5.108 ( 0.069 1.345 -0.224) 1.366 5.195 ( -1.589 -0.384 -0.349) 1.672 5.260 ( -0.171 0.987 -0.442) 1.095 5.293 ( 2.369 -1.678 1.811) 3.422 5.380 ( 3.966 -0.234 -1.461) 4.233 5.426 ( 2.064 -0.619 0.827) 2.309 5.469 ( -3.626 -4.139 -1.683) 5.754 5.510 ( 0.568 -0.436 0.364) 0.803 5.702 ( -0.269 0.122 -0.369) 0.473 5.766 ( 0.599 -1.308 -0.362) 1.484 5.853 ( 1.476 1.861 -0.545) 2.437 5.872 ( 0.223 2.381 -2.945) 3.793 5.961 ( 1.581 1.655 -1.581) 2.782 6.150 ( 0.553 -3.395 -3.053) 4.599 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -0.756 18.781 5.437) 19.567 1.026 ( -5.932 17.493 7.092) 19.786 1.662 ( 0.988 11.534 3.394) 12.064 1.831 ( 0.807 -2.256 -1.837) 3.019 1.900 ( 5.186 -6.208 1.482) 8.224 2.026 ( 0.867 7.372 1.946) 7.674 2.106 ( -1.685 3.512 -3.495) 5.233 2.174 ( 1.356 -2.076 -5.077) 5.650 2.205 ( -1.837 5.184 3.757) 6.661 2.322 ( -2.106 -7.902 -1.480) 8.310 2.420 ( -0.272 2.488 2.367) 3.445 2.475 ( -0.300 0.792 -2.782) 2.908 2.537 ( 0.986 0.245 -0.457) 1.114 2.635 ( -1.019 1.231 3.271) 3.640 2.738 ( -0.442 -1.551 4.118) 4.423 2.815 ( 4.732 1.588 5.054) 7.103 2.927 ( -0.558 2.370 1.891) 3.083 3.024 ( 3.060 2.737 -5.225) 6.645 3.167 ( -2.624 -4.110 -1.679) 5.157 3.263 ( 1.221 -0.368 -0.681) 1.446 3.319 ( -0.513 -2.377 0.248) 2.445 3.533 ( -2.066 -5.513 -0.434) 5.904 3.553 ( -2.504 -7.323 2.998) 8.300 3.947 ( -2.149 -12.820 1.028) 13.040 4.249 ( -1.034 1.761 2.753) 3.428 4.320 ( 1.068 7.138 1.075) 7.297 4.440 ( 1.158 4.763 -0.273) 4.910 4.444 ( -0.096 2.057 1.478) 2.535 4.600 ( -0.923 -2.765 0.126) 2.918 4.629 ( -2.259 -0.049 0.076) 2.260 4.761 ( -0.131 3.942 0.056) 3.944 4.904 ( 1.669 -2.643 0.437) 3.157 4.962 ( 3.087 1.908 -0.138) 3.631 4.991 ( 0.140 1.201 0.694) 1.394 5.073 ( -2.064 1.715 -1.477) 3.063 5.181 ( -0.011 1.788 0.620) 1.893 5.266 ( 0.555 0.669 -0.224) 0.898 5.315 ( -0.333 -0.904 -0.078) 0.967 5.383 ( -3.087 -3.871 -2.123) 5.387 5.429 ( 0.258 -0.835 0.676) 1.105 5.477 ( 1.574 -0.581 -0.842) 1.877 5.540 ( 3.275 0.597 -1.990) 3.878 5.695 ( 0.219 -0.149 -0.833) 0.874 5.780 ( 0.931 -2.022 0.252) 2.240 5.869 ( 0.915 2.518 -2.201) 3.467 5.886 ( 0.937 2.432 0.150) 2.611 5.981 ( 0.297 1.407 -0.399) 1.493 6.166 ( 1.753 -1.353 -5.243) 5.692 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 1.584 16.817 7.496) 18.480 1.388 ( 2.280 18.983 1.448) 19.174 1.620 ( 1.318 -12.828 5.858) 14.164 1.724 ( 1.769 -14.764 0.301) 14.873 1.956 ( 2.004 7.135 -3.444) 8.172 2.066 ( 0.304 -3.262 -2.968) 4.421 2.106 ( 1.089 -0.393 -3.514) 3.699 2.156 ( 0.445 -5.848 -2.317) 6.306 2.286 ( 0.477 6.729 -3.601) 7.647 2.370 ( -2.148 1.594 -0.471) 2.716 2.455 ( 0.388 7.191 1.278) 7.314 2.521 ( -0.153 -0.778 -1.604) 1.790 2.561 ( 1.399 4.385 -4.466) 6.414 2.646 ( -0.504 -4.051 -1.267) 4.275 2.742 ( -4.172 14.112 9.643) 17.594 2.900 ( -3.700 2.099 3.116) 5.273 2.954 ( -0.757 2.860 3.441) 4.538 2.999 ( 0.053 -4.865 -1.186) 5.008 3.120 ( -5.174 -6.568 1.971) 8.590 3.146 ( -5.285 -8.374 -0.936) 9.946 3.331 ( 8.638 -0.175 1.026) 8.701 3.390 ( 8.233 -2.170 -0.929) 8.565 3.477 ( -4.326 2.873 4.140) 6.641 3.622 ( -2.974 -12.729 7.096) 14.874 4.325 ( 0.710 5.173 1.421) 5.412 4.415 ( -0.514 -1.669 -0.741) 1.897 4.472 ( 1.443 2.174 2.347) 3.509 4.516 ( -0.100 -2.485 0.583) 2.554 4.572 ( -1.214 2.706 0.350) 2.987 4.594 ( -0.557 0.633 2.645) 2.776 4.821 ( -0.001 2.563 -1.386) 2.914 4.868 ( -0.119 -2.365 0.373) 2.397 4.991 ( -0.949 1.474 -0.395) 1.797 5.006 ( -0.037 0.658 0.342) 0.743 5.107 ( 0.170 2.496 -1.662) 3.003 5.175 ( -0.203 -3.779 -0.591) 3.830 5.278 ( 1.557 0.127 0.151) 1.570 5.285 ( -0.991 -0.366 -0.177) 1.072 5.346 ( -0.151 1.588 -1.620) 2.273 5.383 ( -0.871 -2.103 -0.290) 2.295 5.497 ( -0.042 1.607 -2.859) 3.280 5.544 ( -0.166 -2.783 -3.608) 4.560 5.733 ( 2.004 1.566 0.268) 2.557 5.768 ( 1.921 -1.922 0.499) 2.763 5.908 ( -0.345 1.003 -0.103) 1.065 5.920 ( -0.369 -0.034 0.112) 0.387 6.048 ( 0.097 5.261 -2.304) 5.745 6.135 ( 0.037 -3.373 -4.627) 5.726 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 1.283 16.373 7.261) 17.957 1.429 ( 2.920 16.992 3.990) 17.697 1.678 ( 2.984 -12.754 6.829) 14.772 1.729 ( -1.522 -13.187 1.691) 13.382 1.972 ( 0.926 6.299 -1.984) 6.669 2.059 ( -0.749 -2.095 -2.323) 3.217 2.118 ( 0.809 0.182 -3.539) 3.635 2.168 ( 0.474 -3.995 -5.116) 6.508 2.263 ( -1.375 5.141 -3.693) 6.478 2.324 ( -1.982 1.679 -0.223) 2.607 2.445 ( -2.845 3.990 0.513) 4.928 2.502 ( -1.633 -0.169 -2.318) 2.840 2.567 ( -0.293 2.065 -1.574) 2.613 2.594 ( -3.706 -1.935 -0.785) 4.254 2.734 ( 1.481 10.657 4.758) 11.764 2.828 ( -3.995 2.114 3.321) 5.609 2.940 ( -5.279 -1.912 -1.563) 5.828 2.966 ( 1.436 0.590 2.792) 3.194 3.054 ( -1.679 -5.053 -0.506) 5.349 3.083 ( 0.379 -10.532 -2.722) 10.885 3.392 ( -2.404 7.945 6.018) 10.253 3.531 ( 3.726 -0.510 3.067) 4.853 3.542 ( 8.943 -0.116 2.318) 9.239 3.630 ( 3.909 -14.770 4.160) 15.835 4.347 ( 0.990 4.404 1.860) 4.882 4.386 ( -2.307 1.540 -0.525) 2.823 4.465 ( -2.119 0.811 0.161) 2.274 4.529 ( 1.460 -6.134 1.361) 6.451 4.565 ( 1.082 4.854 1.083) 5.089 4.621 ( 1.960 0.081 2.237) 2.976 4.819 ( 0.343 2.650 -0.887) 2.816 4.860 ( -0.747 -2.033 0.928) 2.356 4.970 ( -1.192 1.527 -1.986) 2.775 5.001 ( -0.759 0.174 0.248) 0.818 5.101 ( -0.742 3.859 -2.390) 4.599 5.179 ( 0.118 -3.578 -1.632) 3.934 5.251 ( -1.820 0.505 -0.466) 1.945 5.284 ( -0.394 -1.727 0.860) 1.969 5.356 ( 1.314 2.402 -1.065) 2.938 5.402 ( 2.542 -2.451 0.626) 3.586 5.475 ( -1.433 0.261 -2.723) 3.088 5.505 ( -2.926 -2.408 -3.653) 5.263 5.766 ( 0.854 1.486 1.343) 2.177 5.798 ( 0.579 -1.692 1.897) 2.607 5.892 ( -1.073 1.310 -0.602) 1.797 5.912 ( -0.182 -0.588 -0.717) 0.945 6.032 ( -1.016 4.562 -2.372) 5.241 6.103 ( -1.939 -2.573 -4.264) 5.344 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -1.701 14.038 4.162) 14.741 1.533 ( 4.646 11.978 5.255) 13.881 1.654 ( -4.388 -10.844 4.099) 12.396 1.780 ( 4.790 -9.459 5.422) 11.908 1.969 ( -4.616 4.329 3.728) 7.345 2.011 ( -1.416 2.113 -4.611) 5.266 2.106 ( -3.955 2.406 -7.140) 8.510 2.131 ( -0.912 -2.648 -2.453) 3.723 2.250 ( -0.013 3.066 -2.410) 3.900 2.313 ( 0.830 -0.804 0.026) 1.156 2.350 ( -4.018 -0.222 -1.232) 4.209 2.445 ( -3.777 -4.094 -1.725) 5.831 2.529 ( -1.319 2.688 -0.844) 3.111 2.582 ( 1.145 -1.397 -2.314) 2.935 2.737 ( -1.793 3.474 -0.632) 3.960 2.816 ( 0.909 0.876 2.898) 3.161 2.875 ( -0.219 3.143 -0.558) 3.199 3.004 ( 1.214 -2.423 2.983) 4.030 3.055 ( 2.402 -3.357 -2.671) 4.917 3.105 ( 1.560 -5.598 0.597) 5.842 3.382 ( 0.159 9.802 4.540) 10.804 3.552 ( -1.167 -4.594 6.472) 8.022 3.679 ( 5.141 1.522 3.641) 6.481 3.771 ( 8.152 -7.890 0.519) 11.357 4.332 ( -3.065 2.028 -0.516) 3.711 4.342 ( -2.188 0.805 -0.995) 2.535 4.460 ( 2.146 4.167 3.191) 5.670 4.559 ( 0.915 -2.043 1.858) 2.909 4.606 ( 2.861 1.334 0.286) 3.170 4.669 ( 2.642 -1.348 1.197) 3.198 4.821 ( -0.808 0.898 0.238) 1.231 4.844 ( -0.872 -1.594 -0.164) 1.824 4.931 ( -2.406 2.377 -2.334) 4.109 4.983 ( -0.802 0.442 -0.291) 0.961 5.076 ( -0.723 3.719 -1.751) 4.173 5.149 ( -2.790 -3.435 -2.075) 4.888 5.210 ( -2.880 1.389 -1.019) 3.356 5.281 ( -0.999 -3.563 1.353) 3.940 5.387 ( 1.948 4.031 -0.699) 4.531 5.429 ( -1.836 -0.366 -3.607) 4.064 5.443 ( -0.741 -1.212 -0.308) 1.453 5.473 ( 2.256 -4.082 1.467) 4.889 5.759 ( -1.861 1.363 1.575) 2.794 5.789 ( -1.871 -1.631 2.032) 3.208 5.876 ( -0.261 2.373 -1.312) 2.724 5.916 ( 0.735 -1.485 -1.524) 2.251 6.010 ( -0.665 3.039 -2.250) 3.840 6.063 ( -1.124 -2.357 -3.771) 4.587 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 1.085 7.517 2.036) 7.864 1.524 ( -3.272 -5.002 0.862) 6.039 1.666 ( 1.268 8.280 5.961) 10.281 1.822 ( -7.822 9.052 0.949) 12.001 1.868 ( 0.036 -10.423 3.273) 10.925 1.971 ( -4.752 -4.977 -3.390) 7.671 1.987 ( -2.953 5.522 -2.717) 6.826 2.083 ( -2.371 -2.207 1.448) 3.548 2.260 ( 1.557 1.294 -0.980) 2.249 2.316 ( -0.570 -1.124 -1.317) 1.823 2.344 ( 1.941 1.086 -1.713) 2.807 2.417 ( 1.852 -3.921 -4.329) 6.128 2.516 ( -0.184 4.541 -1.149) 4.688 2.603 ( 1.430 -3.888 -2.117) 4.652 2.714 ( -0.281 4.415 0.261) 4.431 2.817 ( 0.059 -4.864 -2.313) 5.386 2.921 ( 3.400 5.203 3.335) 7.054 3.027 ( 1.195 -5.762 0.904) 5.954 3.106 ( 2.317 0.044 0.928) 2.497 3.142 ( 1.828 -3.401 2.738) 4.733 3.394 ( -0.598 7.978 3.714) 8.820 3.531 ( -2.023 -4.329 4.240) 6.388 3.769 ( 3.426 6.538 3.053) 7.987 3.893 ( 4.195 -3.998 -1.147) 5.908 4.276 ( -2.428 1.166 -0.406) 2.724 4.299 ( -1.221 -1.544 0.136) 1.973 4.526 ( 2.358 3.430 3.988) 5.765 4.565 ( 0.007 2.395 2.010) 3.127 4.658 ( 2.175 1.692 -0.159) 2.760 4.727 ( 2.919 -3.394 -0.343) 4.489 4.792 ( -0.733 -0.253 -0.022) 0.776 4.825 ( -1.172 -1.624 -1.494) 2.499 4.873 ( -3.125 3.054 -1.668) 4.677 4.972 ( -0.817 -2.265 -0.596) 2.480 5.074 ( -1.478 -0.198 0.396) 1.543 5.090 ( -0.931 6.011 0.028) 6.083 5.146 ( -2.306 -2.817 -1.339) 3.879 5.236 ( -3.199 -5.473 0.605) 6.369 5.393 ( 0.028 2.379 -1.740) 2.947 5.432 ( 1.446 0.020 -1.181) 1.867 5.447 ( 0.638 1.273 1.099) 1.798 5.514 ( 1.093 -3.853 1.588) 4.309 5.720 ( -1.916 1.479 0.592) 2.492 5.753 ( -1.805 -1.842 0.861) 2.719 5.874 ( 0.276 3.493 -1.473) 3.800 5.925 ( 0.394 -1.507 -1.547) 2.195 5.995 ( -0.496 2.041 -2.325) 3.133 6.046 ( 0.108 -3.432 -3.707) 5.053 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -0.532 3.787 1.176) 4.001 1.513 ( 1.312 -6.689 0.182) 6.819 1.636 ( -4.038 8.364 2.583) 9.640 1.686 ( -4.405 7.472 2.131) 8.932 1.815 ( -4.316 -2.954 -1.187) 5.363 1.842 ( -4.693 -1.509 -6.812) 8.408 2.028 ( 3.235 -1.938 2.104) 4.318 2.098 ( 3.225 -3.271 1.053) 4.713 2.278 ( 0.548 0.962 0.898) 1.426 2.328 ( 1.423 0.068 -0.065) 1.427 2.367 ( 1.058 2.992 -1.926) 3.712 2.452 ( 2.052 -2.999 -3.544) 5.076 2.515 ( 0.288 4.878 -0.689) 4.935 2.617 ( 0.440 -4.312 -2.224) 4.872 2.729 ( 1.466 3.551 1.275) 4.048 2.820 ( 0.910 -4.132 -2.369) 4.850 2.999 ( 3.692 1.927 3.645) 5.535 3.057 ( 1.374 -3.910 1.952) 4.581 3.129 ( -0.414 0.770 2.319) 2.479 3.165 ( -0.696 -2.871 3.354) 4.470 3.370 ( -2.216 6.667 4.350) 8.263 3.501 ( -1.670 -5.508 1.134) 5.866 3.789 ( -2.398 9.808 0.751) 10.125 3.928 ( 0.399 -2.617 -1.781) 3.191 4.256 ( 0.607 1.595 1.369) 2.188 4.310 ( 1.662 -3.414 2.032) 4.307 4.510 ( -2.798 4.907 0.901) 5.720 4.593 ( 0.231 -2.723 2.795) 3.909 4.692 ( 0.534 5.522 0.922) 5.624 4.748 ( 1.388 0.638 -1.521) 2.156 4.782 ( -2.271 2.258 -1.502) 3.537 4.829 ( 0.233 -2.935 -0.140) 2.948 4.841 ( 2.447 0.262 -1.285) 2.776 4.945 ( -0.796 -6.661 -2.983) 7.342 5.033 ( -0.780 5.002 2.539) 5.663 5.088 ( -0.304 1.584 0.196) 1.625 5.157 ( 2.306 -3.379 1.747) 4.448 5.205 ( 0.367 -4.551 1.029) 4.681 5.392 ( -0.087 2.832 -1.520) 3.215 5.439 ( -0.730 -1.208 -0.870) 1.658 5.458 ( 0.527 1.821 0.434) 1.945 5.514 ( -1.262 -3.226 0.877) 3.573 5.703 ( 0.026 1.491 0.022) 1.491 5.734 ( -0.267 -1.725 0.184) 1.756 5.878 ( 0.496 3.807 -1.346) 4.068 5.919 ( -0.598 -0.595 -2.029) 2.197 5.981 ( -0.360 1.873 -2.848) 3.428 6.047 ( 0.709 -4.863 -3.348) 5.946 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -4.493 7.668 1.398) 8.997 1.507 ( -0.276 -6.277 0.231) 6.288 1.558 ( -5.462 9.382 2.504) 11.141 1.707 ( 3.838 7.165 -2.140) 8.406 1.735 ( -3.529 -8.046 -0.050) 8.786 1.834 ( 6.402 -4.474 -5.191) 9.379 2.087 ( 2.986 1.153 -0.442) 3.231 2.167 ( 3.258 -3.676 -1.866) 5.254 2.274 ( -1.674 4.408 -0.335) 4.727 2.349 ( 1.150 1.644 0.394) 2.044 2.394 ( 1.689 0.584 1.254) 2.184 2.474 ( 0.833 -3.439 -0.885) 3.648 2.520 ( 0.467 4.543 -1.775) 4.899 2.621 ( 0.828 -3.877 -2.029) 4.453 2.765 ( 1.684 3.585 3.301) 5.156 2.851 ( 3.121 -3.652 -1.729) 5.106 3.038 ( -3.751 2.735 4.822) 6.693 3.060 ( -0.489 -0.404 2.044) 2.140 3.113 ( -0.748 -0.301 2.103) 2.252 3.143 ( -1.145 -3.624 2.244) 4.413 3.345 ( -1.509 5.649 3.222) 6.676 3.472 ( -1.770 -6.934 0.862) 7.208 3.711 ( -4.770 9.654 1.673) 10.898 3.898 ( -3.564 -7.723 0.516) 8.521 4.299 ( 2.865 2.615 2.728) 4.743 4.347 ( 1.472 -1.827 1.698) 2.896 4.453 ( -2.913 6.405 -0.074) 7.037 4.573 ( -2.426 -5.347 -0.593) 5.901 4.664 ( -2.392 4.688 0.432) 5.281 4.721 ( -2.462 -0.109 0.450) 2.505 4.804 ( 1.581 3.218 0.351) 3.603 4.843 ( 0.921 -1.458 -0.747) 1.879 4.897 ( 4.567 1.262 -1.383) 4.936 4.930 ( 0.084 0.136 -2.319) 2.324 5.086 ( 4.044 -0.709 1.172) 4.269 5.108 ( 3.513 -1.605 0.790) 3.942 5.200 ( 1.360 -1.011 1.557) 2.301 5.238 ( 1.894 -3.092 1.597) 3.962 5.378 ( -0.840 2.170 -1.645) 2.849 5.412 ( -1.360 -0.381 -1.689) 2.202 5.464 ( -0.408 -0.417 0.486) 0.760 5.488 ( -0.653 -1.554 0.443) 1.743 5.712 ( 0.555 1.133 -0.124) 1.267 5.736 ( 0.167 -1.334 0.026) 1.344 5.883 ( 0.159 2.404 -1.294) 2.734 5.904 ( -0.103 0.215 -2.749) 2.759 5.977 ( 0.822 2.676 -3.020) 4.118 6.057 ( 0.977 -5.025 -2.757) 5.814 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -1.581 14.433 1.586) 14.606 1.434 ( -5.746 12.610 2.304) 14.047 1.561 ( 3.678 -11.950 0.498) 12.513 1.659 ( -2.887 -7.947 1.404) 8.571 1.813 ( 6.035 6.187 -3.304) 9.253 1.967 ( 6.685 -8.541 -4.825) 11.870 2.139 ( 1.603 2.204 -2.890) 3.973 2.191 ( -0.040 2.591 -1.364) 2.928 2.236 ( -0.907 2.221 -1.748) 2.969 2.368 ( 0.838 -4.806 0.103) 4.879 2.425 ( 1.129 5.050 2.332) 5.676 2.490 ( 1.352 -2.465 -1.116) 3.025 2.530 ( 1.153 4.804 -2.979) 5.770 2.640 ( 1.116 -4.877 -1.122) 5.128 2.817 ( 3.299 6.749 5.769) 9.472 2.923 ( -4.755 4.814 6.102) 9.111 2.935 ( 2.922 3.143 -0.045) 4.291 3.032 ( -2.132 -0.520 0.652) 2.290 3.108 ( -3.085 -4.071 3.243) 6.051 3.135 ( 1.838 -4.766 -0.679) 5.153 3.316 ( -2.148 2.901 0.772) 3.691 3.425 ( -3.882 -7.780 2.414) 9.024 3.640 ( -3.607 6.358 3.439) 8.078 3.805 ( -6.314 -10.444 3.805) 12.784 4.344 ( -1.084 3.309 1.694) 3.872 4.363 ( 1.927 1.124 1.953) 2.965 4.429 ( 0.676 3.497 -0.882) 3.670 4.519 ( -2.257 -4.912 -0.856) 5.473 4.623 ( -2.077 4.737 0.621) 5.210 4.678 ( -2.402 -0.631 1.681) 2.999 4.816 ( 0.138 1.960 -1.196) 2.300 4.853 ( 0.491 -1.770 -1.032) 2.107 4.955 ( 2.787 3.076 -0.671) 4.205 4.979 ( 2.952 0.374 0.662) 3.048 5.149 ( 2.075 2.793 0.245) 3.488 5.183 ( 1.083 0.076 0.125) 1.093 5.217 ( 2.218 -2.862 0.107) 3.622 5.256 ( -0.563 -3.613 0.234) 3.664 5.373 ( 0.381 0.115 -0.066) 0.403 5.391 ( 0.158 -1.636 -2.309) 2.834 5.463 ( 1.098 1.945 -0.377) 2.265 5.498 ( 1.105 -1.293 -0.629) 1.814 5.711 ( -0.567 0.891 -0.488) 1.164 5.735 ( -0.152 -1.565 -0.330) 1.607 5.888 ( 0.911 1.784 -1.415) 2.452 5.909 ( 0.954 0.197 -1.760) 2.012 6.000 ( 2.069 3.293 -2.434) 4.588 6.077 ( 1.951 -4.174 -2.844) 5.415 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 1.186 17.758 3.852) 18.210 1.363 ( -1.500 16.843 2.320) 17.068 1.604 ( -0.309 -12.875 3.973) 13.478 1.668 ( 3.640 -14.001 -0.466) 14.474 1.904 ( 4.181 7.264 -3.473) 9.073 2.046 ( 2.920 -6.747 -4.009) 8.373 2.111 ( -1.313 2.119 -3.799) 4.544 2.177 ( -1.743 -4.549 -1.844) 5.209 2.257 ( 2.813 7.366 -1.930) 8.118 2.388 ( 0.664 -4.737 -0.897) 4.867 2.443 ( 0.404 8.177 2.050) 8.440 2.515 ( 1.263 -1.771 -1.820) 2.836 2.544 ( 1.115 5.352 -3.871) 6.699 2.649 ( 0.150 -4.114 -1.048) 4.248 2.815 ( -5.677 13.474 8.718) 17.023 2.904 ( 3.083 6.075 7.830) 10.378 2.974 ( -2.654 2.678 1.310) 3.991 3.037 ( -3.563 -3.623 -0.870) 5.155 3.074 ( 7.066 -2.170 2.043) 7.669 3.194 ( 3.148 -8.102 -0.163) 8.694 3.273 ( -1.095 -1.541 -1.401) 2.353 3.336 ( -5.016 -8.339 0.974) 9.780 3.568 ( -5.176 3.644 4.342) 7.676 3.694 ( -5.917 -10.531 5.963) 13.471 4.320 ( -0.625 4.886 0.758) 4.984 4.407 ( 1.578 -2.974 0.936) 3.495 4.441 ( 0.810 4.202 0.197) 4.284 4.506 ( 0.551 -2.592 1.070) 2.858 4.589 ( -1.491 4.119 0.904) 4.472 4.634 ( -2.713 -0.639 1.565) 3.196 4.818 ( 0.460 2.230 -1.346) 2.645 4.861 ( 0.608 -2.141 -0.498) 2.280 4.999 ( 1.178 1.455 0.324) 1.899 5.005 ( -0.090 0.552 0.877) 1.041 5.124 ( -1.977 3.654 -1.847) 4.546 5.198 ( -1.375 -1.819 0.399) 2.315 5.240 ( 1.695 -1.100 -0.984) 2.248 5.271 ( 1.944 -2.882 0.091) 3.478 5.365 ( -0.949 1.650 -0.365) 1.938 5.403 ( -0.181 -1.853 0.090) 1.864 5.490 ( 1.331 1.675 -2.458) 3.259 5.527 ( 2.313 -1.742 -3.178) 4.299 5.706 ( 0.612 1.253 -0.616) 1.525 5.739 ( 0.879 -2.068 -0.303) 2.267 5.904 ( 0.734 1.429 -0.409) 1.658 5.921 ( 0.362 0.088 -0.390) 0.539 6.034 ( 1.766 4.350 -2.148) 5.162 6.117 ( 2.563 -3.701 -3.920) 5.969 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 1.360 0.000 19.033) 19.082 0.910 ( -1.109 0.000 20.545) 20.575 1.548 ( 0.995 0.000 30.288) 30.304 1.711 ( -3.108 0.000 -8.755) 9.290 1.832 ( -0.860 0.000 -3.537) 3.640 2.008 ( 2.366 0.000 4.059) 4.698 2.099 ( -2.847 0.000 2.182) 3.587 2.255 ( 3.966 0.000 2.377) 4.623 2.377 ( 0.378 0.000 -0.463) 0.597 2.392 ( 0.640 0.000 -2.273) 2.361 2.446 ( -1.616 0.000 -0.484) 1.686 2.524 ( -1.696 0.000 -5.655) 5.904 2.623 ( 1.162 0.000 -0.624) 1.319 2.644 ( 2.784 0.000 3.286) 4.306 2.703 ( 1.964 0.000 -4.258) 4.689 2.827 ( -0.245 0.000 -2.792) 2.803 2.958 ( 0.239 0.000 1.709) 1.726 3.083 ( -0.654 0.000 3.370) 3.433 3.090 ( 1.662 0.000 2.955) 3.390 3.100 ( 3.019 0.000 3.511) 4.630 3.372 ( -8.216 0.000 0.119) 8.217 3.599 ( 5.487 0.000 -4.957) 7.394 3.714 ( -3.979 0.000 -10.242) 10.988 3.996 ( -0.462 0.000 -7.418) 7.433 4.224 ( -0.317 0.000 4.313) 4.324 4.262 ( -1.625 0.000 -0.257) 1.645 4.318 ( 4.410 0.000 -1.274) 4.590 4.473 ( -1.427 0.000 2.453) 2.838 4.594 ( -5.326 0.000 4.077) 6.707 4.678 ( 4.108 0.000 -4.259) 5.918 4.762 ( 2.614 0.000 6.146) 6.678 4.825 ( 0.252 0.000 -2.336) 2.350 4.891 ( 2.092 0.000 -2.355) 3.150 5.001 ( 0.352 0.000 0.995) 1.056 5.031 ( -1.094 0.000 0.308) 1.136 5.111 ( -4.272 0.000 -1.829) 4.647 5.185 ( -0.056 0.000 0.886) 0.888 5.314 ( 0.199 0.000 1.359) 1.373 5.346 ( 1.300 0.000 -0.432) 1.369 5.394 ( -1.552 0.000 -4.198) 4.476 5.592 ( 0.744 0.000 2.120) 2.247 5.731 ( 0.101 0.000 0.315) 0.331 5.750 ( 2.307 0.000 1.535) 2.771 5.829 ( -0.852 0.000 -1.817) 2.006 5.843 ( 1.116 0.000 -1.186) 1.628 5.856 ( 1.821 0.000 0.611) 1.920 5.904 ( 2.046 0.000 2.365) 3.127 5.969 ( -4.802 0.000 0.536) 4.832 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 2.885 0.000 15.696) 15.959 1.019 ( 7.546 0.000 17.290) 18.865 1.584 ( -7.329 0.000 -8.000) 10.850 1.725 ( 9.621 0.000 19.735) 21.955 1.837 ( 2.036 0.000 -1.558) 2.563 2.030 ( -0.723 0.000 2.667) 2.763 2.049 ( -2.980 0.000 7.159) 7.755 2.328 ( 2.573 0.000 5.004) 5.627 2.350 ( -2.113 0.000 -2.899) 3.588 2.393 ( 0.089 0.000 -2.128) 2.130 2.414 ( -1.936 0.000 2.958) 3.535 2.518 ( 2.766 0.000 -8.247) 8.698 2.565 ( -6.392 0.000 1.501) 6.566 2.729 ( 4.638 0.000 4.032) 6.146 2.753 ( 2.006 0.000 -5.332) 5.697 2.818 ( -0.478 0.000 -1.421) 1.499 2.957 ( -0.179 0.000 -1.141) 1.155 3.058 ( -3.013 0.000 6.095) 6.799 3.144 ( 2.453 0.000 3.091) 3.946 3.159 ( 3.085 0.000 0.010) 3.085 3.218 ( -7.451 0.000 0.303) 7.457 3.626 ( -1.990 0.000 -3.011) 3.609 3.645 ( 0.273 0.000 -13.712) 13.715 3.937 ( -3.670 0.000 -6.826) 7.750 4.229 ( -0.288 0.000 4.298) 4.307 4.254 ( 0.778 0.000 -0.301) 0.834 4.378 ( 0.927 0.000 -0.251) 0.960 4.463 ( 0.042 0.000 1.187) 1.187 4.496 ( -4.256 0.000 3.532) 5.531 4.757 ( 4.818 0.000 -3.192) 5.779 4.812 ( 1.070 0.000 6.829) 6.912 4.859 ( 3.279 0.000 -2.904) 4.380 4.891 ( -1.735 0.000 -3.560) 3.960 4.969 ( -2.408 0.000 2.058) 3.168 5.007 ( -1.378 0.000 -0.263) 1.403 5.063 ( 0.095 0.000 -0.363) 0.375 5.194 ( 0.374 0.000 1.934) 1.970 5.303 ( -3.887 0.000 -3.571) 5.278 5.362 ( 3.024 0.000 2.778) 4.106 5.405 ( 2.035 0.000 -1.719) 2.664 5.603 ( -0.181 0.000 2.127) 2.135 5.722 ( -0.984 0.000 -0.283) 1.024 5.799 ( -1.705 0.000 -1.262) 2.121 5.800 ( 2.361 0.000 0.987) 2.559 5.865 ( 1.227 0.000 -0.053) 1.228 5.871 ( -2.610 0.000 0.717) 2.707 5.921 ( 2.351 0.000 -3.843) 4.505 5.931 ( 0.232 0.000 2.571) 2.581 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 9.869 0.000 7.622) 12.470 1.222 ( 9.259 0.000 10.328) 13.871 1.440 ( -5.361 0.000 -4.406) 6.939 1.834 ( 0.700 0.000 -6.741) 6.777 1.897 ( -0.045 0.000 5.785) 5.785 1.995 ( -3.973 0.000 3.986) 5.628 2.109 ( 8.338 0.000 20.777) 22.388 2.302 ( -2.073 0.000 -4.159) 4.647 2.304 ( -7.592 0.000 0.740) 7.628 2.389 ( -0.055 0.000 -1.713) 1.714 2.390 ( -1.252 0.000 4.591) 4.758 2.491 ( 1.056 0.000 6.961) 7.041 2.583 ( 5.388 0.000 -7.251) 9.033 2.736 ( -2.894 0.000 -2.273) 3.680 2.776 ( -4.097 0.000 2.029) 4.572 2.822 ( 3.817 0.000 5.791) 6.936 2.952 ( 0.499 0.000 -3.930) 3.962 3.002 ( -4.344 0.000 5.607) 7.093 3.104 ( -3.725 0.000 -3.027) 4.799 3.177 ( 0.274 0.000 0.436) 0.515 3.229 ( 4.527 0.000 -0.598) 4.566 3.517 ( -8.278 0.000 -1.695) 8.450 3.675 ( 5.468 0.000 -14.798) 15.776 3.842 ( -4.895 0.000 -5.342) 7.246 4.222 ( -1.832 0.000 3.979) 4.381 4.278 ( 1.309 0.000 0.775) 1.521 4.342 ( -2.752 0.000 5.365) 6.030 4.487 ( 1.582 0.000 -1.176) 1.971 4.489 ( 2.873 0.000 -1.355) 3.176 4.815 ( -3.084 0.000 6.880) 7.539 4.836 ( 3.852 0.000 -2.458) 4.570 4.839 ( -2.190 0.000 -4.664) 5.152 4.897 ( 0.749 0.000 1.958) 2.097 4.971 ( -2.185 0.000 -2.392) 3.240 4.976 ( 3.410 0.000 -2.723) 4.364 5.091 ( 2.043 0.000 1.250) 2.395 5.204 ( 0.238 0.000 2.134) 2.147 5.227 ( -2.953 0.000 -2.608) 3.940 5.404 ( 0.468 0.000 3.513) 3.544 5.433 ( 1.189 0.000 -1.302) 1.763 5.594 ( -1.101 0.000 2.003) 2.285 5.696 ( -1.555 0.000 -0.444) 1.617 5.767 ( -1.542 0.000 -0.805) 1.739 5.811 ( -2.843 0.000 1.070) 3.038 5.836 ( 1.257 0.000 0.133) 1.264 5.883 ( 0.575 0.000 -0.493) 0.757 5.923 ( -1.555 0.000 2.637) 3.061 5.989 ( 5.104 0.000 -7.234) 8.853 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 11.670 0.000 1.858) 11.817 1.305 ( -1.483 0.000 -2.088) 2.561 1.443 ( 4.033 0.000 7.976) 8.938 1.765 ( -4.991 0.000 -1.193) 5.131 1.890 ( -7.009 0.000 4.532) 8.347 1.913 ( 0.849 0.000 2.071) 2.238 2.180 ( -3.153 0.000 -0.267) 3.165 2.245 ( -1.787 0.000 -2.890) 3.398 2.326 ( 6.804 0.000 9.317) 11.537 2.384 ( -0.144 0.000 -0.635) 0.651 2.400 ( 2.037 0.000 6.515) 6.826 2.566 ( 1.911 0.000 5.101) 5.448 2.646 ( -4.757 0.000 4.179) 6.332 2.665 ( 3.600 0.000 -3.576) 5.074 2.693 ( -4.609 0.000 7.132) 8.491 2.883 ( 0.488 0.000 7.743) 7.758 2.926 ( -3.514 0.000 -0.016) 3.514 2.962 ( 0.692 0.000 -6.659) 6.694 3.067 ( 0.188 0.000 -5.915) 5.918 3.153 ( -1.449 0.000 -1.934) 2.417 3.329 ( 5.770 0.000 0.482) 5.790 3.356 ( -6.800 0.000 -1.464) 6.956 3.736 ( -4.994 0.000 -3.624) 6.171 3.756 ( 5.447 0.000 -12.277) 13.431 4.178 ( -3.004 0.000 4.567) 5.466 4.298 ( 0.508 0.000 1.962) 2.027 4.342 ( 1.096 0.000 5.076) 5.193 4.517 ( 1.636 0.000 -0.431) 1.692 4.557 ( 4.354 0.000 -4.088) 5.973 4.730 ( -6.542 0.000 4.452) 7.913 4.794 ( -1.474 0.000 -5.571) 5.763 4.880 ( 1.001 0.000 -2.405) 2.605 4.917 ( 0.408 0.000 4.443) 4.462 4.926 ( -1.029 0.000 -4.015) 4.145 5.033 ( 2.405 0.000 -4.137) 4.785 5.132 ( 1.713 0.000 2.253) 2.830 5.190 ( -0.414 0.000 -1.019) 1.100 5.218 ( 1.075 0.000 1.303) 1.689 5.399 ( -1.392 0.000 3.169) 3.461 5.450 ( 0.965 0.000 -0.665) 1.172 5.573 ( -1.522 0.000 2.297) 2.755 5.667 ( -1.388 0.000 -0.164) 1.398 5.726 ( -2.279 0.000 -0.141) 2.283 5.790 ( 0.148 0.000 0.583) 0.602 5.846 ( -0.156 0.000 -0.191) 0.247 5.879 ( -0.869 0.000 -2.903) 3.031 5.890 ( -2.234 0.000 3.044) 3.776 6.068 ( 4.647 0.000 -7.427) 8.760 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -2.469 0.000 1.511) 2.895 1.343 ( -4.976 0.000 0.308) 4.985 1.472 ( -2.390 0.000 5.066) 5.601 1.752 ( 5.230 0.000 -0.111) 5.231 1.837 ( 1.414 0.000 2.302) 2.701 1.925 ( -0.001 0.000 6.918) 6.918 2.168 ( -0.351 0.000 2.828) 2.849 2.204 ( -1.325 0.000 -3.132) 3.401 2.382 ( -1.089 0.000 3.474) 3.640 2.399 ( 2.457 0.000 -0.821) 2.590 2.474 ( -4.855 0.000 1.394) 5.051 2.481 ( 0.900 0.000 4.721) 4.807 2.616 ( -1.718 0.000 2.727) 3.223 2.666 ( -3.880 0.000 -1.150) 4.047 2.737 ( 4.798 0.000 9.130) 10.314 2.845 ( -3.916 0.000 8.319) 9.194 2.875 ( -1.779 0.000 -1.283) 2.194 2.938 ( -0.988 0.000 1.325) 1.653 3.070 ( 1.260 0.000 -6.226) 6.353 3.160 ( -0.651 0.000 -3.826) 3.881 3.309 ( 4.709 0.000 -6.974) 8.414 3.438 ( 5.200 0.000 1.615) 5.445 3.649 ( -2.944 0.000 -3.867) 4.860 3.817 ( 3.450 0.000 -9.368) 9.983 4.145 ( -1.558 0.000 5.254) 5.480 4.310 ( 0.400 0.000 2.091) 2.129 4.392 ( 2.807 0.000 5.481) 6.158 4.546 ( 1.376 0.000 -0.076) 1.378 4.604 ( -7.111 0.000 3.139) 7.773 4.607 ( 1.477 0.000 -5.426) 5.623 4.750 ( -2.056 0.000 -6.847) 7.148 4.889 ( 2.055 0.000 -3.191) 3.796 4.914 ( -0.645 0.000 -2.307) 2.396 4.926 ( -0.526 0.000 4.715) 4.745 5.038 ( -0.617 0.000 -4.142) 4.188 5.159 ( 0.502 0.000 3.366) 3.403 5.209 ( 2.377 0.000 -1.056) 2.601 5.243 ( 0.790 0.000 -0.411) 0.890 5.378 ( -1.183 0.000 2.863) 3.098 5.468 ( 0.961 0.000 0.043) 0.962 5.552 ( -1.128 0.000 3.066) 3.267 5.651 ( -0.104 0.000 0.372) 0.386 5.701 ( -0.113 0.000 0.080) 0.139 5.802 ( 0.739 0.000 0.685) 1.008 5.827 ( -2.035 0.000 0.710) 2.155 5.848 ( -1.292 0.000 -0.883) 1.565 5.854 ( -2.038 0.000 -2.272) 3.052 6.127 ( 2.969 0.000 -6.534) 7.177 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -14.220 0.000 1.886) 14.345 1.239 ( -0.910 0.000 2.437) 2.601 1.423 ( -1.999 0.000 2.840) 3.473 1.790 ( -3.553 0.000 3.725) 5.148 1.911 ( 4.325 0.000 3.420) 5.514 2.016 ( 6.366 0.000 10.976) 12.689 2.115 ( -5.007 0.000 4.754) 6.905 2.183 ( -0.406 0.000 -2.659) 2.690 2.351 ( -0.771 0.000 1.776) 1.937 2.359 ( -11.498 0.000 1.453) 11.589 2.446 ( 2.814 0.000 -3.306) 4.342 2.498 ( 3.740 0.000 -0.699) 3.805 2.619 ( -0.759 0.000 5.750) 5.800 2.629 ( 3.362 0.000 3.490) 4.845 2.792 ( -0.625 0.000 -2.200) 2.287 2.823 ( -1.725 0.000 6.909) 7.121 2.879 ( 1.618 0.000 8.115) 8.275 2.899 ( -4.084 0.000 -1.734) 4.437 3.084 ( 1.486 0.000 -5.649) 5.841 3.148 ( 3.496 0.000 -6.410) 7.301 3.384 ( -0.054 0.000 -5.211) 5.211 3.522 ( 2.977 0.000 2.140) 3.666 3.654 ( 6.669 0.000 -8.635) 10.910 3.850 ( 1.923 0.000 -7.489) 7.732 4.142 ( -0.041 0.000 6.015) 6.015 4.322 ( 0.330 0.000 1.878) 1.907 4.422 ( -4.244 0.000 5.282) 6.776 4.522 ( 1.819 0.000 2.035) 2.730 4.581 ( 1.718 0.000 1.429) 2.235 4.595 ( -1.143 0.000 -4.970) 5.100 4.691 ( -2.289 0.000 -7.223) 7.577 4.881 ( -2.139 0.000 -1.429) 2.573 4.916 ( -1.466 0.000 5.038) 5.247 4.948 ( 4.121 0.000 -2.297) 4.718 5.008 ( -1.447 0.000 -4.405) 4.637 5.169 ( -0.205 0.000 3.457) 3.464 5.232 ( -1.465 0.000 -1.316) 1.969 5.266 ( 3.834 0.000 -1.642) 4.171 5.372 ( -0.101 0.000 2.619) 2.621 5.478 ( -0.395 0.000 0.803) 0.895 5.547 ( -0.146 0.000 3.308) 3.312 5.668 ( 1.655 0.000 1.064) 1.968 5.722 ( 2.104 0.000 0.589) 2.185 5.783 ( -2.447 0.000 0.820) 2.581 5.808 ( -1.780 0.000 -3.511) 3.937 5.816 ( 0.567 0.000 0.959) 1.114 5.828 ( -0.519 0.000 -1.531) 1.617 6.150 ( 0.788 0.000 -5.444) 5.501 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -12.274 0.000 7.018) 14.139 1.151 ( -9.978 0.000 11.312) 15.084 1.502 ( 10.212 0.000 -5.381) 11.543 1.692 ( -8.054 0.000 14.742) 16.798 1.953 ( -1.218 0.000 6.545) 6.657 2.031 ( -8.052 0.000 5.243) 9.609 2.097 ( 3.126 0.000 0.546) 3.173 2.174 ( -1.163 0.000 0.159) 1.174 2.252 ( 2.220 0.000 5.204) 5.658 2.358 ( 0.985 0.000 -0.575) 1.141 2.478 ( 1.088 0.000 -3.494) 3.659 2.541 ( 1.500 0.000 -1.181) 1.909 2.616 ( -1.429 0.000 4.731) 4.942 2.732 ( 2.195 0.000 -1.973) 2.951 2.753 ( -6.737 0.000 1.535) 6.909 2.777 ( 2.838 0.000 1.966) 3.453 2.853 ( 1.527 0.000 -0.570) 1.630 2.920 ( 1.105 0.000 8.336) 8.409 3.097 ( 0.957 0.000 -4.841) 4.935 3.242 ( 1.018 0.000 -4.169) 4.292 3.311 ( 1.255 0.000 -8.029) 8.126 3.551 ( -0.562 0.000 1.869) 1.951 3.818 ( 10.530 0.000 -9.934) 14.476 3.854 ( -0.109 0.000 -7.215) 7.216 4.169 ( 1.511 0.000 6.050) 6.236 4.321 ( -5.403 0.000 3.039) 6.199 4.326 ( -0.502 0.000 1.647) 1.722 4.552 ( -2.430 0.000 -1.999) 3.146 4.605 ( 4.049 0.000 4.169) 5.811 4.624 ( 2.424 0.000 2.188) 3.265 4.642 ( -1.084 0.000 -6.633) 6.721 4.845 ( -0.815 0.000 -1.981) 2.142 4.903 ( -0.663 0.000 4.159) 4.211 4.960 ( -2.679 0.000 -3.971) 4.790 5.015 ( 2.923 0.000 -0.978) 3.083 5.171 ( 0.101 0.000 1.851) 1.854 5.201 ( -1.222 0.000 -0.570) 1.348 5.336 ( 3.285 0.000 -1.880) 3.785 5.376 ( -0.281 0.000 1.028) 1.066 5.445 ( -3.061 0.000 0.913) 3.194 5.557 ( 0.383 0.000 2.482) 2.512 5.701 ( 1.111 0.000 1.138) 1.590 5.745 ( -1.631 0.000 -1.721) 2.371 5.770 ( 2.313 0.000 2.131) 3.145 5.795 ( 1.449 0.000 0.389) 1.500 5.823 ( 0.362 0.000 -2.274) 2.303 5.829 ( 0.648 0.000 0.738) 0.982 6.131 ( -1.788 0.000 -4.298) 4.655 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -2.389 0.000 15.596) 15.778 0.979 ( -9.740 0.000 17.816) 20.305 1.571 ( -8.407 0.000 26.806) 28.093 1.688 ( 8.201 0.000 -8.902) 12.104 1.892 ( -5.375 0.000 -0.448) 5.393 1.954 ( 0.848 0.000 5.970) 6.030 2.143 ( -2.047 0.000 0.256) 2.063 2.175 ( 4.234 0.000 0.157) 4.237 2.330 ( 3.573 0.000 4.022) 5.379 2.378 ( 1.203 0.000 -1.775) 2.144 2.473 ( -0.749 0.000 -2.603) 2.709 2.572 ( 2.600 0.000 -1.824) 3.176 2.580 ( -2.781 0.000 0.494) 2.825 2.645 ( -3.693 0.000 0.005) 3.693 2.713 ( -1.145 0.000 -1.911) 2.228 2.833 ( 0.670 0.000 -1.760) 1.883 2.915 ( 3.590 0.000 2.931) 4.635 3.000 ( 4.880 0.000 10.226) 11.331 3.097 ( 0.004 0.000 -3.905) 3.905 3.126 ( -5.830 0.000 -1.075) 5.928 3.460 ( 9.882 0.000 -7.417) 12.356 3.501 ( -5.040 0.000 0.925) 5.124 3.807 ( -3.113 0.000 -8.209) 8.780 3.963 ( 6.105 0.000 -8.846) 10.748 4.219 ( 1.561 0.000 4.575) 4.834 4.258 ( -0.646 0.000 2.006) 2.107 4.303 ( -2.142 0.000 0.590) 2.222 4.504 ( -2.367 0.000 1.905) 3.038 4.632 ( 1.611 0.000 -5.800) 6.019 4.646 ( -0.491 0.000 1.570) 1.644 4.691 ( 3.225 0.000 6.903) 7.619 4.852 ( 1.945 0.000 -2.486) 3.156 4.868 ( -3.423 0.000 -3.411) 4.832 4.951 ( 2.731 0.000 2.336) 3.594 5.042 ( 0.071 0.000 0.354) 0.361 5.175 ( -0.862 0.000 -1.108) 1.404 5.188 ( -0.229 0.000 0.209) 0.310 5.340 ( -1.733 0.000 0.161) 1.741 5.350 ( -2.586 0.000 -0.646) 2.665 5.416 ( 0.300 0.000 -2.662) 2.679 5.572 ( 0.771 0.000 1.993) 2.137 5.720 ( 0.916 0.000 0.529) 1.058 5.723 ( -0.126 0.000 0.508) 0.524 5.814 ( 1.826 0.000 2.562) 3.146 5.829 ( 0.838 0.000 -2.267) 2.417 5.841 ( 0.326 0.000 -0.110) 0.344 5.849 ( 3.073 0.000 1.809) 3.566 6.063 ( -4.468 0.000 -2.147) 4.957 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 1.382 10.144 16.669) 19.561 1.004 ( 0.191 9.123 16.732) 19.058 1.643 ( 0.420 5.927 10.047) 11.673 1.756 ( -0.855 6.612 2.049) 6.975 1.891 ( -0.543 5.743 -2.278) 6.202 2.032 ( 1.429 3.045 5.724) 6.640 2.102 ( -2.812 0.214 1.510) 3.199 2.189 ( 3.980 -6.733 2.372) 8.173 2.304 ( 0.352 -6.516 0.177) 6.528 2.362 ( -0.846 -3.922 -3.748) 5.491 2.423 ( -0.678 -2.091 -2.182) 3.098 2.469 ( -0.421 -2.012 0.108) 2.058 2.553 ( 0.387 -2.795 -0.252) 2.832 2.689 ( 1.178 0.579 2.178) 2.543 2.786 ( 0.816 3.392 -6.243) 7.152 2.831 ( -1.300 2.250 0.373) 2.625 2.973 ( 1.352 -3.066 5.613) 6.537 2.986 ( 1.730 1.572 0.518) 2.394 3.091 ( 0.195 -0.062 -2.398) 2.407 3.231 ( 0.431 4.895 3.193) 5.860 3.363 ( -4.133 0.800 3.500) 5.475 3.566 ( 2.362 -3.494 -3.880) 5.731 3.638 ( -4.236 -6.890 -7.173) 10.811 4.006 ( 1.441 -0.385 -5.842) 6.030 4.224 ( 0.594 2.720 -0.615) 2.851 4.257 ( -0.782 1.360 0.083) 1.571 4.350 ( 1.468 1.845 1.403) 2.744 4.533 ( -4.039 2.065 3.432) 5.688 4.618 ( -0.295 3.583 4.001) 5.379 4.687 ( 3.386 -3.223 -0.346) 4.688 4.730 ( 1.185 -1.700 1.639) 2.642 4.862 ( -0.524 5.682 -1.937) 6.025 4.913 ( 1.356 1.083 -3.861) 4.233 4.993 ( -1.380 -0.485 0.578) 1.573 5.056 ( 0.960 1.840 1.337) 2.469 5.117 ( -3.317 1.358 -1.201) 3.781 5.204 ( -0.351 1.955 -0.241) 2.001 5.294 ( 1.641 -1.009 -0.156) 1.932 5.350 ( -1.141 -0.594 -0.363) 1.337 5.391 ( -0.588 -0.728 -4.862) 4.952 5.564 ( 0.661 -2.935 2.111) 3.675 5.661 ( 1.193 -6.265 2.700) 6.926 5.731 ( 1.874 -1.445 0.927) 2.541 5.788 ( 0.264 -0.518 -2.965) 3.022 5.854 ( 0.064 1.407 -0.303) 1.441 5.880 ( 2.114 0.584 2.627) 3.422 5.943 ( 0.105 1.555 -1.044) 1.876 6.006 ( -3.026 3.302 -1.710) 4.794 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 2.076 9.675 13.320) 16.593 1.102 ( 6.385 8.146 14.518) 17.830 1.617 ( -4.323 3.575 -7.110) 9.057 1.808 ( 4.403 6.093 5.451) 9.285 1.907 ( 2.369 7.162 4.862) 8.975 2.026 ( -3.242 0.505 3.183) 4.571 2.074 ( 0.185 2.242 7.777) 8.096 2.267 ( 2.382 -5.555 4.126) 7.318 2.305 ( -0.694 -4.097 -0.324) 4.168 2.342 ( 0.624 -7.489 -2.956) 8.075 2.399 ( -1.332 -1.246 -1.209) 2.188 2.478 ( 1.743 -0.859 -2.714) 3.338 2.526 ( -3.589 -2.556 -0.902) 4.497 2.737 ( 2.210 0.500 4.661) 5.182 2.762 ( -1.341 -2.293 -2.043) 3.352 2.814 ( -1.038 0.464 -0.309) 1.178 2.986 ( -0.382 0.363 -0.185) 0.559 3.007 ( -0.686 0.569 1.555) 1.792 3.126 ( 3.114 -1.164 -0.387) 3.347 3.190 ( -3.280 -0.207 -1.512) 3.618 3.291 ( -4.630 5.897 6.898) 10.188 3.573 ( 1.068 -4.050 -7.172) 8.305 3.599 ( 0.470 -3.312 -5.472) 6.414 3.982 ( -2.719 2.517 -5.340) 6.499 4.232 ( 0.514 2.811 0.218) 2.866 4.272 ( 1.875 0.769 0.198) 2.036 4.389 ( 1.834 -0.997 -0.747) 2.217 4.451 ( -4.499 3.278 4.590) 7.215 4.611 ( -0.894 8.245 2.289) 8.603 4.739 ( 0.569 -5.721 6.617) 8.765 4.771 ( 3.983 -3.295 -3.739) 6.380 4.866 ( 0.863 3.803 -1.393) 4.141 4.908 ( -0.993 0.581 -4.119) 4.276 4.957 ( -1.471 0.066 1.207) 1.904 5.039 ( -1.981 -0.064 0.740) 2.115 5.084 ( -0.140 4.064 -0.853) 4.155 5.209 ( 0.459 1.616 1.267) 2.104 5.293 ( -3.364 -1.221 -2.942) 4.633 5.356 ( 2.918 -0.048 1.497) 3.280 5.396 ( 1.382 -1.799 -3.074) 3.821 5.577 ( 0.011 -2.647 2.352) 3.541 5.684 ( 0.622 -5.557 1.431) 5.772 5.750 ( -0.246 -0.843 -0.146) 0.890 5.807 ( 2.454 -0.023 -2.209) 3.302 5.844 ( -1.260 0.607 -0.477) 1.477 5.912 ( -0.469 0.964 2.902) 3.094 5.918 ( -0.329 -0.014 -0.518) 0.613 5.973 ( -0.151 3.187 -3.459) 4.706 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 7.003 5.802 6.875) 11.401 1.283 ( 8.839 6.055 10.140) 14.751 1.505 ( -4.924 6.625 -5.309) 9.814 1.852 ( -0.315 1.798 -5.873) 6.150 1.930 ( -2.267 1.238 3.860) 4.645 1.970 ( -2.680 0.036 5.340) 5.975 2.156 ( 2.771 1.651 12.697) 13.101 2.247 ( -3.098 -4.318 -1.319) 5.476 2.286 ( -0.483 0.554 1.351) 1.538 2.381 ( -0.149 -1.608 -0.577) 1.715 2.388 ( 3.367 -5.043 3.273) 6.891 2.452 ( -2.313 -0.727 2.594) 3.551 2.531 ( 4.811 -2.970 -5.306) 7.754 2.691 ( -5.368 -4.726 1.626) 7.334 2.755 ( -3.642 -2.058 2.347) 4.796 2.835 ( 3.779 1.281 5.545) 6.831 2.953 ( -3.065 -1.166 -1.000) 3.428 2.989 ( 0.285 1.215 -3.476) 3.693 3.118 ( -2.996 1.979 -1.134) 3.766 3.209 ( 4.501 -1.013 -0.668) 4.661 3.233 ( -1.591 1.245 2.959) 3.583 3.534 ( -5.205 2.752 0.709) 5.930 3.649 ( 6.202 -0.723 -11.261) 12.877 3.892 ( -5.170 3.336 -4.416) 7.574 4.239 ( -0.539 2.154 1.365) 2.606 4.301 ( 0.391 2.078 1.843) 2.805 4.378 ( -0.586 0.222 3.593) 3.648 4.446 ( 2.013 3.119 -1.456) 3.988 4.605 ( 0.098 7.297 0.191) 7.300 4.748 ( -1.233 -5.673 6.155) 8.461 4.838 ( 2.671 -2.673 -1.895) 4.228 4.868 ( -2.617 0.590 -1.162) 2.923 4.871 ( 1.560 2.162 -3.497) 4.397 4.962 ( 1.082 -0.377 -0.285) 1.181 5.002 ( -1.956 -0.225 -0.672) 2.080 5.095 ( 1.221 1.669 0.004) 2.068 5.220 ( 0.312 1.615 1.210) 2.042 5.228 ( -2.171 -0.132 -2.383) 3.226 5.389 ( 0.287 -1.133 1.321) 1.764 5.421 ( 1.307 -1.673 -0.492) 2.179 5.573 ( -0.939 -2.066 2.392) 3.297 5.688 ( -0.350 -3.128 0.343) 3.166 5.736 ( -0.961 -0.918 0.257) 1.354 5.793 ( -3.449 0.028 0.180) 3.454 5.850 ( 1.973 0.492 -2.149) 2.959 5.910 ( 0.236 1.744 0.511) 1.833 5.913 ( -1.738 -1.015 1.872) 2.748 5.987 ( 3.139 -0.201 -7.035) 7.706 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 8.908 1.615 1.148) 9.126 1.399 ( -0.420 7.819 -0.362) 7.839 1.471 ( 3.328 2.911 6.361) 7.747 1.773 ( -5.655 0.834 -1.103) 5.822 1.856 ( -4.909 -2.394 4.334) 6.973 1.964 ( -0.286 4.372 1.734) 4.712 2.103 ( -3.316 -5.236 2.549) 6.702 2.215 ( -1.669 -3.274 -2.312) 4.342 2.365 ( 3.423 2.713 5.045) 6.673 2.378 ( 0.729 0.200 -0.697) 1.028 2.434 ( 1.422 0.521 2.129) 2.612 2.471 ( 0.013 -8.272 4.884) 9.606 2.569 ( -5.091 -6.482 4.625) 9.451 2.636 ( 6.265 -3.242 -3.930) 8.075 2.683 ( -3.930 -0.607 4.551) 6.043 2.860 ( -3.027 -3.165 -3.432) 5.565 2.942 ( 2.223 4.517 9.203) 10.490 2.995 ( 0.811 1.764 -5.355) 5.696 3.082 ( 0.908 2.563 -5.018) 5.707 3.229 ( -0.095 3.142 -1.043) 3.312 3.308 ( 5.579 -1.493 1.562) 5.983 3.407 ( -7.429 6.167 2.361) 9.940 3.720 ( 1.053 1.107 -7.837) 7.985 3.803 ( -1.071 2.152 -4.039) 4.700 4.211 ( -2.117 3.305 2.726) 4.779 4.319 ( 1.225 1.409 2.146) 2.845 4.394 ( 0.537 4.400 3.767) 5.817 4.489 ( 2.692 0.044 -1.225) 2.958 4.614 ( 0.755 3.774 -1.875) 4.281 4.710 ( -3.945 -1.796 4.076) 5.950 4.802 ( -2.661 0.406 -4.222) 5.007 4.861 ( 0.688 -0.851 -0.890) 1.411 4.918 ( 1.465 0.246 -2.447) 2.862 4.955 ( -1.812 0.918 1.481) 2.514 4.993 ( 2.414 -3.258 -3.645) 5.453 5.121 ( 1.074 -0.738 1.749) 2.181 5.202 ( 0.034 0.494 -1.190) 1.289 5.237 ( 1.071 1.866 0.403) 2.189 5.384 ( -1.063 -1.145 2.563) 3.002 5.439 ( 0.940 -1.410 -0.140) 1.700 5.554 ( -1.476 -1.615 2.331) 3.197 5.674 ( -1.011 0.038 -0.245) 1.041 5.725 ( -1.075 -4.244 1.731) 4.708 5.735 ( -1.551 0.963 -0.552) 1.907 5.864 ( -1.252 -0.040 -2.118) 2.461 5.875 ( -0.978 -0.635 0.549) 1.289 5.903 ( -1.070 1.636 -0.220) 1.968 6.048 ( 4.341 -2.022 -7.327) 8.753 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -1.660 4.704 1.480) 5.204 1.363 ( -5.139 2.624 0.642) 5.805 1.517 ( -2.376 3.910 3.929) 6.031 1.740 ( 5.881 -1.716 -0.199) 6.129 1.831 ( 0.388 -1.054 4.881) 5.008 1.924 ( -3.273 -0.899 4.155) 5.365 2.114 ( 1.948 -2.479 4.618) 5.591 2.175 ( -1.694 -2.176 -1.646) 3.211 2.360 ( -6.001 -4.145 2.217) 7.623 2.389 ( 1.177 -0.252 0.153) 1.213 2.422 ( 0.526 -3.679 -1.193) 3.903 2.462 ( 0.212 -1.777 0.193) 1.800 2.577 ( 1.349 -4.378 3.830) 5.971 2.634 ( -2.862 0.112 4.119) 5.017 2.736 ( 4.109 -1.289 1.044) 4.431 2.808 ( -0.935 -1.728 -3.555) 4.062 2.973 ( 0.519 2.230 0.446) 2.332 3.016 ( 0.789 4.234 2.657) 5.061 3.096 ( -0.598 7.195 -2.471) 7.631 3.188 ( -3.542 3.354 0.678) 4.925 3.338 ( 1.464 2.697 -3.097) 4.360 3.420 ( 5.574 -1.220 2.275) 6.143 3.665 ( -2.682 1.962 -4.469) 5.569 3.835 ( 3.165 1.393 -4.895) 5.993 4.187 ( -1.033 4.173 3.149) 5.329 4.341 ( 0.270 2.198 1.264) 2.550 4.419 ( 1.412 2.514 6.033) 6.687 4.533 ( 1.982 0.021 -0.270) 2.001 4.598 ( -3.028 0.682 0.501) 3.143 4.644 ( -1.976 2.379 -2.255) 3.828 4.753 ( -1.645 -0.109 -5.762) 5.993 4.882 ( 2.299 -0.553 -2.284) 3.287 4.904 ( -1.769 -1.122 -1.313) 2.473 4.926 ( -1.823 -0.431 3.651) 4.103 5.042 ( 2.503 0.584 -5.594) 6.156 5.144 ( 0.997 -1.658 3.196) 3.736 5.215 ( 1.315 0.831 0.396) 1.605 5.254 ( 0.452 0.627 -1.449) 1.642 5.367 ( -1.111 -0.942 2.946) 3.286 5.461 ( 1.211 -0.783 0.552) 1.544 5.534 ( -0.954 -1.600 2.777) 3.344 5.660 ( -0.164 0.783 0.270) 0.844 5.695 ( -1.190 -2.698 0.193) 2.955 5.740 ( 0.659 -1.318 1.216) 1.911 5.820 ( -1.885 -1.626 -0.911) 2.651 5.856 ( -2.051 0.210 -2.077) 2.927 5.880 ( -0.604 1.751 -1.551) 2.416 6.105 ( 2.991 -2.237 -6.231) 7.265 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -12.483 3.832 2.404) 13.277 1.310 ( -0.548 6.785 1.560) 6.983 1.450 ( -2.820 2.668 3.310) 5.102 1.760 ( -5.654 -3.366 7.318) 9.842 1.894 ( 4.388 -1.304 3.091) 5.524 1.984 ( 6.852 -3.595 2.787) 8.224 2.107 ( -2.094 0.021 4.659) 5.108 2.186 ( 1.749 1.076 -0.485) 2.110 2.280 ( -2.873 -4.746 1.218) 5.680 2.368 ( -4.066 -2.767 -0.592) 4.954 2.440 ( 1.443 -0.347 -3.339) 3.654 2.482 ( 3.064 -2.394 -0.715) 3.953 2.587 ( -1.763 -1.108 3.374) 3.965 2.621 ( 2.829 -0.243 3.613) 4.595 2.787 ( -1.179 -1.460 -1.666) 2.509 2.803 ( 2.209 -0.883 1.955) 3.079 2.933 ( -6.619 6.625 6.271) 11.271 2.997 ( -2.491 6.068 2.098) 6.886 3.072 ( 1.528 -0.195 -4.275) 4.544 3.201 ( 4.486 3.604 -3.325) 6.645 3.361 ( -0.734 -1.615 -3.787) 4.182 3.514 ( 3.081 -0.509 1.779) 3.594 3.647 ( 3.055 0.226 -6.547) 7.228 3.884 ( 3.035 2.786 -4.042) 5.772 4.184 ( -0.107 4.416 3.757) 5.799 4.328 ( -1.696 0.981 1.750) 2.627 4.451 ( -1.350 1.881 6.140) 6.562 4.542 ( 0.455 0.483 0.784) 1.027 4.583 ( 1.549 1.926 0.144) 2.476 4.612 ( -0.541 1.802 -2.862) 3.425 4.713 ( -1.070 1.564 -6.349) 6.626 4.852 ( -2.962 -1.657 -0.851) 3.499 4.907 ( -1.025 -1.121 3.839) 4.128 4.939 ( 3.797 -0.824 -1.242) 4.079 5.047 ( -0.641 2.725 -4.669) 5.444 5.170 ( 0.965 -0.050 1.303) 1.623 5.226 ( -1.337 0.076 -0.409) 1.401 5.272 ( 3.109 0.136 -1.239) 3.350 5.361 ( -0.168 -0.979 2.784) 2.955 5.475 ( -0.063 -0.445 0.997) 1.094 5.536 ( 0.287 -1.049 3.165) 3.347 5.662 ( -1.297 -3.292 2.127) 4.129 5.684 ( 1.236 -2.216 0.288) 2.554 5.765 ( 1.812 0.874 0.233) 2.025 5.794 ( -2.001 -0.322 0.627) 2.121 5.803 ( -1.123 -0.894 -4.973) 5.176 5.873 ( 0.226 1.694 -1.656) 2.380 6.131 ( 0.989 -1.997 -5.012) 5.485 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -10.344 7.173 7.347) 14.576 1.209 ( -10.399 5.663 11.741) 16.675 1.529 ( 9.662 2.755 -4.939) 11.195 1.692 ( -3.075 0.369 10.145) 10.607 1.940 ( -0.620 -0.368 2.439) 2.544 2.045 ( 1.481 -2.182 0.881) 2.781 2.092 ( -3.017 0.680 2.846) 4.203 2.202 ( -3.975 1.842 2.782) 5.190 2.246 ( 3.593 -0.389 4.127) 5.486 2.341 ( 1.195 -2.070 -1.497) 2.821 2.449 ( 0.318 -2.280 -3.420) 4.122 2.500 ( -1.036 -2.764 -0.042) 2.952 2.588 ( -0.570 -3.330 2.112) 3.984 2.700 ( 2.488 -0.659 1.130) 2.811 2.741 ( -1.831 0.799 -0.529) 2.067 2.832 ( 1.476 -0.806 3.687) 4.052 2.865 ( -0.416 5.592 6.539) 8.614 2.960 ( -1.173 2.730 0.291) 2.985 3.103 ( 2.144 0.574 -5.227) 5.678 3.267 ( -3.784 0.274 -3.302) 5.029 3.312 ( 4.164 0.418 -5.317) 6.766 3.540 ( -0.187 -0.290 1.550) 1.588 3.726 ( 4.548 -5.015 -5.526) 8.739 3.926 ( 2.332 3.641 -5.758) 7.200 4.197 ( 0.530 3.696 3.572) 5.168 4.303 ( -1.119 1.402 2.980) 3.478 4.396 ( -4.023 3.147 1.540) 5.334 4.559 ( -0.318 -0.655 -0.625) 0.960 4.597 ( 1.601 -1.650 3.317) 4.036 4.645 ( 1.533 2.708 1.337) 3.387 4.691 ( 0.308 4.091 -4.781) 6.300 4.811 ( -0.313 -0.827 -1.989) 2.176 4.908 ( 0.700 -0.253 4.055) 4.123 5.001 ( 0.805 0.774 -2.572) 2.804 5.009 ( -0.555 2.120 -1.896) 2.898 5.183 ( 0.316 -0.500 -1.545) 1.654 5.197 ( -0.712 1.480 0.593) 1.746 5.334 ( 2.482 -0.202 -1.740) 3.038 5.364 ( 0.021 -0.911 0.789) 1.206 5.458 ( -2.083 0.730 0.697) 2.315 5.544 ( -0.160 -1.289 2.375) 2.707 5.634 ( -1.361 -7.528 2.933) 8.193 5.720 ( -0.115 -1.876 0.949) 2.105 5.754 ( 1.088 1.129 -0.869) 1.793 5.798 ( 0.573 -1.556 -2.576) 3.064 5.811 ( 2.252 2.088 0.095) 3.073 5.887 ( 1.655 2.299 -1.320) 3.125 6.120 ( -1.119 -1.213 -3.922) 4.255 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -1.367 9.984 14.289) 17.485 1.048 ( -8.331 7.035 16.396) 19.691 1.636 ( -1.101 4.246 9.950) 10.874 1.728 ( 5.471 4.611 -2.613) 7.617 1.916 ( -1.263 1.804 -1.851) 2.877 2.005 ( -2.660 5.459 9.057) 10.905 2.116 ( 2.925 -5.010 1.339) 5.953 2.152 ( -2.050 0.082 0.106) 2.055 2.296 ( 0.670 -3.392 3.040) 4.604 2.366 ( 1.246 -1.676 -3.035) 3.684 2.438 ( -0.557 -3.700 -2.490) 4.495 2.482 ( -0.840 -2.931 1.646) 3.465 2.556 ( -1.604 -2.134 -0.040) 2.670 2.682 ( -0.773 0.206 1.930) 2.089 2.766 ( 2.193 3.278 -7.232) 8.237 2.858 ( -1.502 3.465 3.864) 5.403 2.906 ( 3.649 -0.731 3.650) 5.213 2.971 ( 0.589 -0.638 4.685) 4.765 3.119 ( -0.879 1.347 -4.015) 4.325 3.187 ( 0.402 3.651 -0.210) 3.679 3.392 ( 2.347 -4.405 -3.325) 5.998 3.534 ( 0.391 1.538 -0.425) 1.643 3.734 ( -2.954 -6.787 -4.414) 8.618 3.966 ( 3.564 0.423 -7.151) 8.001 4.214 ( 0.539 2.085 1.301) 2.516 4.288 ( -1.774 4.044 1.151) 4.563 4.340 ( -1.363 1.370 2.607) 3.245 4.562 ( 0.458 3.016 0.472) 3.087 4.627 ( -1.594 -2.071 3.226) 4.152 4.638 ( 1.348 -1.668 0.934) 2.340 4.708 ( 0.951 2.336 0.681) 2.612 4.840 ( 3.165 2.752 -3.005) 5.160 4.937 ( -2.750 2.911 -3.316) 5.200 4.962 ( 3.204 2.058 1.460) 4.078 5.036 ( 0.575 -0.232 1.059) 1.227 5.170 ( -1.465 -0.596 0.307) 1.611 5.207 ( 0.861 2.004 -2.278) 3.154 5.311 ( -2.730 -0.950 -0.739) 2.984 5.374 ( -0.732 0.028 -2.003) 2.132 5.417 ( -1.239 0.055 -1.873) 2.247 5.548 ( 0.392 -2.419 1.875) 3.086 5.635 ( 0.573 -7.347 3.752) 8.270 5.706 ( 0.095 -1.332 0.440) 1.406 5.789 ( 0.617 -0.210 -1.845) 1.957 5.821 ( 2.773 -0.727 1.136) 3.084 5.847 ( 1.336 2.231 0.148) 2.605 5.922 ( 1.971 2.832 -1.295) 3.686 6.073 ( -3.017 0.617 -2.699) 4.095 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 1.590 14.735 10.759) 18.314 1.228 ( 1.617 13.505 11.708) 17.947 1.731 ( -0.229 4.555 -4.982) 6.755 1.861 ( 2.846 1.169 1.417) 3.387 1.998 ( 1.481 3.278 -4.038) 5.408 2.007 ( 3.689 -11.256 2.067) 12.024 2.068 ( 0.519 -3.317 -1.020) 3.509 2.175 ( -0.663 1.213 5.041) 5.227 2.231 ( -5.014 3.952 3.024) 7.064 2.253 ( 0.011 -1.126 0.921) 1.455 2.400 ( -0.310 0.225 -1.469) 1.518 2.467 ( 0.619 0.503 -0.614) 1.006 2.500 ( -0.169 -2.980 -2.527) 3.911 2.690 ( 0.708 -1.115 0.447) 1.394 2.787 ( -3.242 2.236 2.885) 4.882 2.908 ( -4.597 2.971 1.761) 5.750 2.977 ( 0.764 0.724 3.393) 3.553 3.006 ( 4.861 2.662 -1.359) 5.706 3.091 ( -0.572 -0.341 -2.370) 2.462 3.236 ( -3.665 -2.664 0.429) 4.551 3.419 ( 8.296 0.654 2.617) 8.724 3.483 ( -1.841 -7.448 -2.147) 7.967 3.518 ( -6.291 0.756 2.928) 6.980 3.941 ( 0.642 -6.859 -0.619) 6.917 4.278 ( 1.232 3.119 0.362) 3.373 4.351 ( -2.335 4.835 -1.015) 5.464 4.410 ( 0.798 6.342 -0.400) 6.404 4.574 ( -0.859 1.269 4.553) 4.804 4.600 ( 0.311 -3.831 3.047) 4.905 4.611 ( 1.962 -1.704 1.283) 2.898 4.759 ( -0.755 2.141 -0.509) 2.327 4.910 ( 0.541 -1.391 -3.070) 3.413 4.962 ( -0.311 3.975 -0.704) 4.049 4.994 ( -1.105 1.049 1.492) 2.133 5.067 ( -1.117 -0.053 1.570) 1.928 5.184 ( -0.241 3.183 -1.819) 3.674 5.246 ( 0.032 1.436 -1.222) 1.886 5.280 ( 0.458 -0.283 -0.661) 0.852 5.320 ( -0.454 -1.663 -0.567) 1.814 5.368 ( -0.949 -0.903 -4.880) 5.052 5.479 ( 0.715 -5.012 -0.039) 5.063 5.557 ( 0.878 -4.602 0.568) 4.720 5.708 ( 1.995 -0.642 -1.046) 2.342 5.777 ( 1.796 -1.252 -3.521) 4.147 5.880 ( 0.463 1.567 0.980) 1.905 5.910 ( 0.448 1.883 1.554) 2.482 5.967 ( -0.723 1.544 -0.404) 1.752 6.052 ( -1.034 1.208 -3.711) 4.037 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.810 14.130 8.731) 16.630 1.307 ( 4.542 12.585 10.033) 16.723 1.710 ( -0.472 5.469 -6.972) 8.874 1.901 ( 1.015 1.957 -0.768) 2.334 1.967 ( -2.545 -1.185 -0.656) 2.883 2.060 ( -1.994 -0.330 2.344) 3.095 2.112 ( 4.442 -4.270 -0.015) 6.162 2.162 ( -0.511 -6.748 -0.857) 6.821 2.171 ( -1.304 -1.802 4.172) 4.728 2.276 ( 1.726 3.543 2.887) 4.885 2.384 ( -1.365 0.986 -0.230) 1.700 2.463 ( -0.727 -1.970 -2.789) 3.491 2.503 ( 1.015 0.605 -0.726) 1.387 2.675 ( -3.483 -5.306 -1.580) 6.541 2.760 ( -0.118 2.504 6.181) 6.670 2.834 ( -2.297 1.931 2.613) 3.979 2.982 ( -2.175 -1.322 2.608) 3.644 3.024 ( -2.221 0.301 -5.988) 6.394 3.104 ( 2.364 -2.468 2.521) 4.247 3.149 ( -2.996 -2.947 0.377) 4.219 3.383 ( -6.884 3.902 4.477) 9.092 3.535 ( 7.226 0.491 -4.519) 8.537 3.571 ( 5.128 1.230 2.759) 5.952 3.952 ( -0.199 -6.593 -0.104) 6.597 4.287 ( -1.302 3.055 -1.691) 3.727 4.330 ( 1.271 3.555 1.006) 3.907 4.407 ( -0.855 4.423 -0.416) 4.524 4.564 ( 0.128 7.210 1.868) 7.449 4.615 ( -0.075 -4.767 7.142) 8.587 4.673 ( 3.461 -5.865 -0.873) 6.866 4.743 ( -0.413 3.037 0.153) 3.069 4.897 ( -0.537 -1.116 -3.873) 4.066 4.949 ( -1.379 4.218 -0.077) 4.438 4.980 ( -0.406 1.421 1.131) 1.861 5.024 ( -3.289 -0.000 1.595) 3.655 5.167 ( -1.011 1.954 -2.824) 3.580 5.247 ( -0.675 0.085 -1.237) 1.412 5.262 ( -1.025 0.068 -0.240) 1.055 5.343 ( 1.463 -1.632 -2.619) 3.415 5.365 ( 1.627 0.323 -1.842) 2.479 5.501 ( 1.286 -5.015 0.917) 5.257 5.565 ( 0.292 -5.857 1.249) 5.995 5.743 ( 1.685 -0.113 -1.806) 2.472 5.812 ( 2.514 -0.155 -3.411) 4.240 5.864 ( -2.244 1.176 0.292) 2.550 5.911 ( -0.860 -0.142 1.107) 1.409 5.945 ( -1.015 2.204 0.486) 2.474 6.019 ( -1.564 1.373 -3.850) 4.376 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 1.317 10.318 5.340) 11.693 1.439 ( 6.370 9.804 7.757) 14.031 1.669 ( -2.600 9.174 -6.544) 11.565 1.878 ( -4.408 -4.259 1.702) 6.362 1.903 ( -3.549 2.265 -3.206) 5.292 2.022 ( -1.230 2.400 4.639) 5.366 2.137 ( -1.714 -1.281 -1.498) 2.612 2.160 ( -0.283 -4.410 -0.580) 4.457 2.207 ( 2.574 -10.789 5.123) 12.218 2.302 ( 1.461 -2.188 -4.008) 4.794 2.374 ( 1.023 2.307 3.353) 4.197 2.442 ( -0.719 -0.870 -0.556) 1.258 2.533 ( 2.462 1.651 -1.018) 3.134 2.574 ( -7.264 -6.445 0.776) 9.742 2.723 ( -3.195 -0.586 1.849) 3.738 2.866 ( -0.181 0.540 2.217) 2.289 2.917 ( -0.310 -2.821 2.225) 3.606 2.991 ( 0.895 -0.622 -6.714) 6.802 3.128 ( 1.588 -1.861 2.695) 3.640 3.193 ( 3.730 -1.424 1.141) 4.153 3.285 ( -3.494 7.912 5.204) 10.094 3.621 ( -0.623 5.265 4.515) 6.964 3.679 ( 7.690 3.288 -4.791) 9.639 3.910 ( -4.176 -2.701 -1.113) 5.097 4.275 ( 0.856 0.901 -0.700) 1.426 4.326 ( -2.319 1.359 2.147) 3.440 4.426 ( 3.116 5.759 0.174) 6.551 4.578 ( 0.405 8.364 0.596) 8.395 4.627 ( -0.042 -5.063 6.297) 8.081 4.697 ( -0.698 -0.607 -0.228) 0.952 4.784 ( 4.479 -2.022 -1.777) 5.225 4.874 ( -0.901 -1.298 -4.023) 4.322 4.929 ( -1.058 6.122 -0.133) 6.214 4.942 ( -3.740 -3.661 1.011) 5.330 4.989 ( -0.581 1.687 1.208) 2.155 5.136 ( -1.520 0.478 -1.890) 2.472 5.202 ( -1.817 -2.069 -2.027) 3.419 5.274 ( 0.708 3.235 -0.589) 3.364 5.360 ( 1.577 -1.607 -2.645) 3.474 5.387 ( 0.040 -1.174 2.125) 2.428 5.519 ( 0.160 -3.561 2.440) 4.320 5.587 ( 1.548 -5.533 0.820) 5.804 5.749 ( -1.120 1.115 -0.457) 1.645 5.804 ( -3.238 0.922 -0.707) 3.440 5.852 ( 1.924 -0.658 -2.463) 3.194 5.891 ( -1.428 -0.876 0.365) 1.714 5.936 ( 0.165 1.145 -0.907) 1.470 5.985 ( -0.561 0.029 -5.224) 5.254 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 5.893 4.383 1.958) 7.601 1.530 ( 0.848 4.447 4.718) 6.538 1.591 ( -4.492 9.865 -2.159) 11.053 1.780 ( -5.471 -1.917 2.113) 6.170 1.823 ( -3.144 0.801 0.833) 3.350 2.012 ( -5.316 -4.084 2.499) 7.154 2.066 ( 0.253 5.614 0.270) 5.626 2.169 ( 0.627 -0.810 -1.762) 2.039 2.249 ( 0.298 -11.619 3.521) 12.145 2.347 ( 3.098 -5.930 -3.727) 7.658 2.404 ( -1.092 -0.236 2.377) 2.626 2.425 ( -3.457 -0.553 -1.009) 3.644 2.450 ( 0.457 -3.938 2.686) 4.789 2.592 ( 4.229 -1.497 -4.024) 6.026 2.682 ( -1.680 0.820 2.771) 3.342 2.808 ( -2.280 -2.719 -4.410) 5.660 2.989 ( 2.922 0.265 3.796) 4.798 3.016 ( 2.387 0.522 -2.530) 3.517 3.158 ( 0.697 1.775 0.364) 1.941 3.236 ( 2.022 -0.713 0.487) 2.198 3.322 ( 4.431 5.635 5.593) 9.092 3.573 ( -5.206 9.290 5.960) 12.203 3.784 ( 3.018 4.641 -5.539) 7.831 3.814 ( -3.559 -1.071 0.498) 3.750 4.287 ( -1.279 3.314 1.571) 3.884 4.312 ( 2.008 -1.245 1.071) 2.594 4.483 ( 1.598 5.432 1.490) 5.856 4.578 ( 0.013 7.115 0.758) 7.155 4.635 ( -0.253 -1.546 2.830) 3.235 4.683 ( -0.387 -0.334 0.153) 0.533 4.801 ( -3.330 -0.969 -3.033) 4.607 4.870 ( -0.098 -2.689 -3.552) 4.456 4.894 ( 0.718 -5.381 -0.061) 5.429 4.924 ( -0.027 5.309 -1.754) 5.591 4.984 ( 1.071 1.038 1.508) 2.121 5.113 ( -0.732 -0.652 0.869) 1.310 5.186 ( 0.476 -2.300 -0.968) 2.540 5.274 ( -0.361 1.000 -1.041) 1.488 5.373 ( -1.119 -0.070 2.387) 2.638 5.403 ( 2.498 -1.024 -0.091) 2.701 5.516 ( -1.177 -2.618 2.389) 3.735 5.612 ( 0.698 -4.503 0.610) 4.598 5.706 ( -2.492 0.957 0.470) 2.710 5.761 ( -1.052 1.340 -1.569) 2.316 5.836 ( -2.716 -1.536 0.771) 3.214 5.883 ( 0.300 0.593 -2.965) 3.038 5.926 ( -1.258 0.715 -1.406) 2.017 5.998 ( 3.067 -2.940 -6.770) 7.993 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -2.081 2.506 1.827) 3.735 1.484 ( -2.810 9.123 0.239) 9.549 1.583 ( 1.379 1.437 2.120) 2.909 1.692 ( 0.120 -1.336 0.451) 1.415 1.789 ( -4.619 -2.539 7.742) 9.366 1.888 ( -4.350 -2.445 0.890) 5.069 2.126 ( 3.618 1.823 1.895) 4.473 2.163 ( -0.486 0.745 -2.431) 2.589 2.221 ( -2.769 -7.937 0.315) 8.412 2.333 ( -1.274 -5.015 0.001) 5.174 2.404 ( 2.040 0.308 -1.472) 2.534 2.428 ( 0.457 -0.902 -1.439) 1.759 2.505 ( 3.329 -2.589 3.159) 5.270 2.642 ( -0.961 -2.459 -0.878) 2.782 2.686 ( 4.306 -0.696 -1.966) 4.785 2.784 ( 0.336 -0.891 -3.836) 3.953 3.008 ( 0.156 1.807 -1.920) 2.641 3.057 ( 0.457 1.856 1.460) 2.405 3.179 ( 1.891 0.889 0.103) 2.092 3.265 ( -0.407 0.248 1.765) 1.828 3.402 ( 0.400 2.808 4.836) 5.606 3.487 ( -2.421 10.462 5.646) 12.132 3.716 ( -3.320 2.341 -2.531) 4.787 3.865 ( 3.680 2.131 -0.684) 4.307 4.282 ( 0.426 4.299 1.907) 4.722 4.350 ( 1.540 -0.475 0.716) 1.763 4.470 ( -2.867 2.623 4.375) 5.851 4.592 ( 0.709 5.005 0.193) 5.059 4.636 ( -0.069 3.282 -1.501) 3.609 4.679 ( -0.745 1.279 1.061) 1.821 4.736 ( -1.153 -1.414 -3.269) 3.743 4.861 ( 0.118 -2.704 -1.176) 2.951 4.887 ( -0.888 -0.368 -2.444) 2.626 4.900 ( -1.682 -1.502 0.399) 2.290 5.059 ( 4.795 1.172 -2.013) 5.331 5.106 ( -0.099 -1.767 2.006) 2.675 5.212 ( 2.047 -1.913 -0.095) 2.803 5.266 ( -0.218 0.683 0.262) 0.763 5.354 ( -1.130 -0.027 2.152) 2.431 5.447 ( 1.343 -0.110 1.287) 1.864 5.493 ( -0.766 -2.803 1.737) 3.385 5.605 ( -1.854 -4.797 0.439) 5.162 5.679 ( -0.417 1.112 0.302) 1.226 5.755 ( 0.458 0.118 -0.906) 1.022 5.797 ( -0.720 0.733 -0.705) 1.246 5.861 ( -2.073 0.350 -2.585) 3.332 5.898 ( -0.828 0.315 -3.117) 3.241 6.044 ( 2.817 -3.910 -5.433) 7.262 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -8.426 6.056 3.044) 10.814 1.467 ( -0.874 8.432 1.185) 8.560 1.520 ( -3.626 4.653 4.066) 7.164 1.699 ( -3.351 -1.508 7.619) 8.459 1.851 ( 9.374 -5.271 -0.414) 10.762 1.875 ( 2.331 -6.001 1.086) 6.528 2.120 ( -2.430 2.238 0.283) 3.315 2.153 ( -1.910 -6.383 -2.237) 7.028 2.231 ( 3.587 -0.913 -0.964) 3.825 2.321 ( -0.175 -0.241 2.026) 2.047 2.425 ( 0.013 -1.260 -2.733) 3.010 2.440 ( 1.439 0.197 -0.147) 1.460 2.547 ( -0.742 -3.076 0.678) 3.236 2.633 ( 2.201 -0.326 0.476) 2.275 2.765 ( 1.026 -0.479 -0.064) 1.134 2.798 ( 4.435 -0.601 -4.355) 6.244 3.012 ( 0.783 0.927 -2.788) 3.041 3.019 ( -4.242 1.568 -0.566) 4.558 3.176 ( -4.696 4.292 5.610) 8.482 3.261 ( 2.209 2.172 2.553) 4.014 3.346 ( -4.852 2.048 1.812) 5.569 3.522 ( 2.153 1.811 1.752) 3.314 3.676 ( -0.565 2.437 -0.175) 2.508 3.935 ( 3.473 2.109 -0.694) 4.122 4.301 ( 0.857 6.854 1.414) 7.051 4.359 ( -1.032 1.621 0.459) 1.976 4.444 ( -0.069 -1.996 7.104) 7.380 4.550 ( -4.474 0.953 -1.722) 4.887 4.633 ( -1.883 1.849 -1.921) 3.264 4.668 ( 1.780 3.241 0.631) 3.751 4.746 ( 1.344 2.882 -3.065) 4.416 4.839 ( -1.707 -0.278 -0.788) 1.901 4.880 ( -0.397 -1.239 1.942) 2.337 4.913 ( 4.077 -1.999 -1.192) 4.695 5.085 ( -0.020 1.319 -1.776) 2.213 5.151 ( 2.294 -1.292 -2.701) 3.772 5.249 ( 2.349 -2.087 -0.557) 3.191 5.268 ( 0.103 2.831 1.113) 3.044 5.346 ( -0.163 -0.363 2.986) 3.012 5.450 ( -0.328 -2.417 1.579) 2.905 5.512 ( 0.930 -1.567 2.465) 3.065 5.549 ( -3.718 -5.269 0.429) 6.463 5.688 ( 1.158 0.755 0.030) 1.383 5.761 ( 0.225 -1.560 -0.824) 1.778 5.806 ( -2.320 0.810 -3.815) 4.537 5.814 ( 1.958 2.667 -0.358) 3.328 5.887 ( 0.627 0.140 -3.405) 3.465 6.075 ( 1.439 -3.734 -4.079) 5.715 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -5.903 11.241 7.435) 14.713 1.350 ( -8.821 8.676 10.344) 16.126 1.600 ( 7.715 4.065 -3.403) 9.361 1.712 ( 2.717 1.235 3.636) 4.704 1.889 ( 0.654 -6.173 2.518) 6.699 2.003 ( 3.336 -4.111 -3.213) 6.194 2.069 ( -1.657 -0.868 -1.042) 2.141 2.140 ( 0.677 -2.316 1.709) 2.957 2.270 ( 0.762 -5.103 -2.256) 5.631 2.348 ( 1.673 6.033 3.687) 7.266 2.413 ( -0.794 -1.032 -2.771) 3.062 2.444 ( -0.810 -2.244 -0.009) 2.386 2.524 ( -0.538 -3.106 -0.809) 3.255 2.694 ( 2.606 -1.550 -0.952) 3.178 2.767 ( 0.770 2.082 -1.111) 2.482 2.874 ( -0.122 4.660 4.894) 6.759 2.951 ( 1.376 1.884 2.531) 3.442 3.015 ( -1.070 1.810 0.652) 2.202 3.116 ( -0.679 3.201 -1.100) 3.452 3.236 ( -6.109 -2.227 -1.506) 6.674 3.309 ( 1.677 -0.831 -0.483) 1.933 3.550 ( 0.484 -0.189 1.461) 1.550 3.674 ( -0.857 0.695 2.743) 2.957 3.969 ( 0.098 0.226 -1.415) 1.437 4.310 ( -0.762 5.904 0.124) 5.954 4.341 ( -0.168 2.508 3.192) 4.063 4.459 ( -3.805 4.010 -1.591) 5.752 4.483 ( 1.932 -4.499 6.609) 8.225 4.596 ( -1.310 -0.078 -1.376) 1.901 4.681 ( -1.243 1.411 0.015) 1.880 4.759 ( 0.754 2.252 -1.687) 2.913 4.830 ( 1.319 1.080 -1.681) 2.394 4.905 ( 2.635 0.655 1.688) 3.197 4.997 ( 3.985 0.128 0.953) 4.099 5.070 ( -1.558 2.978 -2.664) 4.289 5.157 ( 0.536 -1.302 -2.559) 2.921 5.254 ( -0.596 3.191 -1.785) 3.704 5.320 ( 3.334 -1.731 -2.346) 4.429 5.353 ( -0.072 -0.051 2.490) 2.492 5.457 ( 0.177 -1.397 0.470) 1.484 5.463 ( -4.126 -7.611 2.636) 9.050 5.524 ( -0.735 -1.520 1.248) 2.100 5.697 ( -0.874 -0.627 -0.416) 1.153 5.760 ( 0.280 -1.785 -0.809) 1.980 5.791 ( 1.966 2.034 -2.712) 3.920 5.856 ( 2.291 2.127 -0.286) 3.139 5.914 ( 2.684 1.040 -2.627) 3.897 6.083 ( 0.235 -2.675 -3.133) 4.126 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.582 14.578 10.844) 18.178 1.234 ( -5.172 11.814 11.942) 17.577 1.712 ( 3.726 4.391 -2.171) 6.154 1.795 ( 4.534 0.279 -0.708) 4.597 1.912 ( 2.716 -5.967 -0.360) 6.566 2.009 ( -0.081 -1.717 -0.690) 1.852 2.063 ( 0.304 -3.442 -1.423) 3.737 2.164 ( 0.676 1.769 3.898) 4.334 2.263 ( -0.730 -5.861 -1.399) 6.069 2.325 ( -5.035 6.544 5.271) 9.796 2.402 ( 0.688 0.003 -3.631) 3.695 2.452 ( 1.086 -2.380 -0.307) 2.634 2.511 ( -0.654 -2.174 -1.437) 2.687 2.693 ( -1.394 0.378 1.938) 2.417 2.803 ( 2.104 3.717 -1.943) 4.692 2.900 ( 3.357 2.222 5.278) 6.638 2.965 ( -1.728 1.933 0.546) 2.650 3.000 ( -2.170 5.961 5.366) 8.309 3.115 ( -2.129 -1.177 -2.943) 3.818 3.209 ( 7.017 -1.923 -3.464) 8.059 3.317 ( -0.039 -3.671 -0.982) 3.800 3.540 ( -2.137 -3.719 0.980) 4.400 3.627 ( -5.076 -0.420 3.886) 6.406 3.948 ( -1.130 -3.455 -1.488) 3.928 4.277 ( -1.404 2.297 -0.015) 2.692 4.366 ( 0.983 3.640 3.385) 5.067 4.410 ( -1.272 7.672 -2.094) 8.054 4.537 ( 2.295 -3.893 5.517) 7.132 4.583 ( 0.133 -1.746 0.024) 1.751 4.639 ( -2.663 1.702 0.677) 3.232 4.767 ( 0.069 2.210 -0.095) 2.213 4.873 ( 3.168 -0.462 -2.351) 3.972 4.964 ( 2.319 1.462 -0.006) 2.741 5.014 ( -2.532 2.117 -0.475) 3.335 5.057 ( 1.488 1.535 1.357) 2.532 5.177 ( 1.366 1.800 -0.930) 2.443 5.241 ( -0.036 0.589 -2.751) 2.813 5.314 ( -2.428 0.997 -0.599) 2.692 5.347 ( -1.595 -1.666 -2.840) 3.659 5.402 ( -1.675 -2.547 -0.693) 3.126 5.471 ( 0.340 -4.445 0.330) 4.471 5.528 ( 1.430 -3.375 1.198) 3.856 5.684 ( 0.365 -0.702 -0.625) 1.008 5.763 ( 0.532 -2.314 -2.620) 3.536 5.843 ( 2.884 2.367 0.509) 3.766 5.893 ( 1.367 2.152 0.508) 2.600 5.958 ( 1.907 1.434 -1.725) 2.944 6.073 ( -0.451 -0.741 -3.138) 3.256 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 2.053 14.907 4.777) 15.788 1.497 ( 2.009 13.777 8.425) 16.273 1.722 ( 1.738 -9.982 0.731) 10.159 1.766 ( 2.004 -12.361 4.446) 13.288 1.881 ( 2.216 5.323 -1.723) 6.018 1.990 ( 1.533 -4.167 -3.868) 5.889 2.036 ( 1.085 1.273 -2.707) 3.183 2.101 ( -0.662 -6.122 -2.719) 6.731 2.235 ( -1.217 5.811 -1.033) 6.026 2.345 ( -1.151 -3.736 -1.675) 4.253 2.434 ( 0.468 1.406 -3.883) 4.156 2.457 ( 1.925 -0.840 -3.076) 3.724 2.522 ( -0.813 6.444 0.181) 6.498 2.627 ( -1.234 -4.492 -1.496) 4.892 2.941 ( -6.962 8.285 5.432) 12.108 2.949 ( -0.884 3.791 3.873) 5.491 3.001 ( 1.824 -2.468 2.009) 3.668 3.022 ( -2.573 3.947 1.813) 5.048 3.099 ( -6.063 -0.084 -2.124) 6.425 3.170 ( -5.790 -4.097 3.133) 7.754 3.354 ( 6.405 -4.011 0.596) 7.580 3.366 ( 10.833 -3.857 -0.564) 11.513 3.615 ( -4.297 6.669 8.440) 11.584 3.769 ( -2.279 -9.514 6.565) 11.782 4.349 ( 1.472 4.103 0.946) 4.461 4.402 ( -0.501 -0.165 -0.234) 0.577 4.504 ( -1.420 0.802 -0.794) 1.814 4.526 ( -0.097 -2.563 0.061) 2.566 4.595 ( 0.397 4.776 3.531) 5.953 4.658 ( -0.111 0.917 2.665) 2.821 4.774 ( 0.496 1.844 -2.974) 3.535 4.854 ( 1.321 -4.352 -1.865) 4.916 5.023 ( -1.402 2.440 2.123) 3.525 5.033 ( -1.427 1.767 3.438) 4.120 5.078 ( 0.398 1.439 -0.887) 1.736 5.142 ( -1.337 -5.029 -2.021) 5.583 5.258 ( 0.371 0.715 -2.540) 2.665 5.286 ( -0.871 -1.118 0.403) 1.474 5.330 ( 0.027 2.160 0.305) 2.182 5.368 ( -0.099 -0.061 -1.985) 1.988 5.418 ( 0.203 -0.053 -4.290) 4.295 5.473 ( 0.269 -4.068 -2.231) 4.647 5.712 ( 2.426 1.029 -2.743) 3.804 5.743 ( 2.659 -1.981 -3.327) 4.697 5.910 ( -0.146 1.345 0.590) 1.476 5.926 ( -0.294 -0.216 0.571) 0.678 6.012 ( -0.038 2.704 -0.989) 2.879 6.052 ( -0.167 -1.185 -2.866) 3.106 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.003 14.359 4.279) 14.983 1.559 ( 3.023 12.649 6.557) 14.564 1.749 ( 0.732 -6.872 -0.485) 6.928 1.790 ( -0.061 -8.751 1.127) 8.823 1.928 ( 3.052 -0.059 1.364) 3.343 1.994 ( -0.064 -4.017 -3.153) 5.107 2.063 ( 1.775 -0.725 -2.038) 2.798 2.091 ( 0.030 -3.747 -2.425) 4.464 2.190 ( -2.809 7.142 -2.254) 7.998 2.318 ( -0.931 -3.881 -0.652) 4.044 2.407 ( -2.902 2.572 -2.488) 4.607 2.473 ( -0.312 -1.147 -0.856) 1.465 2.519 ( 0.732 3.291 -2.514) 4.205 2.586 ( -2.933 -3.437 -1.998) 4.940 2.827 ( -6.208 4.014 3.623) 8.233 2.900 ( -2.341 3.733 2.808) 5.225 2.925 ( -7.854 -4.567 0.367) 9.093 2.989 ( -3.727 -3.703 -3.082) 6.091 3.061 ( 2.457 1.567 5.957) 6.632 3.116 ( 1.090 -2.239 3.160) 4.023 3.484 ( 2.515 7.176 2.302) 7.945 3.560 ( 10.262 0.426 -0.349) 10.276 3.619 ( 3.857 3.277 7.180) 8.785 3.761 ( -0.414 -11.394 6.957) 13.356 4.351 ( -2.179 3.153 -1.159) 4.004 4.381 ( -1.097 0.989 0.460) 1.547 4.481 ( 0.277 2.355 0.630) 2.454 4.556 ( 2.641 -5.073 0.899) 5.789 4.603 ( -0.138 3.371 2.820) 4.397 4.665 ( 0.607 0.065 1.489) 1.610 4.785 ( 1.234 4.121 -2.352) 4.903 4.860 ( -0.468 -2.639 -2.119) 3.417 4.976 ( -3.662 0.699 3.362) 5.020 5.020 ( -1.210 -0.641 2.078) 2.488 5.063 ( -1.135 3.077 -0.995) 3.428 5.122 ( -0.622 -3.417 -3.928) 5.244 5.230 ( -1.877 1.447 -1.614) 2.867 5.291 ( 1.039 -1.193 -0.458) 1.646 5.352 ( 1.241 0.247 0.012) 1.265 5.366 ( -0.057 1.318 -2.786) 3.083 5.424 ( 1.748 -1.385 -1.724) 2.819 5.467 ( 0.074 -4.284 0.135) 4.287 5.755 ( 2.485 1.440 -2.988) 4.145 5.790 ( 2.667 -1.851 -3.285) 4.618 5.887 ( -2.319 1.168 0.389) 2.625 5.905 ( -1.875 -0.639 0.164) 1.987 5.993 ( -1.473 2.431 -0.873) 2.974 6.025 ( -1.818 -0.710 -2.798) 3.412 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -3.403 12.204 3.522) 13.150 1.616 ( -0.570 3.889 2.870) 4.866 1.736 ( -0.333 -3.586 2.375) 4.314 1.795 ( 0.524 -0.421 -4.112) 4.167 1.952 ( -1.818 1.311 -2.549) 3.394 2.011 ( 2.089 -6.593 3.490) 7.747 2.061 ( -4.242 1.476 3.350) 5.603 2.097 ( 2.366 -2.570 -1.391) 3.760 2.158 ( 1.247 4.933 -6.213) 8.031 2.308 ( -1.592 -7.523 -1.421) 7.820 2.324 ( -2.953 4.280 0.756) 5.255 2.430 ( -4.476 -4.538 0.586) 6.401 2.504 ( -1.789 1.724 -2.568) 3.573 2.544 ( 0.271 -1.021 -3.035) 3.214 2.738 ( -3.003 2.054 0.947) 3.759 2.801 ( -4.081 -4.466 -0.867) 6.111 2.915 ( 2.655 1.377 1.402) 3.303 2.959 ( 1.106 -2.702 -2.875) 4.097 3.121 ( 2.463 1.503 5.266) 6.005 3.159 ( 2.140 -1.979 2.903) 4.114 3.503 ( -0.301 13.274 7.478) 15.238 3.693 ( 0.449 -0.358 6.794) 6.818 3.736 ( 7.026 1.849 0.532) 7.284 3.783 ( 2.375 -7.943 1.935) 8.513 4.304 ( -1.803 2.342 -0.414) 2.984 4.343 ( -2.326 -0.761 0.376) 2.476 4.530 ( 3.943 4.015 2.474) 6.147 4.602 ( -0.196 3.699 1.900) 4.163 4.618 ( 2.842 -4.864 1.249) 5.771 4.688 ( 1.415 -1.288 0.510) 1.980 4.792 ( -0.393 2.972 -2.945) 4.203 4.827 ( -1.904 -2.106 -2.897) 4.056 4.905 ( -4.101 2.072 0.837) 4.671 5.000 ( -1.620 -2.726 1.444) 3.484 5.056 ( 0.994 3.400 -0.160) 3.546 5.096 ( -0.868 -1.763 -2.545) 3.216 5.182 ( -2.998 2.378 -1.470) 4.099 5.282 ( -2.145 -4.335 -2.027) 5.244 5.365 ( 1.244 1.675 -0.811) 2.238 5.382 ( 1.440 0.916 1.227) 2.102 5.458 ( 1.424 -1.192 1.008) 2.112 5.499 ( 2.591 -3.862 0.796) 4.718 5.774 ( -0.746 1.602 -0.988) 2.025 5.807 ( -1.584 -1.388 -1.070) 2.362 5.845 ( -0.496 1.026 -1.743) 2.083 5.872 ( -0.532 -1.346 -2.049) 2.508 5.962 ( -1.356 1.398 -1.857) 2.691 5.982 ( -1.855 -0.556 -3.343) 3.864 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.164 6.966 2.439) 7.383 1.548 ( -4.381 -4.367 1.645) 6.401 1.754 ( -3.171 4.242 -1.177) 5.425 1.765 ( -0.220 3.325 -2.637) 4.250 1.881 ( -5.048 4.208 0.432) 6.586 1.950 ( -7.136 -2.473 4.644) 8.866 2.049 ( 0.164 -5.551 3.267) 6.443 2.105 ( -1.616 -5.585 0.079) 5.814 2.197 ( 4.087 4.663 -5.128) 8.047 2.283 ( 1.258 0.241 -0.747) 1.483 2.319 ( 0.536 -4.030 -3.211) 5.181 2.372 ( -0.231 -3.692 2.517) 4.475 2.487 ( 0.377 3.310 -2.325) 4.062 2.550 ( 1.051 -3.030 -4.262) 5.334 2.715 ( -0.200 2.349 0.796) 2.489 2.760 ( -0.358 -2.282 -1.938) 3.015 2.984 ( 3.767 0.040 0.211) 3.773 3.003 ( 3.569 -1.591 0.341) 3.922 3.171 ( 1.554 1.185 2.870) 3.472 3.204 ( 1.941 -2.034 2.230) 3.588 3.506 ( -1.196 10.708 7.927) 13.377 3.664 ( -4.139 -3.427 8.328) 9.911 3.807 ( 0.814 3.065 0.073) 3.172 3.848 ( 3.361 0.746 -2.641) 4.339 4.291 ( -0.071 0.902 2.345) 2.514 4.325 ( 0.753 -1.031 1.990) 2.364 4.585 ( -2.143 4.023 1.550) 4.815 4.625 ( 4.966 3.455 2.703) 6.626 4.650 ( -0.048 -1.668 -0.387) 1.713 4.711 ( 0.303 -0.624 -1.410) 1.572 4.777 ( 0.579 -1.453 -1.622) 2.253 4.793 ( -0.961 -3.047 -1.589) 3.568 4.836 ( -2.603 3.701 -1.582) 4.793 4.951 ( -3.484 -4.146 -1.795) 5.705 5.094 ( -0.108 1.128 1.744) 2.080 5.095 ( 1.796 7.278 0.375) 7.506 5.131 ( -0.488 -2.700 0.023) 2.744 5.235 ( -1.461 -5.127 -0.666) 5.372 5.380 ( 0.073 1.497 0.970) 1.785 5.417 ( 1.716 -0.726 0.503) 1.930 5.475 ( -0.192 0.924 1.212) 1.536 5.536 ( 0.766 -3.769 0.464) 3.874 5.730 ( -2.469 1.486 0.058) 2.882 5.760 ( -2.283 -1.389 -0.659) 2.752 5.841 ( 0.174 2.064 -1.560) 2.593 5.881 ( 0.861 -1.251 -2.735) 3.128 5.935 ( -1.302 0.354 -2.934) 3.229 5.950 ( 0.002 -1.609 -5.208) 5.451 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -0.680 3.675 2.803) 4.672 1.528 ( 2.580 -5.100 1.216) 5.843 1.660 ( -4.316 7.148 -0.451) 8.363 1.724 ( -3.192 1.739 -3.925) 5.350 1.782 ( -6.144 2.061 6.772) 9.373 1.834 ( -4.479 -2.698 3.168) 6.114 2.054 ( 0.156 -4.330 0.165) 4.336 2.093 ( 0.619 -5.678 -0.674) 5.751 2.249 ( 1.730 5.089 -5.088) 7.401 2.312 ( 1.843 3.461 1.451) 4.182 2.346 ( 2.354 -4.552 -4.337) 6.714 2.404 ( 2.276 -4.552 0.586) 5.123 2.504 ( 1.657 2.814 -0.883) 3.383 2.563 ( 1.230 -3.451 -3.577) 5.120 2.723 ( 1.247 2.672 -0.249) 2.959 2.765 ( 1.050 -1.453 -2.173) 2.817 3.042 ( 2.107 1.775 -0.477) 2.796 3.072 ( 2.196 -0.804 1.674) 2.875 3.185 ( -0.185 1.036 1.068) 1.499 3.227 ( -0.262 -2.849 1.455) 3.210 3.495 ( -1.666 6.305 7.717) 10.103 3.596 ( -4.378 -2.247 7.993) 9.386 3.793 ( -1.501 7.323 -0.529) 7.493 3.893 ( 2.087 -1.299 -1.250) 2.757 4.314 ( 1.831 1.844 3.926) 4.708 4.362 ( 1.786 -1.127 2.722) 3.446 4.530 ( -3.626 4.255 1.196) 5.717 4.611 ( -2.806 -2.945 -0.784) 4.143 4.694 ( -0.866 1.847 -1.507) 2.536 4.733 ( 1.655 0.386 -0.884) 1.915 4.755 ( 2.476 5.893 0.060) 6.392 4.803 ( -0.070 -0.751 -2.362) 2.480 4.838 ( 2.569 -3.359 0.424) 4.250 4.876 ( -3.439 -3.200 -2.719) 5.428 5.081 ( -0.260 0.566 1.546) 1.666 5.097 ( 0.035 -0.011 0.849) 0.850 5.184 ( 3.171 1.431 0.876) 3.587 5.247 ( 2.182 -2.840 2.322) 4.268 5.374 ( -0.780 1.845 0.414) 2.045 5.425 ( -1.492 -3.498 0.205) 3.808 5.470 ( 0.483 2.174 0.710) 2.338 5.526 ( -1.651 -3.453 0.234) 3.834 5.703 ( -0.433 1.392 -0.187) 1.470 5.732 ( -0.502 -1.566 -0.778) 1.820 5.847 ( 0.605 2.801 -1.533) 3.250 5.867 ( -1.611 0.120 -2.735) 3.177 5.905 ( -0.566 1.054 -4.199) 4.366 5.963 ( 2.016 -4.284 -4.485) 6.522 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -3.294 7.446 3.811) 8.990 1.537 ( -1.679 -4.071 2.851) 5.246 1.632 ( -1.682 6.752 2.513) 7.398 1.708 ( -1.183 2.148 3.820) 4.540 1.743 ( 7.018 -2.885 -3.377) 8.306 1.779 ( -2.763 -5.234 4.184) 7.248 2.063 ( 1.173 -0.992 -1.783) 2.353 2.120 ( 2.218 -4.470 -1.969) 5.364 2.243 ( -1.177 5.545 -2.454) 6.177 2.352 ( 2.224 2.881 -2.491) 4.410 2.362 ( -0.011 -4.910 -1.569) 5.154 2.440 ( 1.227 -5.552 -2.945) 6.403 2.525 ( 0.399 4.214 1.371) 4.449 2.595 ( 2.671 -2.779 -0.976) 3.976 2.770 ( 3.318 1.067 -1.822) 3.933 2.790 ( 3.361 -0.581 -3.354) 4.784 3.044 ( -2.292 1.931 -1.520) 3.361 3.052 ( -3.264 1.214 -0.712) 3.554 3.189 ( -0.495 -0.416 1.825) 1.936 3.219 ( 0.130 -3.524 2.404) 4.268 3.464 ( -4.126 6.222 8.138) 11.044 3.545 ( -2.609 -1.557 6.434) 7.116 3.769 ( -1.190 8.304 3.339) 9.029 3.921 ( 0.427 -4.974 1.395) 5.183 4.362 ( 1.854 0.701 2.178) 2.945 4.385 ( -0.155 -0.293 1.602) 1.636 4.467 ( -2.742 4.999 2.578) 6.257 4.555 ( -2.454 -2.642 -0.338) 3.622 4.656 ( -2.153 3.832 -1.267) 4.574 4.725 ( -0.537 0.739 -0.651) 1.122 4.797 ( 0.052 -2.287 -2.541) 3.419 4.806 ( -2.241 0.342 -1.757) 2.868 4.869 ( 5.424 0.572 -1.501) 5.657 4.893 ( 3.886 -0.066 -0.314) 3.899 5.093 ( 1.918 0.961 0.129) 2.150 5.148 ( 4.264 -2.601 1.851) 5.326 5.209 ( -0.710 2.439 -0.609) 2.612 5.289 ( 0.554 -2.832 1.525) 3.264 5.356 ( -0.983 1.615 0.672) 2.006 5.391 ( -1.435 -2.527 0.759) 3.004 5.481 ( -1.013 -0.381 0.909) 1.413 5.497 ( -0.206 -1.479 0.631) 1.621 5.707 ( 0.508 1.146 -0.506) 1.352 5.731 ( 0.288 -1.423 -0.852) 1.684 5.826 ( -1.328 1.259 -3.731) 4.156 5.846 ( 0.135 -0.340 -3.036) 3.058 5.913 ( 2.064 3.432 -2.619) 4.785 5.994 ( 1.956 -4.505 -3.042) 5.777 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -1.012 11.956 5.893) 13.368 1.516 ( -2.633 4.511 4.949) 7.195 1.610 ( 0.864 -2.092 4.035) 4.627 1.736 ( -1.280 -4.966 5.709) 7.674 1.760 ( 3.476 1.393 -1.655) 4.094 1.874 ( 6.232 -6.920 -3.856) 10.079 2.076 ( -0.216 2.109 -3.055) 3.719 2.154 ( 1.019 -4.705 -1.887) 5.171 2.216 ( -0.290 6.591 -0.203) 6.600 2.354 ( -0.171 -5.537 -1.030) 5.635 2.386 ( 2.285 1.034 -4.786) 5.404 2.432 ( -0.448 -3.653 -4.018) 5.449 2.540 ( 0.388 6.080 2.407) 6.550 2.638 ( 1.490 -3.984 -0.073) 4.255 2.830 ( 4.918 4.309 -3.239) 7.297 2.914 ( 9.473 -3.324 -3.137) 10.518 2.964 ( -3.512 2.491 0.202) 4.310 3.010 ( -1.250 -1.172 -1.323) 2.164 3.166 ( -2.323 1.309 1.521) 3.070 3.218 ( -1.911 -2.550 4.213) 5.282 3.368 ( -6.938 8.594 6.125) 12.630 3.504 ( -3.830 -4.505 5.462) 8.050 3.751 ( -2.380 6.528 6.395) 9.443 3.899 ( -3.484 -7.350 4.358) 9.228 4.352 ( -2.466 1.352 -0.372) 2.837 4.379 ( 0.357 -1.183 -1.283) 1.781 4.473 ( 1.712 3.809 5.735) 7.094 4.533 ( -0.179 -0.738 2.050) 2.186 4.617 ( -1.811 5.363 -1.099) 5.766 4.700 ( -1.941 -0.705 -0.025) 2.065 4.770 ( -0.519 -0.049 -3.015) 3.060 4.803 ( 1.156 -3.098 -3.187) 4.592 4.949 ( 3.886 2.883 -0.248) 4.845 4.992 ( 4.958 -1.239 -0.196) 5.114 5.141 ( -0.177 4.537 -0.629) 4.583 5.166 ( 0.543 3.200 -1.351) 3.516 5.236 ( 0.876 -4.653 0.749) 4.794 5.270 ( 0.437 -6.053 -0.740) 6.113 5.345 ( -0.434 1.614 0.369) 1.711 5.377 ( -0.394 -1.114 0.897) 1.483 5.456 ( -1.233 1.229 -0.701) 1.876 5.493 ( -1.162 -1.984 0.552) 2.365 5.699 ( -1.130 0.822 -1.137) 1.802 5.725 ( -0.643 -1.718 -1.097) 2.137 5.833 ( 2.827 2.166 -2.831) 4.550 5.866 ( 2.651 -1.026 -2.540) 3.812 5.955 ( 2.586 3.219 -1.563) 4.415 6.022 ( 1.585 -3.496 -2.174) 4.412 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 2.395 14.624 6.333) 16.115 1.476 ( -1.904 12.316 7.531) 14.561 1.671 ( 3.758 -10.704 1.044) 11.393 1.728 ( -0.148 -10.774 6.582) 12.627 1.833 ( 3.711 6.248 -3.006) 7.864 1.954 ( 3.288 -5.562 -4.203) 7.708 2.045 ( -1.340 2.696 -2.639) 4.004 2.131 ( -1.845 -6.139 -2.263) 6.798 2.237 ( 1.083 5.706 0.096) 5.809 2.356 ( 0.354 -5.734 -1.740) 6.002 2.418 ( 2.063 0.859 -5.334) 5.783 2.431 ( 1.232 -0.088 -3.445) 3.660 2.539 ( -0.879 6.027 1.585) 6.294 2.646 ( -0.455 -4.479 -0.246) 4.508 2.925 ( 2.361 4.060 0.130) 4.698 2.944 ( 3.073 1.828 -0.382) 3.596 3.010 ( 0.922 3.470 0.291) 3.602 3.095 ( -4.509 4.783 3.606) 7.498 3.121 ( 9.913 -5.169 -1.843) 11.331 3.168 ( -2.156 2.862 5.012) 6.161 3.255 ( -5.096 0.801 0.580) 5.191 3.408 ( -7.201 -8.786 4.938) 12.387 3.694 ( -4.992 5.374 7.307) 10.354 3.824 ( -4.733 -7.976 5.825) 10.952 4.328 ( 0.192 3.453 0.014) 3.458 4.390 ( 1.118 -2.269 -0.615) 2.603 4.514 ( 0.573 1.659 3.809) 4.194 4.538 ( -0.245 0.255 1.483) 1.524 4.586 ( -0.718 6.065 0.062) 6.108 4.665 ( -1.420 -0.304 1.350) 1.983 4.769 ( 0.774 0.152 -3.237) 3.331 4.826 ( 1.843 -4.099 -2.525) 5.155 5.012 ( 2.310 2.912 0.430) 3.742 5.052 ( 0.682 -0.719 2.903) 3.067 5.082 ( -2.440 4.155 -1.691) 5.107 5.185 ( -2.764 -5.487 -1.036) 6.231 5.224 ( 2.876 2.915 -1.210) 4.270 5.297 ( -0.326 -4.325 2.709) 5.114 5.352 ( 0.133 2.013 -2.414) 3.146 5.373 ( -0.017 1.127 -1.814) 2.135 5.430 ( -0.755 -0.298 -2.929) 3.040 5.468 ( -0.331 -3.066 -1.488) 3.424 5.686 ( 0.565 0.931 -1.855) 2.151 5.717 ( 0.573 -2.186 -2.247) 3.187 5.887 ( 2.488 1.959 -0.598) 3.223 5.911 ( 1.862 -0.356 -0.551) 1.974 5.996 ( 1.861 2.598 -1.317) 3.457 6.045 ( 1.263 -2.164 -2.399) 3.469 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 1.972 0.000 16.730) 16.845 1.286 ( -1.914 0.000 16.111) 16.224 1.488 ( -1.173 0.000 -12.667) 12.721 1.589 ( 0.649 0.000 -11.819) 11.836 2.102 ( -0.199 0.000 5.069) 5.073 2.103 ( -5.061 0.000 10.889) 12.007 2.224 ( -0.678 0.000 6.299) 6.336 2.279 ( 7.239 0.000 -2.193) 7.564 2.316 ( 0.174 0.000 2.486) 2.492 2.343 ( 1.978 0.000 -0.533) 2.049 2.424 ( -2.386 0.000 -0.015) 2.386 2.523 ( -2.042 0.000 4.179) 4.651 2.580 ( 2.483 0.000 -3.793) 4.533 2.623 ( -1.093 0.000 -5.940) 6.040 2.681 ( 2.819 0.000 0.943) 2.973 2.732 ( -0.766 0.000 -5.287) 5.342 2.994 ( -2.022 0.000 1.933) 2.798 3.039 ( 2.060 0.000 -2.489) 3.231 3.159 ( 3.329 0.000 3.556) 4.871 3.209 ( -2.186 0.000 -0.026) 2.186 3.466 ( -7.628 0.000 7.309) 10.565 3.506 ( 8.050 0.000 -3.354) 8.721 3.547 ( -4.309 0.000 -1.121) 4.452 3.770 ( 1.238 0.000 -13.659) 13.715 4.267 ( -2.031 0.000 0.655) 2.134 4.280 ( 2.043 0.000 -0.171) 2.050 4.364 ( -0.103 0.000 6.159) 6.160 4.479 ( -0.851 0.000 -3.606) 3.705 4.634 ( 4.054 0.000 1.238) 4.238 4.666 ( -3.554 0.000 1.080) 3.715 4.763 ( -0.574 0.000 -0.127) 0.588 4.822 ( 1.675 0.000 -4.058) 4.390 4.921 ( 2.725 0.000 6.938) 7.454 5.021 ( -1.778 0.000 -2.156) 2.795 5.026 ( 0.496 0.000 1.438) 1.521 5.062 ( -2.457 0.000 -2.562) 3.550 5.220 ( 1.385 0.000 2.724) 3.055 5.295 ( -2.736 0.000 -4.467) 5.238 5.337 ( 0.782 0.000 0.750) 1.084 5.345 ( 0.938 0.000 -0.319) 0.991 5.645 ( 0.688 0.000 3.194) 3.267 5.711 ( -0.487 0.000 -2.736) 2.779 5.766 ( 1.748 0.000 0.887) 1.961 5.793 ( -1.080 0.000 -1.648) 1.971 5.843 ( 2.248 0.000 1.022) 2.469 5.860 ( -1.274 0.000 -0.357) 1.323 5.948 ( 2.630 0.000 1.767) 3.168 5.970 ( -3.534 0.000 -0.462) 3.564 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -3.240 0.000 14.783) 15.134 1.285 ( -2.236 0.000 0.976) 2.440 1.439 ( 0.382 0.000 1.499) 1.547 1.609 ( 3.701 0.000 -12.008) 12.566 2.054 ( -2.466 0.000 7.898) 8.274 2.104 ( -0.543 0.000 4.592) 4.624 2.252 ( 3.176 0.000 -3.209) 4.515 2.302 ( -1.836 0.000 -0.284) 1.858 2.341 ( 1.051 0.000 -2.859) 3.046 2.414 ( 2.132 0.000 3.124) 3.782 2.431 ( 2.122 0.000 10.213) 10.431 2.496 ( -1.897 0.000 3.785) 4.234 2.553 ( -2.363 0.000 -5.228) 5.737 2.652 ( 3.488 0.000 -3.935) 5.258 2.747 ( 3.120 0.000 -5.370) 6.211 2.768 ( 5.782 0.000 0.594) 5.813 2.964 ( -1.599 0.000 1.697) 2.331 3.093 ( 4.157 0.000 -2.046) 4.634 3.122 ( -6.054 0.000 -0.949) 6.128 3.204 ( 0.287 0.000 2.255) 2.273 3.326 ( -5.399 0.000 -3.339) 6.348 3.459 ( -6.711 0.000 7.547) 10.099 3.578 ( -0.393 0.000 -0.833) 0.922 3.745 ( -0.146 0.000 -11.062) 11.063 4.258 ( 0.993 0.000 0.628) 1.175 4.323 ( 1.414 0.000 2.168) 2.588 4.377 ( 0.875 0.000 3.406) 3.517 4.457 ( -0.557 0.000 -2.925) 2.977 4.572 ( -5.983 0.000 2.240) 6.389 4.712 ( 3.485 0.000 -0.909) 3.601 4.788 ( 3.399 0.000 -1.933) 3.911 4.815 ( -1.057 0.000 -3.143) 3.316 4.966 ( -2.969 0.000 -4.146) 5.100 4.969 ( 0.048 0.000 6.064) 6.064 5.022 ( -0.794 0.000 3.740) 3.824 5.049 ( 1.364 0.000 -1.149) 1.784 5.233 ( -2.664 0.000 -2.839) 3.893 5.249 ( 0.518 0.000 3.409) 3.448 5.374 ( 1.904 0.000 -1.389) 2.357 5.389 ( 4.073 0.000 -0.008) 4.073 5.656 ( -0.460 0.000 3.144) 3.177 5.691 ( -0.932 0.000 -2.978) 3.120 5.768 ( -0.866 0.000 -1.622) 1.839 5.796 ( 1.156 0.000 -0.132) 1.163 5.839 ( -0.222 0.000 -2.685) 2.694 5.880 ( 1.160 0.000 0.753) 1.383 5.895 ( -4.216 0.000 -0.093) 4.218 5.985 ( 0.764 0.000 2.467) 2.582 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.963 0.000 7.529) 7.591 1.226 ( -0.997 0.000 -7.747) 7.811 1.519 ( 4.779 0.000 9.933) 11.022 1.653 ( 2.831 0.000 -9.943) 10.338 2.025 ( -2.382 0.000 5.349) 5.855 2.101 ( -1.307 0.000 6.105) 6.243 2.251 ( -1.859 0.000 -0.106) 1.862 2.322 ( -7.289 0.000 -0.886) 7.342 2.354 ( 6.962 0.000 -7.332) 10.111 2.361 ( -1.657 0.000 0.576) 1.754 2.470 ( -1.166 0.000 2.705) 2.945 2.508 ( 2.977 0.000 9.952) 10.387 2.545 ( 1.366 0.000 -3.534) 3.789 2.705 ( 2.495 0.000 0.383) 2.524 2.778 ( 0.585 0.000 -1.403) 1.520 2.880 ( 4.701 0.000 0.289) 4.710 2.942 ( -0.587 0.000 1.932) 2.019 3.007 ( -4.667 0.000 -1.428) 4.881 3.170 ( -3.725 0.000 -1.574) 4.044 3.172 ( 1.814 0.000 2.700) 3.252 3.292 ( -0.814 0.000 3.134) 3.238 3.349 ( 0.158 0.000 -9.204) 9.205 3.516 ( -5.192 0.000 2.505) 5.765 3.716 ( -1.538 0.000 -5.988) 6.182 4.298 ( 2.506 0.000 1.137) 2.752 4.325 ( -1.835 0.000 4.912) 5.243 4.408 ( 1.001 0.000 1.961) 2.202 4.452 ( 0.955 0.000 -3.482) 3.611 4.491 ( -1.790 0.000 1.671) 2.449 4.717 ( -1.699 0.000 -5.177) 5.449 4.829 ( 2.149 0.000 0.189) 2.158 4.865 ( 4.659 0.000 -3.063) 5.575 4.891 ( -3.464 0.000 -5.073) 6.143 4.923 ( -5.001 0.000 3.533) 6.123 5.038 ( 0.490 0.000 6.792) 6.810 5.088 ( 2.615 0.000 -1.848) 3.203 5.193 ( -1.032 0.000 -0.645) 1.217 5.254 ( -0.475 0.000 2.591) 2.634 5.405 ( 1.602 0.000 -1.280) 2.051 5.451 ( 1.551 0.000 1.028) 1.861 5.643 ( -1.281 0.000 2.851) 3.125 5.667 ( -0.839 0.000 -2.537) 2.672 5.757 ( -0.569 0.000 -0.029) 0.570 5.806 ( -0.009 0.000 -1.598) 1.598 5.818 ( -3.172 0.000 -0.972) 3.317 5.857 ( 3.062 0.000 -5.082) 5.933 5.885 ( -0.661 0.000 -0.110) 0.670 5.988 ( -1.030 0.000 3.322) 3.478 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 3.715 0.000 -3.381) 5.023 1.267 ( 7.034 0.000 0.175) 7.036 1.608 ( 1.344 0.000 8.011) 8.123 1.660 ( 0.003 0.000 -6.852) 6.852 1.994 ( -1.185 0.000 2.318) 2.604 2.023 ( -9.416 0.000 7.746) 12.192 2.200 ( -0.990 0.000 1.170) 1.533 2.222 ( -1.392 0.000 1.708) 2.203 2.367 ( 1.108 0.000 -0.552) 1.238 2.414 ( -0.701 0.000 0.879) 1.124 2.515 ( 5.120 0.000 -5.390) 7.435 2.545 ( -0.896 0.000 -4.109) 4.206 2.577 ( 3.172 0.000 4.002) 5.107 2.708 ( -1.957 0.000 1.338) 2.371 2.826 ( 4.508 0.000 1.823) 4.863 2.895 ( -1.390 0.000 0.342) 1.431 2.950 ( -1.788 0.000 -0.443) 1.842 2.977 ( 2.345 0.000 -2.000) 3.082 3.066 ( -10.108 0.000 10.001) 14.220 3.095 ( -2.274 0.000 -2.359) 3.276 3.350 ( 5.988 0.000 2.022) 6.320 3.412 ( -6.991 0.000 7.794) 10.470 3.453 ( 9.249 0.000 -16.581) 18.986 3.654 ( -3.879 0.000 -3.828) 5.450 4.290 ( -2.416 0.000 5.497) 6.004 4.335 ( 0.836 0.000 1.058) 1.348 4.429 ( 1.313 0.000 4.048) 4.256 4.485 ( 2.983 0.000 -3.632) 4.700 4.503 ( 1.670 0.000 -0.399) 1.717 4.668 ( -2.136 0.000 -5.828) 6.207 4.800 ( -2.092 0.000 -5.919) 6.277 4.813 ( -6.920 0.000 3.942) 7.964 4.886 ( 1.531 0.000 0.467) 1.601 4.933 ( 2.690 0.000 -3.717) 4.589 5.054 ( -0.379 0.000 6.575) 6.586 5.129 ( 2.006 0.000 -2.728) 3.387 5.193 ( 0.923 0.000 1.067) 1.411 5.248 ( -0.488 0.000 1.319) 1.406 5.430 ( 1.434 0.000 -1.091) 1.802 5.452 ( -1.283 0.000 1.836) 2.239 5.629 ( -0.840 0.000 3.357) 3.461 5.652 ( -0.267 0.000 -1.416) 1.441 5.722 ( -2.373 0.000 -0.489) 2.423 5.787 ( -1.376 0.000 -3.333) 3.606 5.798 ( 0.568 0.000 0.401) 0.695 5.862 ( -1.451 0.000 -0.624) 1.580 5.925 ( 4.947 0.000 -6.304) 8.013 5.961 ( -2.671 0.000 3.871) 4.703 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 0.175 0.000 1.780) 1.788 1.330 ( -3.330 0.000 -1.338) 3.589 1.577 ( -4.533 0.000 5.453) 7.091 1.687 ( 5.652 0.000 -5.010) 7.553 1.923 ( -0.800 0.000 5.448) 5.507 2.010 ( 3.458 0.000 -1.428) 3.741 2.202 ( -1.295 0.000 2.996) 3.264 2.230 ( 1.925 0.000 1.646) 2.533 2.393 ( -1.200 0.000 0.502) 1.301 2.403 ( 2.484 0.000 -0.139) 2.488 2.484 ( -5.013 0.000 0.738) 5.067 2.521 ( -3.300 0.000 -0.891) 3.418 2.648 ( 2.875 0.000 0.352) 2.896 2.677 ( -1.103 0.000 -0.076) 1.105 2.851 ( -4.846 0.000 5.073) 7.016 2.865 ( -1.582 0.000 -0.221) 1.598 2.936 ( 2.745 0.000 0.691) 2.830 2.988 ( 0.494 0.000 3.606) 3.640 3.022 ( 1.542 0.000 -2.088) 2.596 3.104 ( 5.721 0.000 -6.365) 8.558 3.280 ( -9.012 0.000 11.093) 14.293 3.467 ( 5.445 0.000 0.735) 5.495 3.557 ( -5.271 0.000 -4.490) 6.924 3.581 ( 7.222 0.000 -12.462) 14.404 4.272 ( -0.771 0.000 6.269) 6.316 4.341 ( 0.141 0.000 0.021) 0.142 4.477 ( 2.288 0.000 3.086) 3.841 4.519 ( 0.865 0.000 -3.156) 3.272 4.528 ( 0.860 0.000 -0.130) 0.870 4.608 ( -2.711 0.000 -6.490) 7.033 4.696 ( -5.570 0.000 5.370) 7.736 4.801 ( 3.556 0.000 -4.902) 6.056 4.902 ( -0.185 0.000 0.830) 0.850 4.949 ( -0.001 0.000 -3.569) 3.569 5.053 ( -1.155 0.000 6.227) 6.333 5.154 ( 1.440 0.000 -3.430) 3.720 5.222 ( 1.577 0.000 1.563) 2.220 5.237 ( -0.966 0.000 -0.200) 0.987 5.428 ( -1.377 0.000 1.815) 2.278 5.456 ( 1.495 0.000 -1.079) 1.844 5.620 ( -0.973 0.000 3.382) 3.519 5.656 ( 1.071 0.000 -0.070) 1.074 5.702 ( 0.686 0.000 0.297) 0.747 5.747 ( -1.707 0.000 -4.364) 4.686 5.817 ( 1.074 0.000 0.882) 1.390 5.835 ( -1.155 0.000 -0.761) 1.383 5.903 ( -4.274 0.000 3.913) 5.795 6.000 ( 4.010 0.000 -5.692) 6.963 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -9.767 0.000 2.667) 10.125 1.264 ( -1.436 0.000 0.460) 1.508 1.522 ( -3.307 0.000 6.409) 7.212 1.755 ( 0.612 0.000 -5.915) 5.947 1.981 ( 4.689 0.000 2.792) 5.457 2.145 ( 10.239 0.000 -2.233) 10.479 2.188 ( -0.676 0.000 2.515) 2.604 2.242 ( -2.474 0.000 5.066) 5.638 2.340 ( -5.792 0.000 0.250) 5.798 2.379 ( 0.034 0.000 -1.511) 1.511 2.433 ( -5.507 0.000 5.874) 8.052 2.481 ( 2.699 0.000 -0.933) 2.856 2.667 ( 0.193 0.000 -2.757) 2.764 2.685 ( 0.745 0.000 2.472) 2.582 2.822 ( 0.757 0.000 7.065) 7.105 2.826 ( -2.614 0.000 -1.319) 2.928 2.976 ( 2.041 0.000 -4.369) 4.822 3.025 ( 1.006 0.000 -5.672) 5.760 3.027 ( 1.517 0.000 5.533) 5.737 3.108 ( -8.940 0.000 15.903) 18.244 3.260 ( 5.570 0.000 -7.307) 9.188 3.463 ( -0.415 0.000 -8.782) 8.792 3.548 ( 2.989 0.000 -0.416) 3.018 3.667 ( 4.095 0.000 -8.614) 9.538 4.282 ( 0.238 0.000 6.518) 6.522 4.349 ( 0.681 0.000 0.031) 0.681 4.449 ( -5.000 0.000 -0.541) 5.029 4.510 ( -0.560 0.000 -3.632) 3.675 4.550 ( -1.633 0.000 -5.873) 6.095 4.576 ( 3.347 0.000 3.390) 4.764 4.671 ( 1.680 0.000 6.458) 6.673 4.875 ( -0.708 0.000 0.619) 0.941 4.891 ( 3.981 0.000 -2.724) 4.824 4.926 ( -1.529 0.000 -3.289) 3.627 5.038 ( -1.739 0.000 5.985) 6.233 5.166 ( 0.493 0.000 -3.783) 3.815 5.212 ( -1.391 0.000 -0.802) 1.606 5.258 ( 2.059 0.000 0.448) 2.107 5.409 ( -1.081 0.000 1.166) 1.590 5.477 ( 0.564 0.000 -0.753) 0.941 5.609 ( -0.721 0.000 2.670) 2.766 5.696 ( 2.895 0.000 0.759) 2.992 5.713 ( -0.793 0.000 -3.744) 3.827 5.741 ( 2.697 0.000 1.383) 3.031 5.810 ( -2.077 0.000 -0.539) 2.145 5.828 ( -3.197 0.000 3.044) 4.414 5.840 ( 1.130 0.000 1.336) 1.750 6.047 ( 1.992 0.000 -4.680) 5.086 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -4.346 0.000 9.095) 10.080 1.298 ( 4.501 0.000 -2.127) 4.978 1.460 ( -4.046 0.000 6.495) 7.653 1.705 ( -3.185 0.000 -7.593) 8.233 2.076 ( 4.314 0.000 1.162) 4.468 2.153 ( -5.664 0.000 8.290) 10.040 2.183 ( -0.314 0.000 0.531) 0.617 2.287 ( 2.555 0.000 0.958) 2.729 2.303 ( 0.631 0.000 -3.907) 3.957 2.340 ( -4.854 0.000 13.348) 14.203 2.419 ( 3.335 0.000 -1.255) 3.563 2.516 ( 1.503 0.000 -1.547) 2.157 2.665 ( 0.253 0.000 -4.815) 4.821 2.667 ( -3.701 0.000 2.818) 4.652 2.755 ( -5.037 0.000 0.080) 5.038 2.846 ( -1.274 0.000 3.386) 3.617 2.974 ( -2.230 0.000 7.991) 8.296 3.002 ( 1.535 0.000 -4.008) 4.291 3.084 ( 4.064 0.000 6.946) 8.048 3.133 ( 7.944 0.000 -3.488) 8.676 3.210 ( -6.007 0.000 -2.229) 6.407 3.575 ( -0.174 0.000 0.102) 0.201 3.576 ( 10.727 0.000 -13.408) 17.171 3.694 ( 0.229 0.000 -6.376) 6.380 4.298 ( -0.334 0.000 3.801) 3.816 4.354 ( -0.790 0.000 0.947) 1.233 4.356 ( -3.784 0.000 2.988) 4.821 4.499 ( 0.587 0.000 -5.701) 5.732 4.529 ( 0.566 0.000 -2.306) 2.374 4.640 ( 2.814 0.000 2.557) 3.802 4.751 ( 4.170 0.000 6.839) 8.010 4.826 ( -2.785 0.000 0.440) 2.820 4.877 ( -2.927 0.000 -2.826) 4.069 4.981 ( 4.421 0.000 -2.316) 4.991 5.016 ( -1.588 0.000 4.983) 5.230 5.154 ( -0.878 0.000 -3.685) 3.788 5.192 ( -0.329 0.000 -0.271) 0.427 5.300 ( 2.280 0.000 -1.902) 2.970 5.387 ( -1.594 0.000 0.482) 1.666 5.455 ( -3.116 0.000 0.245) 3.126 5.608 ( 0.043 0.000 2.849) 2.849 5.701 ( 0.465 0.000 -2.598) 2.639 5.746 ( -0.463 0.000 3.410) 3.441 5.772 ( 1.154 0.000 -1.357) 1.781 5.789 ( 1.824 0.000 0.339) 1.856 5.821 ( 1.490 0.000 0.811) 1.697 5.864 ( 0.943 0.000 1.924) 2.142 6.055 ( -0.175 0.000 -3.394) 3.399 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 3.293 0.000 14.554) 14.922 1.318 ( -4.216 0.000 14.791) 15.380 1.472 ( 5.095 0.000 -11.620) 12.688 1.631 ( -2.313 0.000 -9.693) 9.965 2.097 ( -1.397 0.000 7.959) 8.081 2.162 ( 4.850 0.000 -2.178) 5.317 2.167 ( -1.991 0.000 0.916) 2.191 2.255 ( -5.742 0.000 22.914) 23.622 2.316 ( -0.259 0.000 -1.909) 1.927 2.316 ( 1.464 0.000 -3.032) 3.367 2.459 ( 0.136 0.000 -1.172) 1.180 2.542 ( 1.811 0.000 -1.539) 2.377 2.577 ( -4.992 0.000 2.629) 5.642 2.653 ( -0.406 0.000 -5.942) 5.956 2.673 ( -2.448 0.000 1.579) 2.913 2.789 ( -3.806 0.000 -2.025) 4.311 3.008 ( 1.382 0.000 5.268) 5.446 3.018 ( 1.143 0.000 -3.446) 3.630 3.117 ( -1.748 0.000 0.067) 1.750 3.186 ( 3.735 0.000 5.704) 6.818 3.320 ( 11.554 0.000 -5.163) 12.655 3.547 ( -3.172 0.000 4.955) 5.883 3.645 ( -3.944 0.000 -5.903) 7.099 3.723 ( 7.039 0.000 -13.795) 15.487 4.271 ( -1.230 0.000 -0.371) 1.285 4.318 ( -2.941 0.000 0.860) 3.064 4.347 ( 0.248 0.000 6.964) 6.969 4.497 ( 0.216 0.000 -6.003) 6.007 4.564 ( 2.823 0.000 1.866) 3.384 4.688 ( 1.000 0.000 2.223) 2.438 4.797 ( -2.219 0.000 -0.708) 2.329 4.799 ( 0.506 0.000 -2.376) 2.430 4.852 ( 2.541 0.000 5.974) 6.492 5.009 ( 0.159 0.000 2.799) 2.803 5.032 ( 1.131 0.000 -1.405) 1.804 5.120 ( -1.971 0.000 -4.330) 4.757 5.197 ( 0.666 0.000 0.856) 1.085 5.324 ( 0.662 0.000 -3.271) 3.338 5.351 ( -1.950 0.000 0.730) 2.082 5.377 ( -4.175 0.000 0.335) 4.189 5.623 ( 0.775 0.000 3.161) 3.255 5.715 ( 0.919 0.000 -1.962) 2.167 5.738 ( 0.353 0.000 1.198) 1.249 5.802 ( 1.781 0.000 0.432) 1.833 5.806 ( 0.117 0.000 -0.963) 0.970 5.876 ( -0.256 0.000 1.318) 1.343 5.882 ( 3.777 0.000 1.278) 3.987 6.027 ( -2.119 0.000 -1.778) 2.766 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 1.856 6.485 14.785) 16.251 1.326 ( -1.956 4.123 14.569) 15.267 1.513 ( -1.441 2.880 -10.292) 10.784 1.629 ( 1.895 3.634 -12.611) 13.260 2.035 ( -0.090 -2.422 5.475) 5.987 2.121 ( 0.234 -4.087 -2.371) 4.731 2.244 ( -4.264 2.117 5.666) 7.400 2.260 ( 4.112 -2.512 5.445) 7.271 2.300 ( -0.279 -2.376 -0.441) 2.432 2.335 ( 1.429 0.744 5.954) 6.168 2.387 ( -0.589 -2.522 -0.387) 2.619 2.505 ( -2.176 -1.975 3.976) 4.944 2.522 ( 0.322 -4.181 -3.710) 5.598 2.632 ( 1.848 -0.132 -7.850) 8.066 2.728 ( 1.764 4.383 2.741) 5.463 2.806 ( -1.111 6.912 -3.317) 7.747 2.997 ( -1.853 -0.332 0.949) 2.108 3.033 ( 1.403 -0.777 -2.241) 2.756 3.115 ( 2.764 -1.286 6.442) 7.127 3.225 ( -2.066 0.434 -3.429) 4.026 3.455 ( 5.443 -1.994 -0.224) 5.801 3.489 ( -5.317 -3.402 -5.359) 8.280 3.574 ( -3.764 4.799 9.853) 11.588 3.817 ( 2.526 3.594 -11.932) 12.715 4.234 ( 0.052 -0.015 0.996) 0.998 4.252 ( -0.272 -0.266 -0.648) 0.751 4.427 ( -1.190 3.251 6.049) 6.969 4.557 ( 0.738 3.329 -5.069) 6.109 4.635 ( 1.684 -0.355 2.292) 2.867 4.675 ( -1.537 2.483 0.284) 2.934 4.785 ( 0.329 1.903 0.944) 2.149 4.831 ( 0.967 1.339 -3.520) 3.889 4.903 ( 0.784 -0.980 5.658) 5.796 4.990 ( -1.060 -1.571 -1.788) 2.605 5.071 ( 0.507 2.949 0.381) 3.016 5.089 ( -2.251 2.361 -1.502) 3.591 5.220 ( 1.769 0.069 2.203) 2.826 5.288 ( -2.295 -1.064 -3.718) 4.497 5.307 ( 1.852 -1.894 0.262) 2.662 5.332 ( -0.799 -1.704 -1.442) 2.371 5.623 ( 0.624 -2.723 3.614) 4.568 5.686 ( 0.105 -4.045 -0.922) 4.150 5.730 ( 0.027 -2.488 -1.590) 2.953 5.736 ( 0.953 -3.374 -0.603) 3.558 5.866 ( -0.217 2.012 1.436) 2.481 5.898 ( 0.505 2.053 -1.296) 2.480 5.949 ( 2.233 0.491 1.979) 3.023 5.983 ( -2.879 1.083 -1.207) 3.304 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -3.849 5.797 12.017) 13.886 1.339 ( -0.047 5.350 3.794) 6.559 1.474 ( 0.331 3.742 -0.700) 3.821 1.650 ( 3.287 4.070 -11.923) 13.020 2.035 ( -0.769 -2.001 4.037) 4.571 2.107 ( -1.926 -0.982 2.478) 3.288 2.199 ( 0.481 -4.022 -3.229) 5.180 2.265 ( -1.526 -2.324 0.056) 2.781 2.364 ( 2.497 -3.598 -0.411) 4.399 2.382 ( -0.865 -1.292 0.943) 1.819 2.394 ( 3.149 -0.568 10.396) 10.877 2.475 ( -1.106 -2.303 2.963) 3.912 2.505 ( -1.108 -2.647 -2.064) 3.535 2.645 ( 1.398 -2.376 -6.945) 7.472 2.803 ( 2.221 1.943 0.227) 2.960 2.813 ( 3.734 6.733 1.574) 7.858 2.968 ( -1.480 0.002 0.435) 1.543 3.075 ( 1.627 -2.261 1.162) 3.018 3.127 ( -3.488 0.615 -0.139) 3.545 3.187 ( -0.005 0.714 1.895) 2.026 3.314 ( -3.565 -0.914 -9.758) 10.429 3.483 ( -6.605 0.025 6.730) 9.429 3.588 ( 1.839 3.163 3.518) 5.076 3.816 ( 0.185 5.693 -9.719) 11.265 4.258 ( 2.020 -0.215 1.385) 2.459 4.272 ( 2.226 -0.329 -0.369) 2.280 4.419 ( -0.938 2.199 4.379) 4.989 4.531 ( -3.200 3.321 1.267) 4.783 4.611 ( -1.108 3.911 -3.704) 5.499 4.703 ( 2.221 0.771 0.661) 2.442 4.791 ( -0.029 -0.752 -2.777) 2.877 4.839 ( 0.781 2.382 -1.274) 2.812 4.924 ( -0.033 -3.456 4.959) 6.044 4.955 ( -1.505 -0.122 -1.609) 2.207 5.052 ( -1.747 1.454 1.177) 2.560 5.078 ( 0.383 2.953 0.251) 2.988 5.226 ( -2.638 -0.745 -2.930) 4.013 5.253 ( 0.708 0.442 2.826) 2.947 5.342 ( 1.853 -3.149 -1.963) 4.147 5.375 ( 4.205 -1.083 0.317) 4.354 5.630 ( -0.641 -2.582 2.333) 3.538 5.690 ( 0.420 -1.865 -1.362) 2.348 5.719 ( -0.039 -3.763 -1.350) 3.997 5.764 ( 1.745 -2.091 -2.108) 3.444 5.855 ( -0.802 1.199 0.793) 1.646 5.882 ( -2.561 0.590 -1.272) 2.919 5.925 ( -2.042 2.133 -1.676) 3.395 5.983 ( 0.556 -0.076 2.765) 2.822 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.688 3.966 3.782) 5.523 1.331 ( 0.346 9.112 -3.894) 9.915 1.536 ( 3.977 1.960 8.212) 9.332 1.690 ( 2.670 3.584 -8.996) 10.045 2.020 ( -2.000 -1.572 4.050) 4.782 2.074 ( -2.038 -1.970 4.260) 5.116 2.221 ( 0.478 -4.883 -1.006) 5.008 2.263 ( 2.021 -2.508 -4.138) 5.244 2.279 ( -7.899 -4.846 1.850) 9.450 2.396 ( 2.112 -0.322 -3.378) 3.996 2.469 ( 1.636 -1.626 5.100) 5.598 2.479 ( -0.696 0.187 1.645) 1.796 2.506 ( 2.310 -4.692 1.360) 5.404 2.658 ( 0.809 -4.034 -2.801) 4.978 2.787 ( -2.097 0.059 0.967) 2.310 2.910 ( 1.911 1.856 0.912) 2.816 2.930 ( -4.538 -4.287 3.032) 6.940 2.982 ( -1.664 0.456 -0.879) 1.936 3.147 ( -0.632 0.285 2.173) 2.281 3.200 ( 2.410 2.141 0.200) 3.230 3.330 ( 1.350 3.597 -0.565) 3.883 3.394 ( 1.333 3.948 -5.165) 6.637 3.568 ( -3.473 5.591 2.180) 6.934 3.786 ( -2.234 5.859 -4.481) 7.707 4.293 ( 0.798 -1.458 2.059) 2.646 4.325 ( 2.639 2.532 1.013) 3.795 4.411 ( -0.000 -1.093 1.434) 1.803 4.481 ( -1.816 5.320 3.569) 6.659 4.591 ( -0.374 6.409 -3.346) 7.240 4.725 ( -0.879 0.769 -3.469) 3.660 4.793 ( 2.405 -2.586 -2.140) 4.129 4.839 ( -1.229 -1.342 -2.477) 3.074 4.904 ( -3.298 -1.473 1.674) 3.981 4.938 ( -0.082 1.881 0.039) 1.883 5.030 ( -0.376 -0.590 3.732) 3.797 5.098 ( 1.423 1.192 -0.215) 1.869 5.190 ( -0.569 -0.536 -0.891) 1.185 5.262 ( -0.191 0.830 2.305) 2.458 5.379 ( 2.257 -2.457 -1.066) 3.503 5.436 ( 1.529 -1.250 1.107) 2.264 5.615 ( -1.166 -2.149 1.121) 2.690 5.682 ( -0.909 -0.368 -0.736) 1.226 5.731 ( 1.078 -1.981 0.054) 2.255 5.794 ( -0.356 -1.646 -1.415) 2.200 5.813 ( -1.335 -0.655 -1.567) 2.161 5.852 ( 0.750 0.541 -3.706) 3.819 5.887 ( -1.983 0.028 -2.141) 2.918 5.984 ( -1.061 -0.346 3.378) 3.558 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 5.651 2.706 -0.705) 6.305 1.363 ( 3.348 7.899 -2.115) 8.836 1.602 ( 0.645 -0.098 4.261) 4.311 1.699 ( -0.752 3.274 -3.085) 4.561 1.974 ( -4.481 -2.740 5.202) 7.392 2.022 ( -3.954 0.468 2.720) 4.822 2.152 ( -1.529 -3.764 2.185) 4.613 2.216 ( -0.874 -1.283 2.423) 2.878 2.330 ( 3.570 -4.437 -3.832) 6.864 2.412 ( -1.057 -0.448 0.052) 1.149 2.482 ( -0.482 -3.054 -1.334) 3.367 2.500 ( 2.467 -1.300 -3.407) 4.402 2.538 ( 1.032 -7.154 0.429) 7.241 2.653 ( -0.964 -5.664 2.262) 6.175 2.761 ( -0.636 -1.585 0.285) 1.731 2.806 ( -4.757 -7.434 1.214) 8.909 2.936 ( 1.163 0.591 -0.578) 1.427 3.011 ( -0.279 1.516 -0.902) 1.786 3.118 ( -0.051 6.207 4.006) 7.387 3.210 ( -2.544 5.164 1.028) 5.847 3.361 ( 4.409 2.016 4.342) 6.508 3.497 ( -3.605 6.731 3.688) 8.480 3.511 ( 7.429 6.636 -10.461) 14.445 3.711 ( -4.296 5.443 -3.264) 7.664 4.293 ( -1.167 0.558 4.371) 4.558 4.353 ( 0.572 0.820 0.593) 1.163 4.453 ( 3.368 0.468 0.749) 3.482 4.480 ( 0.875 4.832 2.657) 5.584 4.582 ( 0.036 4.627 -2.617) 5.316 4.682 ( -2.218 1.354 -4.558) 5.247 4.786 ( -4.028 -1.705 0.911) 4.468 4.795 ( -2.900 -1.072 -3.958) 5.023 4.878 ( 2.747 -1.075 -1.437) 3.281 4.938 ( -0.362 0.039 -0.648) 0.743 5.042 ( -0.034 -0.923 5.624) 5.700 5.123 ( 1.380 -0.286 -2.124) 2.549 5.200 ( 1.450 0.288 0.945) 1.755 5.259 ( -0.427 0.944 1.219) 1.600 5.420 ( 2.192 -0.847 -0.380) 2.380 5.440 ( -0.960 -1.067 1.667) 2.200 5.598 ( -0.740 -2.415 1.898) 3.159 5.663 ( -0.780 0.162 -0.709) 1.066 5.723 ( -2.616 0.107 -0.622) 2.691 5.759 ( 0.560 -3.047 1.503) 3.444 5.801 ( -2.412 1.188 -2.539) 3.698 5.844 ( -0.613 -2.108 -3.016) 3.731 5.908 ( 4.734 -1.428 -5.448) 7.357 5.956 ( -2.619 -0.579 3.431) 4.355 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.728 4.627 1.562) 5.180 1.367 ( -4.980 3.733 -0.415) 6.237 1.596 ( -3.685 1.728 4.034) 5.730 1.681 ( 5.067 -0.759 -4.152) 6.595 1.925 ( -0.184 0.141 5.083) 5.088 2.009 ( 1.999 -0.243 -1.103) 2.296 2.174 ( 0.567 -2.917 4.179) 5.128 2.204 ( -0.284 -2.416 1.936) 3.109 2.361 ( -3.995 -4.694 -0.705) 6.204 2.384 ( 2.605 -3.440 -1.872) 4.704 2.440 ( -4.079 -1.214 3.031) 5.225 2.469 ( -2.372 -3.776 1.300) 4.645 2.587 ( 2.058 -5.427 -1.091) 5.905 2.653 ( 1.329 -4.424 -4.843) 6.693 2.751 ( -1.784 -4.487 2.360) 5.374 2.784 ( 2.716 -4.908 0.028) 5.609 2.949 ( -0.368 1.471 0.872) 1.749 2.993 ( 0.425 1.700 -2.586) 3.123 3.141 ( -0.583 6.427 3.005) 7.119 3.197 ( 3.439 6.597 -2.596) 7.879 3.389 ( -6.622 8.312 8.259) 13.460 3.476 ( 3.874 2.224 2.798) 5.271 3.564 ( -3.077 2.744 -3.561) 5.448 3.679 ( 4.798 7.695 -9.679) 13.264 4.285 ( -0.544 1.248 5.547) 5.712 4.357 ( -0.051 0.847 -0.740) 1.126 4.511 ( 2.530 2.387 2.158) 4.094 4.515 ( 1.390 2.849 0.346) 3.188 4.574 ( -0.397 2.965 -1.579) 3.383 4.628 ( -2.170 1.741 -5.651) 6.298 4.684 ( -4.991 -1.076 4.974) 7.128 4.796 ( 2.986 -0.701 -5.345) 6.162 4.899 ( -1.674 -0.395 0.760) 1.880 4.941 ( 1.884 -1.047 -3.503) 4.113 5.043 ( -1.052 -0.350 6.047) 6.148 5.143 ( 1.290 -1.159 -3.266) 3.698 5.235 ( 1.584 0.765 1.393) 2.244 5.246 ( -1.137 0.869 0.163) 1.440 5.421 ( -1.223 -0.649 2.159) 2.565 5.455 ( 1.513 -0.040 -1.145) 1.898 5.598 ( -0.163 -2.091 3.542) 4.117 5.654 ( 0.448 -0.850 -1.336) 1.645 5.699 ( 0.366 -0.496 0.685) 0.921 5.742 ( -2.000 -0.436 -3.884) 4.390 5.777 ( 0.289 -2.375 2.378) 3.373 5.829 ( -0.492 -1.044 -2.502) 2.756 5.898 ( -3.978 -0.575 3.271) 5.182 5.985 ( 4.125 -1.542 -5.287) 6.881 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -8.263 4.239 2.304) 9.569 1.330 ( -1.179 6.532 1.073) 6.724 1.546 ( -2.715 2.297 5.505) 6.554 1.762 ( 0.743 0.532 -4.685) 4.773 1.974 ( 3.803 -1.094 2.701) 4.791 2.100 ( 6.495 -5.217 1.430) 8.453 2.159 ( -2.146 -2.962 1.320) 3.889 2.192 ( -2.371 -4.464 5.192) 7.246 2.289 ( -1.064 -3.151 -2.276) 4.030 2.380 ( -1.338 -2.570 0.181) 2.903 2.395 ( -1.658 -0.416 2.504) 3.032 2.484 ( 2.234 -0.785 1.375) 2.739 2.602 ( 0.486 -4.754 -3.326) 5.822 2.660 ( -0.486 -2.985 1.016) 3.190 2.759 ( 2.009 -1.961 -0.272) 2.820 2.828 ( 2.520 -4.377 0.227) 5.056 2.962 ( 1.821 -0.703 -2.271) 2.995 2.981 ( -1.850 1.602 0.953) 2.626 3.151 ( 1.195 5.265 -0.648) 5.438 3.233 ( -6.232 9.867 11.582) 16.442 3.277 ( -1.421 3.288 -2.939) 4.633 3.495 ( 0.219 3.950 -7.722) 8.676 3.546 ( 2.364 0.281 1.062) 2.607 3.761 ( 4.430 7.821 -7.048) 11.422 4.290 ( -0.578 0.826 5.166) 5.263 4.354 ( -0.079 0.629 0.076) 0.639 4.488 ( -3.634 3.218 -1.258) 5.015 4.527 ( -0.640 1.832 -1.374) 2.378 4.579 ( -0.247 3.096 -4.979) 5.868 4.618 ( 3.227 3.506 1.949) 5.148 4.660 ( 1.227 -1.142 6.736) 6.942 4.836 ( -1.793 -2.190 -0.962) 2.989 4.879 ( 3.406 -1.226 -2.605) 4.460 4.961 ( 0.525 1.360 -2.429) 2.833 5.032 ( -1.228 -0.051 5.229) 5.372 5.153 ( 0.398 -1.400 -3.344) 3.647 5.213 ( -1.833 0.169 -0.535) 1.916 5.270 ( 1.715 0.990 0.314) 2.005 5.402 ( -1.343 -0.473 1.270) 1.908 5.473 ( 0.478 -0.388 -1.125) 1.282 5.595 ( -0.636 -1.525 2.207) 2.757 5.684 ( 2.168 -2.305 -1.799) 3.640 5.709 ( 0.720 -0.135 0.419) 0.844 5.738 ( 0.959 -1.492 2.231) 2.850 5.778 ( -0.586 -1.457 1.375) 2.087 5.804 ( -1.868 -0.443 -0.351) 1.951 5.848 ( -0.498 -0.543 0.331) 0.808 6.036 ( 2.205 -1.233 -4.329) 5.012 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -3.280 6.844 8.267) 11.222 1.366 ( 4.479 6.606 -1.984) 8.224 1.489 ( -4.300 2.944 7.034) 8.754 1.711 ( -3.292 0.473 -6.424) 7.234 2.044 ( 0.848 -3.669 4.070) 5.545 2.082 ( -2.104 -4.266 4.472) 6.529 2.147 ( 0.159 -4.378 0.438) 4.403 2.253 ( 2.948 -3.066 1.699) 4.580 2.293 ( 0.812 -1.229 -1.315) 1.975 2.370 ( -1.387 0.417 2.464) 2.858 2.398 ( 2.787 -0.290 2.472) 3.736 2.503 ( -0.605 -1.532 0.330) 1.681 2.595 ( -0.773 -4.405 -2.859) 5.308 2.637 ( -1.614 -4.038 -2.058) 4.810 2.781 ( -0.775 1.642 1.999) 2.701 2.908 ( 0.452 3.123 2.932) 4.308 2.965 ( 5.284 -2.670 -0.479) 5.939 2.997 ( 2.827 -0.946 -2.523) 3.906 3.070 ( -6.855 7.585 10.227) 14.461 3.194 ( -5.375 -1.189 -3.093) 6.315 3.240 ( 3.409 4.717 -1.571) 6.028 3.563 ( 6.420 2.520 -7.307) 10.048 3.573 ( 0.738 -0.277 -0.966) 1.247 3.800 ( 0.864 7.630 -5.540) 9.469 4.276 ( -1.670 -0.973 3.080) 3.636 4.341 ( -2.236 2.558 0.109) 3.399 4.437 ( -0.758 2.057 2.640) 3.432 4.509 ( -0.320 1.285 -2.049) 2.440 4.580 ( 1.207 4.817 -4.387) 6.627 4.674 ( 2.094 2.776 2.278) 4.157 4.734 ( 3.595 -1.879 6.187) 7.399 4.787 ( -1.739 -1.079 -0.328) 2.072 4.923 ( -0.660 1.769 -2.629) 3.237 4.968 ( 1.744 -0.453 -0.279) 1.823 5.030 ( 0.441 1.086 3.001) 3.222 5.145 ( -0.267 -1.069 -3.408) 3.582 5.185 ( -0.762 -0.439 -0.439) 0.983 5.302 ( 1.626 0.211 -1.631) 2.312 5.368 ( -2.438 -1.236 -0.007) 2.733 5.456 ( -2.385 -0.337 -0.741) 2.521 5.592 ( -0.155 -1.439 2.466) 2.859 5.695 ( 0.428 -2.004 -1.581) 2.589 5.706 ( -2.461 -3.975 3.498) 5.839 5.763 ( -0.405 -1.007 -1.001) 1.476 5.776 ( 3.690 -0.813 1.708) 4.146 5.827 ( 2.739 2.120 1.460) 3.759 5.863 ( 1.560 -0.420 -0.626) 1.733 6.050 ( 0.182 -0.667 -3.221) 3.294 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 3.078 7.373 12.983) 15.244 1.369 ( -5.235 4.784 14.986) 16.580 1.506 ( 5.063 3.583 -10.825) 12.476 1.644 ( -1.506 1.368 -9.515) 9.730 2.024 ( -0.917 -4.064 6.735) 7.919 2.114 ( 1.375 -3.775 -1.874) 4.433 2.170 ( 2.766 -3.206 2.322) 4.830 2.285 ( 0.555 -1.046 6.534) 6.641 2.302 ( 0.025 0.239 -0.522) 0.574 2.340 ( -3.134 2.397 6.484) 7.590 2.421 ( -2.017 -2.673 0.038) 3.349 2.500 ( 1.641 -2.878 -1.476) 3.627 2.552 ( -3.071 -3.496 1.101) 4.781 2.618 ( 0.851 -1.041 -6.890) 7.020 2.736 ( -2.888 3.961 3.968) 6.307 2.867 ( -3.809 6.845 -1.830) 8.044 3.004 ( 0.491 -0.379 -1.470) 1.595 3.036 ( 1.821 1.534 5.936) 6.395 3.078 ( -3.604 -1.455 1.462) 4.152 3.186 ( 8.896 -0.945 -0.757) 8.978 3.305 ( 4.609 -1.313 -4.299) 6.438 3.575 ( -0.516 0.123 0.764) 0.930 3.629 ( -0.927 1.621 -1.154) 2.195 3.788 ( 1.388 5.164 -9.380) 10.797 4.248 ( -1.576 -1.416 1.572) 2.639 4.284 ( -2.752 2.173 -0.902) 3.621 4.438 ( -1.129 3.462 6.571) 7.512 4.530 ( 3.100 -0.059 -5.078) 5.950 4.593 ( 0.961 4.040 -0.265) 4.162 4.702 ( -0.126 1.627 2.044) 2.615 4.764 ( 0.975 -0.570 0.295) 1.167 4.816 ( 2.026 -0.283 1.885) 2.781 4.889 ( -1.146 3.819 0.503) 4.019 4.992 ( 0.767 -1.493 0.035) 1.678 5.054 ( 0.970 1.848 0.829) 2.246 5.131 ( -0.765 1.143 -4.171) 4.391 5.187 ( 1.032 -1.115 0.974) 1.805 5.307 ( -1.460 -1.512 -0.281) 2.121 5.322 ( -1.083 -1.514 -2.254) 2.923 5.387 ( -3.948 0.024 -0.969) 4.065 5.602 ( 0.596 -2.100 3.360) 4.007 5.687 ( -0.335 -5.253 1.313) 5.424 5.707 ( 1.120 -1.696 -0.554) 2.107 5.748 ( -0.665 -2.539 -1.151) 2.866 5.844 ( 2.379 1.405 0.912) 2.909 5.880 ( 1.866 1.317 2.371) 3.293 5.895 ( 2.415 1.061 -1.113) 2.863 6.030 ( -1.611 0.161 -2.011) 2.582 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.915 9.586 11.399) 14.922 1.442 ( -0.724 8.017 9.759) 12.650 1.602 ( -1.518 6.086 -6.698) 9.176 1.702 ( 3.722 3.160 -11.838) 12.805 2.002 ( -0.232 -1.530 1.291) 2.016 2.026 ( 0.886 -4.546 -1.092) 4.758 2.132 ( 3.678 -8.299 5.129) 10.426 2.199 ( -2.293 -7.447 -2.072) 8.063 2.263 ( -2.419 -1.514 5.122) 5.864 2.365 ( 1.924 -1.009 -3.362) 4.002 2.378 ( -0.966 1.714 4.759) 5.150 2.443 ( -1.048 -2.038 -1.779) 2.901 2.477 ( 0.491 -0.834 2.458) 2.642 2.598 ( -0.486 -2.351 -7.616) 7.985 2.873 ( 0.436 9.154 5.011) 10.445 2.930 ( -1.241 4.749 -0.117) 4.910 2.984 ( -1.876 -0.414 0.449) 1.972 3.028 ( 0.042 0.971 -2.465) 2.650 3.120 ( 2.206 1.009 7.031) 7.438 3.229 ( -0.996 -0.165 -2.245) 2.462 3.399 ( 8.596 -3.233 -1.824) 9.364 3.410 ( -7.222 -3.776 -3.482) 8.862 3.684 ( -3.603 5.726 10.268) 12.297 3.868 ( 2.154 1.094 -6.945) 7.353 4.282 ( 1.916 4.111 0.357) 4.550 4.302 ( -2.559 5.036 -1.899) 5.960 4.465 ( -1.183 1.242 4.296) 4.625 4.550 ( 2.327 -2.155 -3.605) 4.802 4.648 ( -0.920 1.704 3.286) 3.814 4.719 ( 0.170 0.511 -3.315) 3.359 4.764 ( 0.772 -3.856 7.641) 8.593 4.862 ( -0.409 -0.251 -2.271) 2.321 4.950 ( -1.033 5.051 -0.082) 5.156 4.980 ( 1.106 1.868 -2.328) 3.183 5.115 ( -1.931 1.457 2.171) 3.251 5.150 ( -0.540 3.085 -1.361) 3.415 5.221 ( 3.263 -0.335 -0.633) 3.341 5.245 ( -1.498 -2.684 -3.393) 4.578 5.283 ( 0.456 0.668 0.996) 1.283 5.318 ( -1.496 0.331 -2.027) 2.541 5.521 ( 0.092 -7.386 3.721) 8.271 5.574 ( 0.787 -6.541 -0.152) 6.590 5.674 ( -0.024 -2.317 -1.312) 2.662 5.701 ( 1.575 -1.878 -3.322) 4.128 5.903 ( -0.142 1.647 1.313) 2.111 5.926 ( 0.295 0.980 -0.693) 1.236 5.973 ( 1.270 1.817 1.472) 2.661 6.005 ( -1.660 1.093 -1.612) 2.559 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -4.058 9.479 8.009) 13.056 1.474 ( 2.403 8.374 5.121) 10.106 1.577 ( 0.569 6.522 -3.488) 7.418 1.743 ( 3.230 4.455 -11.592) 12.832 1.979 ( -1.664 -3.377 0.941) 3.880 2.049 ( 1.038 -3.728 -1.341) 4.095 2.117 ( -3.213 -5.506 -2.214) 6.749 2.219 ( -1.663 -3.394 2.148) 4.347 2.231 ( 2.653 -7.970 5.026) 9.789 2.350 ( -3.516 0.362 1.312) 3.770 2.408 ( 2.229 -2.953 2.009) 4.210 2.438 ( 1.068 0.943 -0.785) 1.627 2.484 ( -0.395 -0.237 1.851) 1.908 2.571 ( -0.409 -4.084 -6.999) 8.114 2.830 ( -3.309 1.559 1.268) 3.872 2.934 ( 0.286 2.521 5.332) 5.905 2.960 ( -2.695 0.604 -0.948) 2.921 3.023 ( -3.124 -2.812 2.095) 4.696 3.145 ( -2.423 1.077 -0.053) 2.652 3.192 ( 0.462 -1.378 4.624) 4.847 3.354 ( 5.424 5.495 -8.840) 11.737 3.483 ( 0.314 2.217 1.886) 2.927 3.687 ( 1.205 5.619 7.551) 9.489 3.896 ( 1.406 1.422 -5.275) 5.641 4.267 ( -0.244 2.514 -0.071) 2.527 4.338 ( 3.097 5.022 0.461) 5.918 4.434 ( -2.493 0.328 2.610) 3.624 4.589 ( 2.195 0.022 -2.752) 3.520 4.626 ( -0.750 2.002 0.671) 2.241 4.732 ( 0.477 -1.646 -0.292) 1.739 4.778 ( -0.841 -1.391 4.418) 4.707 4.833 ( -1.154 -2.486 -1.537) 3.142 4.930 ( -1.107 5.506 -0.983) 5.701 4.987 ( -0.302 3.050 -1.091) 3.254 5.069 ( -3.083 0.564 2.642) 4.099 5.124 ( -1.303 -0.019 -0.605) 1.436 5.199 ( -2.089 -1.514 -3.021) 3.973 5.270 ( 1.270 0.947 0.507) 1.663 5.289 ( 1.671 -0.750 0.086) 1.833 5.363 ( 3.823 0.161 -0.092) 3.827 5.544 ( 1.371 -6.378 2.676) 7.051 5.589 ( 0.569 -6.631 0.506) 6.675 5.672 ( 1.345 -1.561 -4.183) 4.663 5.737 ( 2.285 -1.333 -3.372) 4.286 5.880 ( -2.329 1.269 1.152) 2.891 5.896 ( -2.976 0.696 -1.342) 3.338 5.964 ( -2.396 1.761 -1.945) 3.554 5.988 ( -0.171 0.579 2.360) 2.436 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -2.699 8.615 2.810) 9.455 1.531 ( 1.737 10.582 -3.002) 11.136 1.596 ( 1.702 4.186 4.505) 6.380 1.771 ( 1.526 3.769 -7.847) 8.838 1.948 ( -2.178 -4.466 2.813) 5.710 2.033 ( -1.316 -2.953 -1.711) 3.658 2.109 ( 2.538 -5.242 -3.621) 6.858 2.174 ( -3.829 -4.205 2.596) 6.252 2.254 ( -2.949 -3.038 0.101) 4.234 2.306 ( 1.308 -4.403 3.294) 5.652 2.442 ( 0.437 -2.581 0.113) 2.620 2.459 ( 0.386 -0.541 -3.854) 3.911 2.470 ( -0.321 -1.396 3.832) 4.091 2.555 ( -1.100 -5.519 -2.004) 5.974 2.769 ( -3.176 -1.195 2.234) 4.063 2.839 ( -8.424 -2.960 0.094) 8.930 2.936 ( -1.179 -0.492 -0.111) 1.283 2.991 ( 3.233 -0.572 2.285) 4.000 3.154 ( 1.149 0.777 -0.602) 1.512 3.231 ( 1.827 -0.211 3.002) 3.520 3.441 ( 1.495 9.059 7.689) 11.976 3.533 ( 7.323 9.473 -8.031) 14.417 3.695 ( -1.656 6.575 1.610) 6.969 3.882 ( -2.253 2.934 -0.502) 3.733 4.290 ( 2.110 1.088 1.485) 2.801 4.361 ( -1.742 0.380 1.532) 2.350 4.433 ( 3.212 4.247 0.999) 5.418 4.603 ( -0.227 6.112 1.678) 6.342 4.639 ( 1.229 -0.761 -4.645) 4.865 4.725 ( -0.910 -2.301 0.472) 2.519 4.758 ( -0.433 -0.841 -1.056) 1.418 4.823 ( -0.996 -2.924 -0.193) 3.095 4.901 ( -1.550 4.903 -1.136) 5.267 4.942 ( -3.778 -1.923 -0.150) 4.242 5.033 ( -0.808 1.481 2.526) 3.038 5.119 ( 0.646 -0.201 -0.167) 0.697 5.171 ( -0.295 -1.143 -0.750) 1.398 5.278 ( -0.352 0.230 0.767) 0.874 5.341 ( 3.408 -0.162 0.877) 3.523 5.417 ( 1.365 -0.488 0.960) 1.738 5.562 ( -0.308 -3.485 0.997) 3.638 5.608 ( 1.382 -6.084 1.295) 6.372 5.708 ( 2.408 -1.044 -3.308) 4.223 5.764 ( 1.274 -1.152 -3.865) 4.230 5.809 ( -4.080 0.436 -0.514) 4.135 5.855 ( -0.680 -0.559 -2.194) 2.364 5.902 ( -3.569 1.714 -1.968) 4.422 5.976 ( -1.573 -0.513 2.459) 2.964 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 4.133 5.701 0.719) 7.078 1.538 ( 0.207 9.405 -2.637) 9.770 1.610 ( -2.160 0.842 2.741) 3.590 1.750 ( -3.448 0.673 -2.183) 4.136 1.916 ( -1.060 -1.987 4.851) 5.348 2.022 ( -0.242 -0.587 -2.945) 3.013 2.082 ( -2.513 -3.104 3.211) 5.125 2.181 ( 2.404 -3.135 0.312) 3.963 2.219 ( 0.252 -5.605 -4.155) 6.982 2.342 ( 1.062 -5.990 1.678) 6.311 2.393 ( -4.714 -6.689 -3.084) 8.745 2.448 ( 0.274 -0.123 0.715) 0.775 2.481 ( -2.244 -1.852 1.783) 3.413 2.521 ( 0.611 -5.786 -0.487) 5.838 2.725 ( -0.788 -1.117 0.408) 1.426 2.753 ( -1.630 0.143 0.042) 1.636 2.952 ( 2.288 0.975 -0.269) 2.502 3.045 ( 1.297 1.318 -0.927) 2.068 3.173 ( 1.648 -0.141 1.482) 2.221 3.258 ( 0.186 -0.001 1.428) 1.440 3.476 ( 0.894 9.746 8.175) 12.752 3.629 ( 0.212 7.429 -5.235) 9.090 3.684 ( 3.793 9.093 -1.575) 9.977 3.819 ( -3.933 4.347 1.806) 6.134 4.322 ( -0.321 2.418 2.389) 3.414 4.344 ( 0.922 -0.756 1.096) 1.619 4.509 ( 3.672 4.509 1.393) 5.980 4.603 ( 0.183 6.946 2.114) 7.263 4.627 ( -0.897 -0.202 -3.295) 3.421 4.701 ( -1.423 -0.416 -0.910) 1.740 4.752 ( -3.788 -1.296 0.051) 4.004 4.770 ( -0.698 -1.852 -5.697) 6.031 4.883 ( 0.759 2.479 -1.510) 3.000 4.903 ( -0.965 -3.928 1.449) 4.296 5.037 ( 0.418 1.041 3.002) 3.205 5.125 ( -0.296 0.186 -0.664) 0.750 5.190 ( 2.138 -1.381 1.276) 2.847 5.268 ( -0.518 -0.541 0.206) 0.777 5.411 ( 3.180 0.260 0.936) 3.325 5.423 ( -0.436 -0.272 2.417) 2.471 5.547 ( -1.186 -2.897 0.404) 3.156 5.625 ( -0.219 -4.276 0.287) 4.291 5.710 ( -1.972 -0.655 0.188) 2.087 5.734 ( -0.773 -0.229 -1.089) 1.355 5.795 ( -0.429 -1.672 -4.399) 4.725 5.832 ( -1.911 1.486 -1.448) 2.820 5.876 ( 3.353 -1.739 -4.513) 5.885 5.939 ( -2.862 -1.199 2.330) 3.881 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -1.214 4.080 2.789) 5.089 1.477 ( -0.948 6.850 -1.190) 7.017 1.624 ( 2.123 0.323 1.809) 2.808 1.660 ( -1.749 -0.541 -1.897) 2.636 1.923 ( -0.115 -0.386 4.737) 4.754 1.990 ( -2.302 -1.980 2.824) 4.147 2.098 ( 1.331 -4.224 1.836) 4.794 2.161 ( -2.547 -2.037 -0.399) 3.286 2.226 ( -2.503 -7.614 0.814) 8.056 2.299 ( 0.611 -4.166 -3.626) 5.557 2.389 ( 0.714 -3.915 0.985) 4.100 2.457 ( 0.175 -0.516 3.545) 3.586 2.474 ( 3.369 -4.779 -6.315) 8.606 2.543 ( 1.601 -3.342 -4.309) 5.683 2.721 ( -1.582 0.208 2.157) 2.683 2.744 ( 1.484 -0.397 -0.550) 1.632 2.988 ( 0.384 2.672 0.980) 2.872 3.036 ( -0.686 2.693 -2.919) 4.030 3.213 ( 0.261 0.336 2.630) 2.664 3.260 ( 1.708 -0.385 -1.646) 2.403 3.506 ( 0.038 6.507 5.349) 8.423 3.600 ( -0.703 8.323 -1.916) 8.569 3.686 ( -5.461 8.141 5.877) 11.429 3.820 ( 4.747 5.716 -4.771) 8.830 4.324 ( 0.322 3.089 2.613) 4.059 4.362 ( 0.402 0.190 -0.441) 0.626 4.554 ( 0.460 1.886 2.645) 3.280 4.609 ( -0.316 0.277 0.617) 0.746 4.621 ( -0.361 6.132 0.064) 6.143 4.667 ( -2.491 0.027 1.066) 2.710 4.679 ( -0.698 3.339 -2.390) 4.165 4.767 ( 1.741 -2.416 -6.213) 6.890 4.882 ( -1.667 -1.538 1.262) 2.595 4.909 ( 1.501 -1.917 -0.959) 2.617 5.058 ( 0.878 2.062 2.628) 3.454 5.113 ( -0.177 -1.668 -1.658) 2.359 5.231 ( 0.785 -1.255 1.695) 2.250 5.264 ( 0.345 0.531 -0.999) 1.183 5.411 ( -0.545 -0.143 3.115) 3.165 5.457 ( 0.745 0.300 -0.881) 1.192 5.544 ( 1.106 -3.443 3.340) 4.923 5.600 ( -1.864 -4.307 -1.315) 4.874 5.688 ( -0.152 -0.398 0.689) 0.810 5.718 ( -0.896 -1.597 -2.411) 3.027 5.776 ( 0.440 1.767 0.114) 1.825 5.812 ( -0.462 -0.253 -3.015) 3.061 5.880 ( -3.730 -1.322 1.862) 4.374 5.943 ( 4.000 -2.719 -4.262) 6.447 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -4.835 6.531 1.902) 8.346 1.490 ( -0.710 9.173 1.858) 9.386 1.602 ( -0.762 3.428 3.287) 4.810 1.750 ( 2.746 -2.831 -1.789) 4.331 1.924 ( 0.633 -4.173 3.462) 5.459 1.973 ( 0.216 -5.925 8.068) 10.013 2.075 ( -3.183 -4.675 -1.798) 5.935 2.142 ( 1.276 -0.453 0.132) 1.361 2.215 ( 1.312 -4.948 -0.172) 5.122 2.326 ( 2.030 -2.893 -0.539) 3.575 2.373 ( -1.477 -1.887 -1.490) 2.822 2.480 ( 0.987 1.422 2.147) 2.758 2.532 ( 1.633 -5.007 -2.108) 5.673 2.568 ( 1.976 -4.665 -6.140) 7.960 2.731 ( 4.391 -0.528 -1.435) 4.650 2.763 ( 0.626 -1.154 -0.064) 1.314 2.971 ( -1.099 1.627 -1.412) 2.418 3.017 ( -1.662 1.925 0.781) 2.660 3.204 ( -0.788 -0.259 -1.070) 1.355 3.287 ( 0.176 -1.090 -1.143) 1.589 3.464 ( -6.716 10.723 8.637) 15.319 3.597 ( -2.213 5.754 4.525) 7.647 3.625 ( 2.560 8.662 -4.011) 9.883 3.897 ( 3.536 5.014 -3.638) 7.133 4.333 ( -0.301 4.036 1.581) 4.345 4.363 ( 0.339 0.300 -0.699) 0.832 4.538 ( -3.877 0.634 1.174) 4.100 4.560 ( -2.068 2.122 -0.170) 2.968 4.624 ( 1.273 -1.539 5.373) 5.732 4.668 ( 0.408 5.108 -3.643) 6.287 4.686 ( 1.567 2.388 1.347) 3.158 4.808 ( 2.065 -1.454 -3.572) 4.374 4.863 ( 0.956 0.340 0.063) 1.017 4.933 ( 1.417 -3.571 -0.324) 3.855 5.065 ( -0.362 2.580 0.584) 2.670 5.118 ( 0.396 -1.306 -1.045) 1.719 5.218 ( -1.356 0.114 -1.598) 2.099 5.277 ( 0.978 -0.636 -0.414) 1.238 5.407 ( -0.977 1.309 2.077) 2.642 5.460 ( -0.202 -0.925 -0.914) 1.316 5.548 ( -1.139 -3.800 0.142) 3.970 5.595 ( 0.597 -5.036 3.796) 6.335 5.696 ( -0.085 -1.323 0.963) 1.639 5.715 ( 1.398 -0.424 -0.913) 1.723 5.773 ( -1.342 -0.133 -1.412) 1.952 5.815 ( 0.369 0.827 0.710) 1.151 5.833 ( 0.830 0.160 -0.884) 1.224 5.998 ( 2.611 -2.567 -3.409) 5.003 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.590 10.160 6.314) 11.977 1.520 ( 3.736 8.203 -1.228) 9.097 1.568 ( -4.536 5.132 8.176) 10.666 1.719 ( -2.294 0.398 -3.508) 4.210 1.961 ( 0.817 -5.035 2.885) 5.861 2.010 ( 0.259 -3.766 4.091) 5.567 2.030 ( 0.662 -6.184 -1.504) 6.398 2.195 ( 3.258 -1.921 1.796) 4.187 2.242 ( 1.018 -4.414 0.409) 4.548 2.345 ( -0.801 -2.338 -1.457) 2.869 2.378 ( 3.366 -3.200 -0.483) 4.670 2.494 ( -0.190 2.344 0.697) 2.453 2.504 ( -3.617 -5.111 0.954) 6.334 2.587 ( 2.033 -1.184 -7.065) 7.446 2.781 ( 1.597 -0.510 0.952) 1.928 2.896 ( 11.399 -3.542 -3.826) 12.535 2.948 ( -0.083 -0.126 -0.892) 0.904 2.996 ( -0.193 1.028 1.028) 1.466 3.158 ( -3.938 -0.680 -1.170) 4.164 3.273 ( -2.627 3.071 1.259) 4.233 3.318 ( -7.941 10.067 7.173) 14.692 3.580 ( -0.912 2.038 -0.930) 2.418 3.686 ( 3.429 8.281 -0.032) 8.963 3.920 ( -0.615 4.015 -3.115) 5.119 4.309 ( -2.114 3.537 -0.323) 4.133 4.382 ( 1.267 0.731 -0.132) 1.469 4.453 ( -3.510 1.619 0.603) 3.912 4.542 ( -1.083 1.916 1.376) 2.595 4.660 ( 0.622 1.246 -0.116) 1.397 4.671 ( 0.404 -1.480 4.674) 4.920 4.718 ( 2.042 0.250 -0.390) 2.094 4.821 ( 0.940 2.096 -0.007) 2.297 4.911 ( 2.551 -0.592 -1.112) 2.845 4.975 ( 2.968 -0.448 -2.574) 3.954 5.061 ( 0.323 2.500 0.733) 2.625 5.117 ( 0.320 -0.921 -1.032) 1.419 5.190 ( -0.954 0.815 -2.789) 3.058 5.296 ( 0.749 -1.394 -0.923) 1.832 5.370 ( -3.040 1.866 -0.764) 3.648 5.435 ( -2.022 -1.639 -1.229) 2.879 5.548 ( 0.585 -5.224 2.325) 5.748 5.578 ( -3.262 -4.517 4.895) 7.417 5.669 ( -1.531 -1.807 -1.329) 2.716 5.735 ( -1.013 -1.658 -0.549) 2.019 5.787 ( 4.175 1.077 1.095) 4.448 5.846 ( 3.003 -0.593 -0.580) 3.116 5.882 ( 3.076 2.743 -0.163) 4.125 6.027 ( 1.087 -1.686 -2.526) 3.226 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 2.779 11.245 10.009) 15.309 1.481 ( -5.343 6.627 12.208) 14.883 1.603 ( 4.047 5.749 -6.962) 9.894 1.682 ( -0.211 2.446 -8.044) 8.410 1.975 ( 1.101 -1.269 2.606) 3.101 2.027 ( 0.318 -4.915 0.833) 4.995 2.060 ( 2.383 -7.509 2.500) 8.266 2.233 ( -0.519 -6.421 -0.599) 6.469 2.259 ( 1.153 -1.503 4.311) 4.709 2.344 ( 1.029 -0.984 -1.914) 2.386 2.415 ( -2.092 -2.422 0.113) 3.203 2.445 ( -0.043 -3.684 2.998) 4.750 2.481 ( -1.057 1.042 -1.434) 2.064 2.608 ( 1.448 -0.472 -8.063) 8.205 2.816 ( 2.146 4.063 2.764) 5.362 2.951 ( 0.778 0.587 0.005) 0.974 3.009 ( 1.746 0.161 -1.257) 2.157 3.065 ( -4.295 -0.641 -1.305) 4.535 3.139 ( -6.993 10.313 9.761) 15.828 3.152 ( 11.758 -1.652 -1.484) 11.965 3.278 ( -0.131 -1.844 -2.790) 3.347 3.536 ( -3.915 -1.761 -2.086) 4.773 3.725 ( -0.839 5.920 5.567) 8.170 3.875 ( -1.884 3.058 -5.162) 6.289 4.272 ( -1.073 2.737 -0.332) 2.958 4.361 ( -2.680 5.453 -1.829) 6.346 4.453 ( 1.440 -1.115 3.336) 3.800 4.528 ( 0.099 1.056 -0.723) 1.284 4.649 ( -0.366 1.428 0.174) 1.484 4.715 ( 1.771 -1.625 6.020) 6.482 4.740 ( 0.041 -1.341 -0.509) 1.435 4.848 ( 1.687 0.937 -0.499) 1.993 4.947 ( 1.650 1.018 -1.600) 2.514 4.985 ( -1.022 3.037 -1.528) 3.550 5.100 ( 2.484 2.447 1.415) 3.764 5.149 ( 3.543 -0.252 -3.158) 4.753 5.169 ( -0.764 0.918 -1.198) 1.691 5.286 ( -1.597 -2.364 -1.508) 3.227 5.305 ( -2.986 1.718 -0.834) 3.544 5.381 ( -3.318 -0.412 -1.782) 3.789 5.529 ( -2.072 -6.541 4.806) 8.377 5.564 ( 0.353 -5.671 1.366) 5.844 5.657 ( 0.810 -2.436 -1.746) 3.105 5.712 ( -1.144 -1.996 -1.335) 2.660 5.868 ( 3.400 1.283 1.447) 3.911 5.901 ( 2.382 0.607 -0.375) 2.487 5.935 ( 2.447 2.693 0.324) 3.653 6.029 ( -0.378 -0.338 -1.811) 1.881 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -0.044 8.231 6.708) 10.618 1.628 ( 1.000 9.856 4.384) 10.833 1.694 ( 1.393 -1.700 -3.377) 4.030 1.728 ( 0.461 1.842 -4.740) 5.106 1.944 ( 0.915 -3.489 2.114) 4.181 1.959 ( 1.378 -4.910 0.920) 5.182 2.010 ( 2.230 -0.882 0.944) 2.578 2.053 ( -2.079 -6.117 -2.107) 6.796 2.245 ( -1.816 0.592 1.763) 2.600 2.297 ( 0.189 -4.381 -3.109) 5.375 2.403 ( 1.210 1.209 1.373) 2.193 2.422 ( 2.021 -0.893 -0.003) 2.210 2.509 ( -1.464 2.761 -1.081) 3.306 2.556 ( -1.725 -2.156 -4.936) 5.656 2.968 ( -1.041 1.972 0.730) 2.346 2.993 ( -2.900 1.074 -1.503) 3.438 3.011 ( 1.880 1.539 0.964) 2.614 3.025 ( -0.982 -1.347 -0.487) 1.736 3.178 ( -5.317 4.490 5.546) 8.899 3.221 ( -1.527 -0.474 0.953) 1.862 3.349 ( 8.347 -0.875 0.270) 8.398 3.367 ( 0.233 -1.727 -0.682) 1.871 3.780 ( -2.217 4.267 6.857) 8.375 3.849 ( -0.392 -2.771 0.541) 2.851 4.369 ( 1.735 4.364 1.154) 4.837 4.396 ( -1.660 3.092 -1.076) 3.671 4.480 ( -0.310 0.308 0.247) 0.502 4.510 ( 0.061 -2.108 -1.654) 2.680 4.685 ( -0.573 0.793 2.195) 2.403 4.701 ( -0.762 -1.337 4.376) 4.639 4.718 ( 1.065 1.481 -2.188) 2.849 4.798 ( 1.405 -5.071 -3.895) 6.547 5.031 ( -0.232 2.872 -0.272) 2.894 5.044 ( 1.285 2.353 -1.926) 3.302 5.132 ( -1.612 0.728 4.771) 5.088 5.161 ( -3.448 -1.227 3.594) 5.129 5.205 ( 0.914 1.189 -2.593) 2.995 5.251 ( 1.002 -0.330 -5.121) 5.228 5.306 ( -1.550 1.284 0.821) 2.174 5.343 ( 1.202 1.271 -2.823) 3.321 5.397 ( -0.215 -3.054 3.497) 4.647 5.453 ( 0.528 -5.511 -1.159) 5.656 5.646 ( 0.797 -0.396 -2.334) 2.498 5.662 ( 1.667 -1.823 -3.523) 4.303 5.928 ( -0.009 0.900 0.868) 1.250 5.936 ( 0.033 0.026 0.131) 0.138 6.006 ( 0.354 1.321 0.259) 1.392 6.018 ( -0.525 0.072 -0.920) 1.062 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -1.740 9.036 4.076) 10.064 1.649 ( 0.873 8.730 1.959) 8.990 1.690 ( -0.074 2.798 -2.931) 4.053 1.745 ( 1.493 -3.607 -4.996) 6.340 1.952 ( -0.049 -1.698 -0.174) 1.708 1.964 ( -0.350 -5.308 -2.014) 5.688 2.022 ( 0.607 -1.001 -2.725) 2.966 2.075 ( 2.633 -5.272 1.769) 6.153 2.205 ( -2.741 1.931 2.789) 4.361 2.299 ( 0.334 -6.567 -0.572) 6.600 2.398 ( -1.781 3.116 -0.270) 3.600 2.445 ( 0.531 -1.162 -3.577) 3.798 2.491 ( -1.012 1.055 1.950) 2.437 2.518 ( -1.230 -1.748 -1.705) 2.734 2.879 ( -7.104 3.531 1.620) 8.096 2.931 ( -3.236 -0.179 0.840) 3.348 2.942 ( -5.492 -2.317 1.841) 6.238 2.972 ( -5.519 -3.523 0.618) 6.577 3.162 ( -0.206 0.794 1.690) 1.878 3.173 ( 1.479 -0.398 3.766) 4.066 3.486 ( 9.960 6.623 -2.858) 12.298 3.541 ( 8.758 1.428 -1.063) 8.937 3.782 ( 0.383 4.334 7.429) 8.609 3.865 ( 0.989 -3.930 2.458) 4.740 4.334 ( -2.131 3.842 -0.522) 4.424 4.393 ( -1.956 -1.365 0.623) 2.465 4.480 ( 2.585 5.511 -0.030) 6.087 4.561 ( 3.433 -1.934 -0.276) 3.950 4.663 ( -0.903 -0.179 0.516) 1.055 4.690 ( -1.052 -3.315 3.619) 5.019 4.737 ( 0.730 1.845 -1.886) 2.737 4.794 ( -0.921 -2.706 -4.512) 5.341 5.011 ( -2.286 2.034 -0.485) 3.098 5.043 ( -2.028 -0.249 -2.768) 3.441 5.085 ( -2.869 1.399 3.142) 4.479 5.098 ( -2.341 0.507 4.512) 5.109 5.194 ( -1.112 1.793 -1.714) 2.718 5.263 ( 0.486 -2.697 -1.627) 3.187 5.323 ( 2.471 3.652 0.876) 4.495 5.389 ( 3.022 2.254 -1.042) 3.912 5.417 ( 2.030 -5.613 3.076) 6.715 5.468 ( 1.244 -5.414 -0.901) 5.628 5.666 ( 2.302 1.020 -4.403) 5.072 5.701 ( 2.800 -2.208 -4.202) 5.511 5.899 ( -2.981 0.668 0.533) 3.101 5.905 ( -3.102 0.104 -0.395) 3.129 5.990 ( -2.162 0.926 -0.722) 2.460 5.997 ( -1.329 0.193 0.660) 1.497 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -4.347 10.292 1.670) 11.296 1.662 ( -2.840 -0.787 0.887) 3.078 1.691 ( 1.796 5.168 -2.219) 5.904 1.742 ( -0.475 -4.193 -3.060) 5.212 1.945 ( -0.166 1.707 0.372) 1.755 1.982 ( 3.012 -1.474 -7.189) 7.932 2.037 ( 1.228 -0.754 -2.970) 3.300 2.105 ( -0.319 -6.006 1.480) 6.194 2.157 ( -2.717 2.553 4.054) 5.507 2.296 ( -1.358 -9.014 0.669) 9.141 2.353 ( -2.293 3.877 -0.643) 4.550 2.436 ( 0.065 -3.028 -5.770) 6.517 2.465 ( -1.782 0.593 2.013) 2.753 2.487 ( -2.773 -1.977 4.164) 5.379 2.768 ( -4.207 1.350 1.651) 4.717 2.803 ( -5.208 -1.717 0.572) 5.513 2.922 ( 1.174 0.237 0.778) 1.428 2.955 ( 2.355 -2.584 1.184) 3.691 3.179 ( 0.801 1.625 0.298) 1.836 3.209 ( 1.377 -1.490 2.369) 3.118 3.635 ( 4.717 8.829 3.046) 10.463 3.684 ( 7.020 4.326 -4.500) 9.394 3.796 ( -0.531 3.899 3.966) 5.587 3.872 ( -1.366 -3.603 5.169) 6.447 4.322 ( 0.773 1.872 1.505) 2.523 4.355 ( -1.339 -1.239 0.674) 1.945 4.543 ( 3.504 6.871 -0.004) 7.713 4.618 ( 2.210 0.275 -1.029) 2.453 4.661 ( 0.079 -2.497 1.748) 3.049 4.688 ( 0.355 -2.607 0.328) 2.651 4.732 ( -0.497 -0.566 -2.084) 2.216 4.756 ( -1.337 -1.893 -3.950) 4.580 4.922 ( -6.167 1.653 0.754) 6.429 4.972 ( -3.329 -0.945 -2.772) 4.434 5.087 ( 0.463 2.811 2.569) 3.836 5.099 ( 1.989 -0.158 2.270) 3.022 5.164 ( -1.806 1.905 -0.043) 2.625 5.247 ( -1.642 -3.844 -0.704) 4.239 5.383 ( 3.105 3.729 2.138) 5.303 5.424 ( 0.899 1.146 1.259) 1.925 5.482 ( 2.719 -4.361 1.886) 5.474 5.497 ( 2.169 -4.444 -1.157) 5.079 5.706 ( 2.363 1.033 -4.633) 5.302 5.737 ( 1.493 -1.778 -4.197) 4.796 5.824 ( -4.006 0.949 -0.641) 4.167 5.841 ( -2.819 -0.828 -1.312) 3.218 5.937 ( -3.158 1.648 -0.616) 3.615 5.962 ( -2.455 -1.000 0.859) 2.786 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -0.146 7.188 1.705) 7.388 1.591 ( -4.196 -4.209 2.394) 6.407 1.683 ( -1.899 4.163 -2.687) 5.307 1.720 ( -1.516 -1.482 -3.018) 3.688 1.942 ( -0.887 4.546 2.757) 5.390 2.019 ( 1.009 0.286 -6.085) 6.174 2.045 ( -1.802 -0.969 0.616) 2.136 2.069 ( -0.461 -6.734 -0.363) 6.760 2.145 ( 0.750 -0.453 0.446) 0.983 2.234 ( -3.969 -8.332 -1.042) 9.288 2.331 ( 0.023 3.277 1.067) 3.446 2.407 ( -1.501 -4.134 -2.538) 5.078 2.458 ( 0.702 0.702 1.416) 1.729 2.476 ( 1.050 -1.163 1.443) 2.130 2.733 ( -0.128 1.317 0.510) 1.419 2.753 ( -1.208 -0.448 0.554) 1.402 2.979 ( 4.080 2.115 0.811) 4.667 3.031 ( 4.568 -2.643 1.174) 5.406 3.183 ( -0.307 1.895 -0.652) 2.027 3.229 ( 0.201 -2.417 0.406) 2.459 3.674 ( -1.157 9.360 6.739) 11.592 3.750 ( 0.326 3.575 -4.216) 5.537 3.805 ( 1.888 2.710 -0.246) 3.312 3.840 ( -2.583 -1.887 5.436) 6.307 4.348 ( 1.315 1.707 2.120) 3.022 4.369 ( 2.121 0.851 2.520) 3.402 4.601 ( 0.891 4.450 0.399) 4.555 4.612 ( -1.121 0.106 -2.395) 2.646 4.660 ( -0.087 -1.970 -1.297) 2.360 4.686 ( -0.150 -0.283 -0.324) 0.455 4.733 ( 0.606 -0.709 -2.148) 2.342 4.758 ( 1.139 -2.568 -0.944) 2.964 4.831 ( -2.343 2.390 0.871) 3.459 4.910 ( -2.673 -2.306 -1.615) 3.882 5.100 ( -0.013 4.791 0.088) 4.792 5.130 ( -1.358 0.917 1.377) 2.140 5.158 ( 2.769 -1.199 2.725) 4.066 5.223 ( 0.212 -4.302 -0.246) 4.314 5.426 ( -0.356 1.559 2.715) 3.151 5.448 ( 2.424 1.744 1.809) 3.491 5.490 ( -1.475 -1.990 -0.188) 2.484 5.536 ( 0.885 -4.376 0.073) 4.465 5.706 ( -1.334 0.260 -2.347) 2.712 5.719 ( -1.639 -0.928 -2.991) 3.534 5.796 ( 1.083 1.290 -2.375) 2.911 5.828 ( 1.944 -1.782 -2.365) 3.543 5.877 ( -2.686 1.722 -1.263) 3.432 5.911 ( -3.042 -1.695 0.616) 3.536 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -0.834 2.832 3.200) 4.354 1.544 ( 2.786 -1.161 -0.531) 3.065 1.646 ( -1.081 3.182 0.147) 3.364 1.671 ( -2.624 0.505 -1.796) 3.220 1.920 ( -2.152 0.685 5.617) 6.054 1.949 ( -5.637 -1.751 7.370) 9.442 2.031 ( -0.546 -1.810 -2.227) 2.921 2.078 ( 0.993 -5.990 -1.915) 6.366 2.159 ( 0.754 1.366 -1.874) 2.438 2.223 ( 3.460 -4.429 -6.367) 8.492 2.345 ( 0.940 0.500 0.949) 1.426 2.381 ( -0.958 -2.696 -2.625) 3.883 2.488 ( 2.049 1.019 0.069) 2.289 2.506 ( 1.897 -1.157 -1.485) 2.672 2.736 ( -0.647 0.968 0.924) 1.487 2.745 ( 0.642 0.039 -0.214) 0.678 3.048 ( 1.764 3.326 1.422) 4.024 3.083 ( -0.499 1.070 -1.067) 1.591 3.184 ( 1.079 -1.309 0.380) 1.738 3.215 ( -0.859 -3.261 -1.946) 3.893 3.651 ( -2.104 7.497 6.767) 10.316 3.737 ( -1.005 1.680 0.542) 2.031 3.785 ( -1.932 4.567 3.617) 6.138 3.867 ( 3.390 -1.274 -2.234) 4.255 4.385 ( 1.129 3.037 2.484) 4.082 4.401 ( 0.703 2.727 0.816) 2.932 4.565 ( -2.207 -0.126 1.846) 2.880 4.588 ( -1.239 -1.997 -0.923) 2.525 4.668 ( -1.551 0.524 -0.484) 1.707 4.693 ( 1.451 -1.718 -2.445) 3.322 4.742 ( 1.208 3.510 -1.182) 3.896 4.751 ( 0.090 2.368 -1.936) 3.060 4.845 ( 0.792 -1.562 1.192) 2.119 4.865 ( -1.041 -2.782 -0.199) 2.977 5.099 ( -1.389 0.577 0.566) 1.608 5.107 ( 1.509 1.449 -0.189) 2.101 5.208 ( 1.123 0.460 1.953) 2.299 5.253 ( 1.747 -2.097 -1.755) 3.245 5.417 ( -0.361 0.855 3.026) 3.165 5.449 ( -1.842 -1.975 0.479) 2.743 5.496 ( 1.897 -0.091 2.270) 2.960 5.526 ( -1.601 -2.877 -0.244) 3.301 5.684 ( -0.366 0.082 -1.504) 1.550 5.694 ( -0.369 -0.917 -2.375) 2.572 5.820 ( -1.738 1.820 -0.931) 2.683 5.826 ( 1.717 2.115 -1.515) 3.117 5.852 ( -2.995 -1.400 0.107) 3.308 5.886 ( 3.268 -3.144 -2.908) 5.387 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -0.906 7.703 1.918) 7.990 1.605 ( -1.102 -2.693 2.457) 3.808 1.657 ( 1.708 0.989 1.790) 2.664 1.675 ( 5.468 0.660 -2.004) 5.861 1.866 ( -4.372 -0.661 8.410) 9.501 1.891 ( -2.297 -3.021 6.686) 7.688 2.024 ( 0.356 0.634 -1.617) 1.772 2.103 ( 1.826 -6.111 -0.092) 6.378 2.181 ( 1.935 4.327 -3.360) 5.810 2.277 ( 2.737 -3.303 -3.612) 5.608 2.350 ( -1.013 -0.973 -1.030) 1.742 2.370 ( 0.682 -5.722 -1.647) 5.993 2.526 ( 2.192 1.488 -2.324) 3.524 2.542 ( 2.511 -0.444 -3.927) 4.683 2.739 ( 1.685 1.147 -0.616) 2.129 2.757 ( 0.851 -0.355 -0.086) 0.926 3.011 ( -3.791 2.353 -1.869) 4.838 3.043 ( -3.408 -0.049 -0.200) 3.414 3.185 ( -0.011 0.192 -0.991) 1.009 3.232 ( 1.254 -3.714 -0.127) 3.922 3.628 ( -2.586 6.321 7.219) 9.937 3.688 ( -4.398 0.972 5.967) 7.476 3.804 ( 2.560 9.284 -0.557) 9.647 3.925 ( 2.606 -2.395 -1.693) 3.923 4.371 ( -1.420 1.370 -0.544) 2.047 4.402 ( -2.055 0.260 -0.211) 2.083 4.547 ( 0.461 2.062 3.682) 4.245 4.589 ( 0.161 -1.150 4.052) 4.215 4.624 ( -1.876 3.774 -1.562) 4.494 4.704 ( -0.181 -1.198 -1.235) 1.730 4.723 ( -0.839 0.763 -2.417) 2.669 4.774 ( -1.003 -3.695 -1.866) 4.259 4.852 ( 3.693 1.070 -0.550) 3.884 4.894 ( 2.285 -1.362 0.030) 2.660 5.098 ( 1.277 3.041 0.234) 3.306 5.153 ( 2.559 1.556 -0.922) 3.133 5.199 ( -1.531 -0.680 -0.487) 1.745 5.249 ( -1.086 -2.414 -3.175) 4.134 5.427 ( -0.539 -0.180 2.887) 2.942 5.440 ( 0.254 -1.688 3.554) 3.943 5.484 ( -2.529 0.435 -0.642) 2.645 5.528 ( 0.568 -2.814 1.809) 3.393 5.682 ( 0.092 0.201 -1.354) 1.371 5.699 ( 1.258 -1.167 -1.253) 2.124 5.780 ( -1.318 0.876 -0.785) 1.767 5.801 ( -1.180 -1.149 -0.240) 1.664 5.879 ( 3.162 3.181 -0.951) 4.585 5.941 ( 3.003 -3.245 -2.132) 4.908 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 1.752 9.832 4.803) 11.081 1.612 ( 0.997 -1.193 4.051) 4.339 1.672 ( -0.916 5.700 2.206) 6.180 1.730 ( 0.543 0.246 -2.312) 2.387 1.853 ( 0.725 -4.142 4.674) 6.287 1.881 ( 0.838 -6.380 5.877) 8.714 2.024 ( -0.338 3.283 -1.705) 3.714 2.125 ( -0.087 -6.412 -0.955) 6.483 2.218 ( 2.488 4.495 -0.858) 5.209 2.313 ( 1.711 -0.177 -0.776) 1.887 2.338 ( 0.616 -2.211 -2.191) 3.174 2.362 ( -1.218 -7.593 0.162) 7.692 2.556 ( 0.882 2.508 -1.945) 3.294 2.580 ( 2.330 -0.234 -5.518) 5.995 2.789 ( 3.795 1.587 -0.564) 4.152 2.835 ( 8.534 -2.818 -3.198) 9.539 2.950 ( -1.631 0.864 -1.547) 2.408 2.985 ( -1.650 -2.093 -1.515) 3.065 3.175 ( -1.186 2.700 0.158) 2.953 3.240 ( -0.306 -3.442 -0.657) 3.517 3.540 ( -8.575 8.921 8.597) 15.068 3.618 ( -4.760 0.321 4.579) 6.613 3.841 ( 0.632 7.159 1.273) 7.298 3.938 ( -1.260 -2.283 -0.918) 2.765 4.342 ( -2.413 0.237 -0.550) 2.486 4.363 ( 0.508 -1.869 -0.224) 1.950 4.558 ( -2.088 7.545 -0.978) 7.889 4.579 ( -0.111 1.860 3.135) 3.647 4.628 ( 1.236 -0.462 4.279) 4.478 4.684 ( -0.998 0.759 -0.490) 1.346 4.712 ( 0.013 -1.127 -1.653) 2.001 4.753 ( 0.337 -7.482 -2.028) 7.759 4.941 ( 3.843 1.505 -0.175) 4.131 4.959 ( 5.684 -0.633 -2.302) 6.165 5.130 ( 0.538 4.460 -1.115) 4.629 5.139 ( -1.107 2.643 -1.313) 3.152 5.198 ( 0.568 -0.363 -3.798) 3.858 5.243 ( 1.183 -4.061 0.098) 4.231 5.406 ( -1.928 -0.644 1.950) 2.817 5.430 ( -2.984 3.109 -0.893) 4.400 5.435 ( -1.888 -3.417 4.129) 5.683 5.510 ( -2.489 -4.071 0.376) 4.786 5.661 ( -1.732 1.152 -1.262) 2.433 5.697 ( -1.383 -2.198 -0.586) 2.662 5.810 ( 4.225 1.238 0.300) 4.413 5.831 ( 3.881 -0.932 -0.502) 4.022 5.937 ( 2.953 2.828 -0.449) 4.113 5.987 ( 2.177 -2.404 -1.440) 3.548 ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 2.144 9.521 7.320) 12.200 1.619 ( -1.595 6.473 6.504) 9.313 1.666 ( 1.467 0.388 -2.074) 2.570 1.734 ( 0.302 1.530 -3.710) 4.024 1.892 ( 2.742 -5.617 5.461) 8.300 1.923 ( 1.734 -5.803 1.578) 6.258 2.006 ( -0.879 2.719 -1.092) 3.060 2.098 ( -2.100 -6.542 -1.016) 6.946 2.254 ( 0.871 1.492 -0.022) 1.728 2.311 ( -1.043 -3.187 -2.370) 4.107 2.368 ( 1.841 -1.425 0.730) 2.440 2.374 ( 2.694 -1.698 0.207) 3.192 2.544 ( -1.474 3.227 -1.573) 3.881 2.590 ( -0.288 -1.583 -5.321) 5.559 2.900 ( 7.245 4.824 -0.811) 8.742 2.953 ( 1.870 0.350 -0.468) 1.959 2.980 ( 2.746 -2.129 -1.527) 3.795 3.014 ( 6.225 -4.550 -4.583) 8.970 3.163 ( 2.215 2.697 1.321) 3.732 3.223 ( -0.911 -3.170 -0.907) 3.421 3.367 ( -10.640 10.610 8.113) 17.076 3.502 ( -8.352 -3.281 3.465) 9.619 3.824 ( -2.845 4.225 4.391) 6.725 3.886 ( -3.154 -1.875 -0.341) 3.685 4.327 ( 1.144 3.384 0.111) 3.574 4.394 ( 2.085 -2.805 0.526) 3.534 4.502 ( -2.894 5.645 -2.137) 6.694 4.555 ( -2.557 0.407 0.248) 2.601 4.665 ( 1.362 0.925 2.636) 3.109 4.686 ( 0.898 1.166 3.038) 3.376 4.717 ( 0.348 -1.698 -0.672) 1.859 4.771 ( 1.813 -6.528 -3.176) 7.483 5.004 ( 2.828 3.207 -0.483) 4.303 5.035 ( 1.142 0.663 -1.440) 1.953 5.121 ( 1.520 1.246 1.837) 2.690 5.154 ( 1.342 -0.595 -2.295) 2.724 5.209 ( 0.682 2.617 -1.736) 3.214 5.251 ( -0.251 -1.042 -2.154) 2.406 5.362 ( -3.674 2.781 -0.784) 4.674 5.368 ( -2.311 -0.410 -0.686) 2.446 5.406 ( -1.648 -3.713 4.173) 5.823 5.462 ( -1.687 -5.180 -0.387) 5.462 5.638 ( -0.063 0.499 -1.766) 1.836 5.668 ( -1.167 -2.291 -1.324) 2.892 5.891 ( 3.483 1.060 0.722) 3.712 5.904 ( 3.178 -0.248 -0.114) 3.190 5.983 ( 1.925 2.164 -0.077) 2.898 6.015 ( 0.984 -1.168 -0.980) 1.815 =================== 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 10.0 437.692 576.328 378.228 0.000 47.218 0.000 3/18816 20.0 60.936 102.364 61.483 0.000 3.572 0.000 3/18816 30.0 23.319 41.557 24.683 0.000 0.840 0.000 3/18816 40.0 13.014 23.329 14.018 0.000 0.336 0.000 3/18816 50.0 8.714 15.564 9.479 0.000 0.166 0.000 3/18816 60.0 6.481 11.527 7.100 0.000 0.091 0.000 3/18816 70.0 5.149 9.128 5.672 0.000 0.052 0.000 3/18816 80.0 4.274 7.560 4.730 0.000 0.030 0.000 3/18816 90.0 3.659 6.461 4.063 0.000 0.017 0.000 3/18816 100.0 3.203 5.649 3.568 0.000 0.009 0.000 3/18816 110.0 2.852 5.025 3.184 0.000 0.004 0.000 3/18816 120.0 2.573 4.530 2.878 0.000 0.001 0.000 3/18816 130.0 2.345 4.128 2.628 0.000 -0.002 0.000 3/18816 140.0 2.156 3.793 2.420 0.000 -0.003 0.000 3/18816 150.0 1.996 3.511 2.243 0.000 -0.004 0.000 3/18816 160.0 1.859 3.269 2.091 0.000 -0.005 0.000 3/18816 170.0 1.740 3.059 1.959 0.000 -0.006 0.000 3/18816 180.0 1.636 2.876 1.843 0.000 -0.006 0.000 3/18816 190.0 1.544 2.713 1.741 0.000 -0.006 0.000 3/18816 200.0 1.462 2.569 1.649 0.000 -0.006 0.000 3/18816 210.0 1.389 2.440 1.567 0.000 -0.007 0.000 3/18816 220.0 1.323 2.323 1.493 0.000 -0.007 0.000 3/18816 230.0 1.262 2.217 1.426 0.000 -0.007 0.000 3/18816 240.0 1.208 2.121 1.364 0.000 -0.006 0.000 3/18816 250.0 1.157 2.032 1.308 0.000 -0.006 0.000 3/18816 260.0 1.111 1.951 1.256 0.000 -0.006 0.000 3/18816 270.0 1.069 1.877 1.209 0.000 -0.006 0.000 3/18816 280.0 1.030 1.808 1.164 0.000 -0.006 0.000 3/18816 290.0 0.993 1.743 1.123 0.000 -0.006 0.000 3/18816 300.0 0.959 1.684 1.085 0.000 -0.006 0.000 3/18816 310.0 0.927 1.628 1.050 0.000 -0.006 0.000 3/18816 320.0 0.898 1.576 1.016 0.000 -0.006 0.000 3/18816 330.0 0.870 1.527 0.985 0.000 -0.006 0.000 3/18816 340.0 0.844 1.481 0.956 0.000 -0.006 0.000 3/18816 350.0 0.819 1.438 0.928 0.000 -0.005 0.000 3/18816 360.0 0.796 1.398 0.902 0.000 -0.005 0.000 3/18816 370.0 0.774 1.359 0.877 0.000 -0.005 0.000 3/18816 380.0 0.754 1.323 0.854 0.000 -0.005 0.000 3/18816 390.0 0.734 1.289 0.832 0.000 -0.005 0.000 3/18816 400.0 0.716 1.256 0.811 0.000 -0.005 0.000 3/18816 410.0 0.698 1.225 0.791 0.000 -0.005 0.000 3/18816 420.0 0.681 1.195 0.772 0.000 -0.005 0.000 3/18816 430.0 0.665 1.167 0.754 0.000 -0.005 0.000 3/18816 440.0 0.650 1.140 0.736 0.000 -0.005 0.000 3/18816 450.0 0.635 1.115 0.720 0.000 -0.005 0.000 3/18816 460.0 0.621 1.090 0.704 0.000 -0.004 0.000 3/18816 470.0 0.608 1.067 0.689 0.000 -0.004 0.000 3/18816 480.0 0.595 1.044 0.675 0.000 -0.004 0.000 3/18816 490.0 0.583 1.023 0.661 0.000 -0.004 0.000 3/18816 500.0 0.571 1.002 0.647 0.000 -0.004 0.000 3/18816 510.0 0.560 0.982 0.635 0.000 -0.004 0.000 3/18816 520.0 0.549 0.963 0.622 0.000 -0.004 0.000 3/18816 530.0 0.539 0.945 0.611 0.000 -0.004 0.000 3/18816 540.0 0.529 0.928 0.599 0.000 -0.004 0.000 3/18816 550.0 0.519 0.911 0.588 0.000 -0.004 0.000 3/18816 560.0 0.510 0.894 0.578 0.000 -0.004 0.000 3/18816 570.0 0.501 0.878 0.568 0.000 -0.004 0.000 3/18816 580.0 0.492 0.863 0.558 0.000 -0.004 0.000 3/18816 590.0 0.484 0.848 0.548 0.000 -0.004 0.000 3/18816 600.0 0.475 0.834 0.539 0.000 -0.004 0.000 3/18816 610.0 0.468 0.820 0.530 0.000 -0.004 0.000 3/18816 620.0 0.460 0.807 0.522 0.000 -0.003 0.000 3/18816 630.0 0.453 0.794 0.513 0.000 -0.003 0.000 3/18816 640.0 0.446 0.782 0.505 0.000 -0.003 0.000 3/18816 650.0 0.439 0.770 0.498 0.000 -0.003 0.000 3/18816 660.0 0.432 0.758 0.490 0.000 -0.003 0.000 3/18816 670.0 0.426 0.747 0.483 0.000 -0.003 0.000 3/18816 680.0 0.419 0.736 0.476 0.000 -0.003 0.000 3/18816 690.0 0.413 0.725 0.469 0.000 -0.003 0.000 3/18816 700.0 0.407 0.715 0.462 0.000 -0.003 0.000 3/18816 710.0 0.402 0.704 0.455 0.000 -0.003 0.000 3/18816 720.0 0.396 0.695 0.449 0.000 -0.003 0.000 3/18816 730.0 0.391 0.685 0.443 0.000 -0.003 0.000 3/18816 740.0 0.385 0.676 0.437 0.000 -0.003 0.000 3/18816 750.0 0.380 0.667 0.431 0.000 -0.003 0.000 3/18816 760.0 0.375 0.658 0.425 0.000 -0.003 0.000 3/18816 770.0 0.370 0.649 0.420 0.000 -0.003 0.000 3/18816 780.0 0.365 0.641 0.414 0.000 -0.003 0.000 3/18816 790.0 0.361 0.633 0.409 0.000 -0.003 0.000 3/18816 800.0 0.356 0.625 0.404 0.000 -0.003 0.000 3/18816 810.0 0.352 0.617 0.399 0.000 -0.003 0.000 3/18816 820.0 0.348 0.610 0.394 0.000 -0.003 0.000 3/18816 830.0 0.343 0.602 0.390 0.000 -0.003 0.000 3/18816 840.0 0.339 0.595 0.385 0.000 -0.003 0.000 3/18816 850.0 0.335 0.588 0.380 0.000 -0.003 0.000 3/18816 860.0 0.331 0.581 0.376 0.000 -0.003 0.000 3/18816 870.0 0.328 0.575 0.372 0.000 -0.003 0.000 3/18816 880.0 0.324 0.568 0.367 0.000 -0.003 0.000 3/18816 890.0 0.320 0.562 0.363 0.000 -0.002 0.000 3/18816 900.0 0.317 0.555 0.359 0.000 -0.002 0.000 3/18816 910.0 0.313 0.549 0.355 0.000 -0.002 0.000 3/18816 920.0 0.310 0.543 0.351 0.000 -0.002 0.000 3/18816 930.0 0.306 0.538 0.348 0.000 -0.002 0.000 3/18816 940.0 0.303 0.532 0.344 0.000 -0.002 0.000 3/18816 950.0 0.300 0.526 0.340 0.000 -0.002 0.000 3/18816 960.0 0.297 0.521 0.337 0.000 -0.002 0.000 3/18816 970.0 0.294 0.515 0.333 0.000 -0.002 0.000 3/18816 980.0 0.291 0.510 0.330 0.000 -0.002 0.000 3/18816 990.0 0.288 0.505 0.327 0.000 -0.002 0.000 3/18816 1000.0 0.285 0.500 0.323 0.000 -0.002 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:01:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|