----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:39:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.377141839455912 0.000000000000000 0.000000000000000 b 0.000000000000000 7.690568439999998 0.000000000000000 c -0.591779298900422 0.000000000000000 7.346677894369463 Atomic positions (fractional): *1 S 0.40456911384104 0.27220768397206 0.49905811101852 32.065 2 S 0.59543088615896 0.77220768397206 0.00094188898148 32.065 3 S 0.40456911384104 0.22779231602794 0.99905811101852 32.065 4 S 0.59543088615896 0.72779231602794 0.50094188898148 32.065 *5 Cu 0.93315975583536 0.65782950150131 0.45716176763123 63.546 6 Cu 0.93315975583536 0.84217049849869 0.95716176763123 63.546 7 Cu 0.06684024416464 0.34217049849869 0.54283823236877 63.546 8 Cu 0.06684024416464 0.15782950150131 0.04283823236877 63.546 *9 Te 0.87373742452599 0.10408512588307 0.72019764527380 127.600 10 Te 0.12626257547401 0.60408512588307 0.77980235472620 127.600 11 Te 0.87373742452599 0.39591487411693 0.22019764527380 127.600 12 Te 0.12626257547401 0.89591487411693 0.27980235472620 127.600 *13 La 0.64392124500788 0.47080650562623 0.77702970885684 138.905 14 La 0.35607875499212 0.97080650562623 0.72297029114316 138.905 15 La 0.35607875499212 0.52919349437377 0.22297029114316 138.905 16 La 0.64392124500788 0.02919349437377 0.27702970885684 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.377141839455912 0.000000000000000 0.000000000000000 b 0.000000000000000 7.690568439999998 0.000000000000000 c -0.591779298900422 0.000000000000000 7.346677894369463 Atomic positions (fractional): *1 S 0.40456911384104 0.27220768397206 0.49905811101852 32.065 > 1 2 S 0.59543088615896 0.77220768397206 0.00094188898148 32.065 > 2 3 S 0.40456911384104 0.22779231602794 0.99905811101852 32.065 > 3 4 S 0.59543088615896 0.72779231602794 0.50094188898148 32.065 > 4 *5 Cu 0.93315975583536 0.65782950150131 0.45716176763123 63.546 > 5 6 Cu 0.93315975583536 0.84217049849869 0.95716176763123 63.546 > 6 7 Cu 0.06684024416464 0.34217049849869 0.54283823236877 63.546 > 7 8 Cu 0.06684024416464 0.15782950150131 0.04283823236877 63.546 > 8 *9 Te 0.87373742452599 0.10408512588307 0.72019764527380 127.600 > 9 10 Te 0.12626257547401 0.60408512588307 0.77980235472620 127.600 > 10 11 Te 0.87373742452599 0.39591487411693 0.22019764527380 127.600 > 11 12 Te 0.12626257547401 0.89591487411693 0.27980235472620 127.600 > 12 *13 La 0.64392124500788 0.47080650562623 0.77702970885684 138.905 > 13 14 La 0.35607875499212 0.97080650562623 0.72297029114316 138.905 > 14 15 La 0.35607875499212 0.52919349437377 0.22297029114316 138.905 > 15 16 La 0.64392124500788 0.02919349437377 0.27702970885684 138.905 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.754283678911824 0.000000000000000 0.000000000000000 b 0.000000000000000 15.381136879999996 0.000000000000000 c -1.183558597800844 0.000000000000000 14.693355788738925 Atomic positions (fractional): *1 S 0.20228455692052 0.13610384198603 0.24952905550926 32.065 > 1 2 S 0.70228455692052 0.13610384198603 0.24952905550926 32.065 > 1 3 S 0.20228455692052 0.63610384198603 0.24952905550926 32.065 > 1 4 S 0.70228455692052 0.63610384198603 0.24952905550926 32.065 > 1 5 S 0.20228455692052 0.13610384198603 0.74952905550926 32.065 > 1 6 S 0.70228455692052 0.13610384198603 0.74952905550926 32.065 > 1 7 S 0.20228455692052 0.63610384198603 0.74952905550926 32.065 > 1 8 S 0.70228455692052 0.63610384198603 0.74952905550926 32.065 > 1 9 S 0.29771544307948 0.38610384198603 0.00047094449074 32.065 > 2 10 S 0.79771544307948 0.38610384198603 0.00047094449074 32.065 > 2 11 S 0.29771544307948 0.88610384198603 0.00047094449074 32.065 > 2 12 S 0.79771544307948 0.88610384198603 0.00047094449074 32.065 > 2 13 S 0.29771544307948 0.38610384198603 0.50047094449074 32.065 > 2 14 S 0.79771544307948 0.38610384198603 0.50047094449074 32.065 > 2 15 S 0.29771544307948 0.88610384198603 0.50047094449074 32.065 > 2 16 S 0.79771544307948 0.88610384198603 0.50047094449074 32.065 > 2 17 S 0.20228455692052 0.11389615801397 0.49952905550926 32.065 > 3 18 S 0.70228455692052 0.11389615801397 0.49952905550926 32.065 > 3 19 S 0.20228455692052 0.61389615801397 0.49952905550926 32.065 > 3 20 S 0.70228455692052 0.61389615801397 0.49952905550926 32.065 > 3 21 S 0.20228455692052 0.11389615801397 0.99952905550926 32.065 > 3 22 S 0.70228455692052 0.11389615801397 0.99952905550926 32.065 > 3 23 S 0.20228455692052 0.61389615801397 0.99952905550926 32.065 > 3 24 S 0.70228455692052 0.61389615801397 0.99952905550926 32.065 > 3 25 S 0.29771544307948 0.36389615801397 0.25047094449074 32.065 > 4 26 S 0.79771544307948 0.36389615801397 0.25047094449074 32.065 > 4 27 S 0.29771544307948 0.86389615801397 0.25047094449074 32.065 > 4 28 S 0.79771544307948 0.86389615801397 0.25047094449074 32.065 > 4 29 S 0.29771544307948 0.36389615801397 0.75047094449074 32.065 > 4 30 S 0.79771544307948 0.36389615801397 0.75047094449074 32.065 > 4 31 S 0.29771544307948 0.86389615801397 0.75047094449074 32.065 > 4 32 S 0.79771544307948 0.86389615801397 0.75047094449074 32.065 > 4 *33 Cu 0.46657987791768 0.32891475075065 0.22858088381561 63.546 > 5 34 Cu 0.96657987791768 0.32891475075065 0.22858088381561 63.546 > 5 35 Cu 0.46657987791768 0.82891475075065 0.22858088381561 63.546 > 5 36 Cu 0.96657987791768 0.82891475075065 0.22858088381561 63.546 > 5 37 Cu 0.46657987791768 0.32891475075065 0.72858088381561 63.546 > 5 38 Cu 0.96657987791768 0.32891475075065 0.72858088381561 63.546 > 5 39 Cu 0.46657987791768 0.82891475075065 0.72858088381561 63.546 > 5 40 Cu 0.96657987791768 0.82891475075065 0.72858088381561 63.546 > 5 41 Cu 0.46657987791768 0.42108524924935 0.47858088381561 63.546 > 6 42 Cu 0.96657987791768 0.42108524924935 0.47858088381561 63.546 > 6 43 Cu 0.46657987791768 0.92108524924935 0.47858088381561 63.546 > 6 44 Cu 0.96657987791768 0.92108524924935 0.47858088381561 63.546 > 6 45 Cu 0.46657987791768 0.42108524924935 0.97858088381561 63.546 > 6 46 Cu 0.96657987791768 0.42108524924935 0.97858088381561 63.546 > 6 47 Cu 0.46657987791768 0.92108524924935 0.97858088381561 63.546 > 6 48 Cu 0.96657987791768 0.92108524924935 0.97858088381561 63.546 > 6 49 Cu 0.03342012208232 0.17108524924935 0.27141911618439 63.546 > 7 50 Cu 0.53342012208232 0.17108524924935 0.27141911618439 63.546 > 7 51 Cu 0.03342012208232 0.67108524924935 0.27141911618439 63.546 > 7 52 Cu 0.53342012208232 0.67108524924935 0.27141911618439 63.546 > 7 53 Cu 0.03342012208232 0.17108524924935 0.77141911618439 63.546 > 7 54 Cu 0.53342012208232 0.17108524924935 0.77141911618439 63.546 > 7 55 Cu 0.03342012208232 0.67108524924935 0.77141911618439 63.546 > 7 56 Cu 0.53342012208232 0.67108524924935 0.77141911618439 63.546 > 7 57 Cu 0.03342012208232 0.07891475075065 0.02141911618439 63.546 > 8 58 Cu 0.53342012208232 0.07891475075065 0.02141911618439 63.546 > 8 59 Cu 0.03342012208232 0.57891475075065 0.02141911618439 63.546 > 8 60 Cu 0.53342012208232 0.57891475075065 0.02141911618439 63.546 > 8 61 Cu 0.03342012208232 0.07891475075065 0.52141911618439 63.546 > 8 62 Cu 0.53342012208232 0.07891475075065 0.52141911618439 63.546 > 8 63 Cu 0.03342012208232 0.57891475075065 0.52141911618439 63.546 > 8 64 Cu 0.53342012208232 0.57891475075065 0.52141911618439 63.546 > 8 *65 Te 0.43686871226299 0.05204256294153 0.36009882263690 127.600 > 9 66 Te 0.93686871226299 0.05204256294153 0.36009882263690 127.600 > 9 67 Te 0.43686871226299 0.55204256294153 0.36009882263690 127.600 > 9 68 Te 0.93686871226299 0.55204256294153 0.36009882263690 127.600 > 9 69 Te 0.43686871226299 0.05204256294153 0.86009882263690 127.600 > 9 70 Te 0.93686871226299 0.05204256294153 0.86009882263690 127.600 > 9 71 Te 0.43686871226299 0.55204256294153 0.86009882263690 127.600 > 9 72 Te 0.93686871226299 0.55204256294153 0.86009882263690 127.600 > 9 73 Te 0.06313128773701 0.30204256294153 0.38990117736310 127.600 > 10 74 Te 0.56313128773701 0.30204256294153 0.38990117736310 127.600 > 10 75 Te 0.06313128773701 0.80204256294153 0.38990117736310 127.600 > 10 76 Te 0.56313128773701 0.80204256294153 0.38990117736310 127.600 > 10 77 Te 0.06313128773701 0.30204256294153 0.88990117736310 127.600 > 10 78 Te 0.56313128773701 0.30204256294153 0.88990117736310 127.600 > 10 79 Te 0.06313128773701 0.80204256294153 0.88990117736310 127.600 > 10 80 Te 0.56313128773701 0.80204256294153 0.88990117736310 127.600 > 10 81 Te 0.43686871226299 0.19795743705847 0.11009882263690 127.600 > 11 82 Te 0.93686871226299 0.19795743705847 0.11009882263690 127.600 > 11 83 Te 0.43686871226299 0.69795743705847 0.11009882263690 127.600 > 11 84 Te 0.93686871226299 0.69795743705847 0.11009882263690 127.600 > 11 85 Te 0.43686871226299 0.19795743705847 0.61009882263690 127.600 > 11 86 Te 0.93686871226299 0.19795743705847 0.61009882263690 127.600 > 11 87 Te 0.43686871226299 0.69795743705847 0.61009882263690 127.600 > 11 88 Te 0.93686871226299 0.69795743705847 0.61009882263690 127.600 > 11 89 Te 0.06313128773701 0.44795743705847 0.13990117736310 127.600 > 12 90 Te 0.56313128773701 0.44795743705847 0.13990117736310 127.600 > 12 91 Te 0.06313128773701 0.94795743705847 0.13990117736310 127.600 > 12 92 Te 0.56313128773701 0.94795743705847 0.13990117736310 127.600 > 12 93 Te 0.06313128773701 0.44795743705847 0.63990117736310 127.600 > 12 94 Te 0.56313128773701 0.44795743705847 0.63990117736310 127.600 > 12 95 Te 0.06313128773701 0.94795743705847 0.63990117736310 127.600 > 12 96 Te 0.56313128773701 0.94795743705847 0.63990117736310 127.600 > 12 *97 La 0.32196062250394 0.23540325281311 0.38851485442842 138.905 > 13 98 La 0.82196062250394 0.23540325281311 0.38851485442842 138.905 > 13 99 La 0.32196062250394 0.73540325281311 0.38851485442842 138.905 > 13 100 La 0.82196062250394 0.73540325281311 0.38851485442842 138.905 > 13 101 La 0.32196062250394 0.23540325281311 0.88851485442842 138.905 > 13 102 La 0.82196062250394 0.23540325281311 0.88851485442842 138.905 > 13 103 La 0.32196062250394 0.73540325281311 0.88851485442842 138.905 > 13 104 La 0.82196062250394 0.73540325281311 0.88851485442842 138.905 > 13 105 La 0.17803937749606 0.48540325281311 0.36148514557158 138.905 > 14 106 La 0.67803937749606 0.48540325281311 0.36148514557158 138.905 > 14 107 La 0.17803937749606 0.98540325281311 0.36148514557158 138.905 > 14 108 La 0.67803937749606 0.98540325281311 0.36148514557158 138.905 > 14 109 La 0.17803937749606 0.48540325281311 0.86148514557158 138.905 > 14 110 La 0.67803937749606 0.48540325281311 0.86148514557158 138.905 > 14 111 La 0.17803937749606 0.98540325281311 0.86148514557158 138.905 > 14 112 La 0.67803937749606 0.98540325281311 0.86148514557158 138.905 > 14 113 La 0.17803937749606 0.26459674718689 0.11148514557158 138.905 > 15 114 La 0.67803937749606 0.26459674718689 0.11148514557158 138.905 > 15 115 La 0.17803937749606 0.76459674718689 0.11148514557158 138.905 > 15 116 La 0.67803937749606 0.76459674718689 0.11148514557158 138.905 > 15 117 La 0.17803937749606 0.26459674718689 0.61148514557158 138.905 > 15 118 La 0.67803937749606 0.26459674718689 0.61148514557158 138.905 > 15 119 La 0.17803937749606 0.76459674718689 0.61148514557158 138.905 > 15 120 La 0.67803937749606 0.76459674718689 0.61148514557158 138.905 > 15 121 La 0.32196062250394 0.01459674718689 0.13851485442842 138.905 > 16 122 La 0.82196062250394 0.01459674718689 0.13851485442842 138.905 > 16 123 La 0.32196062250394 0.51459674718689 0.13851485442842 138.905 > 16 124 La 0.82196062250394 0.51459674718689 0.13851485442842 138.905 > 16 125 La 0.32196062250394 0.01459674718689 0.63851485442842 138.905 > 16 126 La 0.82196062250394 0.01459674718689 0.63851485442842 138.905 > 16 127 La 0.32196062250394 0.51459674718689 0.63851485442842 138.905 > 16 128 La 0.82196062250394 0.51459674718689 0.63851485442842 138.905 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.5126576 0.0000000 5.5541090 0.0000000 18.2469057 0.0000000 5.5541934 0.0000000 25.6674182 -------------------------- Born effective charges -------------------------- 1 S -2.4954721 0.1568284 0.6641664 0.1450825 -4.0060186 0.3703474 -0.5322459 0.2904904 -2.0117200 2 S -2.4954721 -0.1568284 0.6641664 -0.1450825 -4.0060186 -0.3703474 -0.5322459 -0.2904904 -2.0117200 3 S -2.4954721 -0.1568284 0.6641664 -0.1450825 -4.0060186 -0.3703474 -0.5322459 -0.2904904 -2.0117200 4 S -2.4954721 0.1568284 0.6641664 0.1450825 -4.0060186 0.3703474 -0.5322459 0.2904904 -2.0117200 5 Cu 0.2996057 0.1462645 0.2287110 0.2196918 0.8299616 0.1306614 0.2317462 0.1200547 1.1927721 6 Cu 0.2996057 -0.1462645 0.2287110 -0.2196918 0.8299616 -0.1306614 0.2317462 -0.1200547 1.1927721 7 Cu 0.2996057 0.1462645 0.2287110 0.2196918 0.8299616 0.1306614 0.2317462 0.1200547 1.1927721 8 Cu 0.2996057 -0.1462645 0.2287110 -0.2196918 0.8299616 -0.1306614 0.2317462 -0.1200547 1.1927721 9 Te -2.4174909 0.2658723 -0.7245609 -0.1323743 -2.1590999 -0.0248527 -0.0180179 -0.3499678 -3.3651672 10 Te -2.4174909 -0.2658723 -0.7245609 0.1323743 -2.1590999 0.0248527 -0.0180179 0.3499678 -3.3651672 11 Te -2.4174909 -0.2658723 -0.7245609 0.1323743 -2.1590999 0.0248527 -0.0180179 0.3499678 -3.3651672 12 Te -2.4174909 0.2658723 -0.7245609 -0.1323743 -2.1590999 -0.0248527 -0.0180179 -0.3499678 -3.3651672 13 La 4.6133572 0.1120130 -0.1683165 -0.0437850 5.3351568 -0.2035499 0.3185177 -0.4730884 4.1841150 14 La 4.6133572 -0.1120130 -0.1683165 0.0437850 5.3351568 0.2035499 0.3185177 0.4730884 4.1841150 15 La 4.6133572 0.1120130 -0.1683165 -0.0437850 5.3351568 -0.2035499 0.3185177 -0.4730884 4.1841150 16 La 4.6133572 -0.1120130 -0.1683165 0.0437850 5.3351568 0.2035499 0.3185177 0.4730884 4.1841150 ---------------------------------------------------------------------------- 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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) 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: 3 / 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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: 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, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), 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, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 480 - Time: 1.028 Solver_block: 200 / 480 - Time: 0.985 Solver_block: 300 / 480 - Time: 0.971 Solver_block: 400 / 480 - Time: 0.965 Solver_block: 480 / 480 - Time: 0.886 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.920 --------------------------------- 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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) 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: 3 / 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) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 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: 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, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), 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, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:40:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:21]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.377141839455912 0.000000000000000 0.000000000000000 b 0.000000000000000 7.690568439999998 0.000000000000000 c -0.591779298900422 0.000000000000000 7.346677894369463 Atomic positions (fractional): 1 S 0.40456911384104 0.27220768397206 0.49905811101852 32.065 2 S 0.59543088615896 0.77220768397206 0.00094188898148 32.065 3 S 0.40456911384104 0.22779231602794 0.99905811101852 32.065 4 S 0.59543088615896 0.72779231602794 0.50094188898148 32.065 5 Cu 0.93315975583536 0.65782950150131 0.45716176763123 63.546 6 Cu 0.93315975583536 0.84217049849869 0.95716176763123 63.546 7 Cu 0.06684024416464 0.34217049849869 0.54283823236877 63.546 8 Cu 0.06684024416464 0.15782950150131 0.04283823236877 63.546 9 Te 0.87373742452599 0.10408512588307 0.72019764527380 127.600 10 Te 0.12626257547401 0.60408512588307 0.77980235472620 127.600 11 Te 0.87373742452599 0.39591487411693 0.22019764527380 127.600 12 Te 0.12626257547401 0.89591487411693 0.27980235472620 127.600 13 La 0.64392124500788 0.47080650562623 0.77702970885684 138.905 14 La 0.35607875499212 0.97080650562623 0.72297029114316 138.905 15 La 0.35607875499212 0.52919349437377 0.22297029114316 138.905 16 La 0.64392124500788 0.02919349437377 0.27702970885684 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.754283678911824 0.000000000000000 0.000000000000000 b 0.000000000000000 15.381136879999996 0.000000000000000 c -1.183558597800844 0.000000000000000 14.693355788738925 Atomic positions (fractional): 1 S 0.20228455692052 0.13610384198603 0.24952905550926 32.065 > 1 2 S 0.70228455692052 0.13610384198603 0.24952905550926 32.065 > 1 3 S 0.20228455692052 0.63610384198603 0.24952905550926 32.065 > 1 4 S 0.70228455692052 0.63610384198603 0.24952905550926 32.065 > 1 5 S 0.20228455692052 0.13610384198603 0.74952905550926 32.065 > 1 6 S 0.70228455692052 0.13610384198603 0.74952905550926 32.065 > 1 7 S 0.20228455692052 0.63610384198603 0.74952905550926 32.065 > 1 8 S 0.70228455692052 0.63610384198603 0.74952905550926 32.065 > 1 9 S 0.29771544307948 0.38610384198603 0.00047094449074 32.065 > 9 10 S 0.79771544307948 0.38610384198603 0.00047094449074 32.065 > 9 11 S 0.29771544307948 0.88610384198603 0.00047094449074 32.065 > 9 12 S 0.79771544307948 0.88610384198603 0.00047094449074 32.065 > 9 13 S 0.29771544307948 0.38610384198603 0.50047094449074 32.065 > 9 14 S 0.79771544307948 0.38610384198603 0.50047094449074 32.065 > 9 15 S 0.29771544307948 0.88610384198603 0.50047094449074 32.065 > 9 16 S 0.79771544307948 0.88610384198603 0.50047094449074 32.065 > 9 17 S 0.20228455692052 0.11389615801397 0.49952905550926 32.065 > 17 18 S 0.70228455692052 0.11389615801397 0.49952905550926 32.065 > 17 19 S 0.20228455692052 0.61389615801397 0.49952905550926 32.065 > 17 20 S 0.70228455692052 0.61389615801397 0.49952905550926 32.065 > 17 21 S 0.20228455692052 0.11389615801397 0.99952905550926 32.065 > 17 22 S 0.70228455692052 0.11389615801397 0.99952905550926 32.065 > 17 23 S 0.20228455692052 0.61389615801397 0.99952905550926 32.065 > 17 24 S 0.70228455692052 0.61389615801397 0.99952905550926 32.065 > 17 25 S 0.29771544307948 0.36389615801397 0.25047094449074 32.065 > 25 26 S 0.79771544307948 0.36389615801397 0.25047094449074 32.065 > 25 27 S 0.29771544307948 0.86389615801397 0.25047094449074 32.065 > 25 28 S 0.79771544307948 0.86389615801397 0.25047094449074 32.065 > 25 29 S 0.29771544307948 0.36389615801397 0.75047094449074 32.065 > 25 30 S 0.79771544307948 0.36389615801397 0.75047094449074 32.065 > 25 31 S 0.29771544307948 0.86389615801397 0.75047094449074 32.065 > 25 32 S 0.79771544307948 0.86389615801397 0.75047094449074 32.065 > 25 33 Cu 0.46657987791768 0.32891475075065 0.22858088381561 63.546 > 33 34 Cu 0.96657987791768 0.32891475075065 0.22858088381561 63.546 > 33 35 Cu 0.46657987791768 0.82891475075065 0.22858088381561 63.546 > 33 36 Cu 0.96657987791768 0.82891475075065 0.22858088381561 63.546 > 33 37 Cu 0.46657987791768 0.32891475075065 0.72858088381561 63.546 > 33 38 Cu 0.96657987791768 0.32891475075065 0.72858088381561 63.546 > 33 39 Cu 0.46657987791768 0.82891475075065 0.72858088381561 63.546 > 33 40 Cu 0.96657987791768 0.82891475075065 0.72858088381561 63.546 > 33 41 Cu 0.46657987791768 0.42108524924935 0.47858088381561 63.546 > 41 42 Cu 0.96657987791768 0.42108524924935 0.47858088381561 63.546 > 41 43 Cu 0.46657987791768 0.92108524924935 0.47858088381561 63.546 > 41 44 Cu 0.96657987791768 0.92108524924935 0.47858088381561 63.546 > 41 45 Cu 0.46657987791768 0.42108524924935 0.97858088381561 63.546 > 41 46 Cu 0.96657987791768 0.42108524924935 0.97858088381561 63.546 > 41 47 Cu 0.46657987791768 0.92108524924935 0.97858088381561 63.546 > 41 48 Cu 0.96657987791768 0.92108524924935 0.97858088381561 63.546 > 41 49 Cu 0.03342012208232 0.17108524924935 0.27141911618439 63.546 > 49 50 Cu 0.53342012208232 0.17108524924935 0.27141911618439 63.546 > 49 51 Cu 0.03342012208232 0.67108524924935 0.27141911618439 63.546 > 49 52 Cu 0.53342012208232 0.67108524924935 0.27141911618439 63.546 > 49 53 Cu 0.03342012208232 0.17108524924935 0.77141911618439 63.546 > 49 54 Cu 0.53342012208232 0.17108524924935 0.77141911618439 63.546 > 49 55 Cu 0.03342012208232 0.67108524924935 0.77141911618439 63.546 > 49 56 Cu 0.53342012208232 0.67108524924935 0.77141911618439 63.546 > 49 57 Cu 0.03342012208232 0.07891475075065 0.02141911618439 63.546 > 57 58 Cu 0.53342012208232 0.07891475075065 0.02141911618439 63.546 > 57 59 Cu 0.03342012208232 0.57891475075065 0.02141911618439 63.546 > 57 60 Cu 0.53342012208232 0.57891475075065 0.02141911618439 63.546 > 57 61 Cu 0.03342012208232 0.07891475075065 0.52141911618439 63.546 > 57 62 Cu 0.53342012208232 0.07891475075065 0.52141911618439 63.546 > 57 63 Cu 0.03342012208232 0.57891475075065 0.52141911618439 63.546 > 57 64 Cu 0.53342012208232 0.57891475075065 0.52141911618439 63.546 > 57 65 Te 0.43686871226299 0.05204256294153 0.36009882263690 127.600 > 65 66 Te 0.93686871226299 0.05204256294153 0.36009882263690 127.600 > 65 67 Te 0.43686871226299 0.55204256294153 0.36009882263690 127.600 > 65 68 Te 0.93686871226299 0.55204256294153 0.36009882263690 127.600 > 65 69 Te 0.43686871226299 0.05204256294153 0.86009882263690 127.600 > 65 70 Te 0.93686871226299 0.05204256294153 0.86009882263690 127.600 > 65 71 Te 0.43686871226299 0.55204256294153 0.86009882263690 127.600 > 65 72 Te 0.93686871226299 0.55204256294153 0.86009882263690 127.600 > 65 73 Te 0.06313128773701 0.30204256294153 0.38990117736310 127.600 > 73 74 Te 0.56313128773701 0.30204256294153 0.38990117736310 127.600 > 73 75 Te 0.06313128773701 0.80204256294153 0.38990117736310 127.600 > 73 76 Te 0.56313128773701 0.80204256294153 0.38990117736310 127.600 > 73 77 Te 0.06313128773701 0.30204256294153 0.88990117736310 127.600 > 73 78 Te 0.56313128773701 0.30204256294153 0.88990117736310 127.600 > 73 79 Te 0.06313128773701 0.80204256294153 0.88990117736310 127.600 > 73 80 Te 0.56313128773701 0.80204256294153 0.88990117736310 127.600 > 73 81 Te 0.43686871226299 0.19795743705847 0.11009882263690 127.600 > 81 82 Te 0.93686871226299 0.19795743705847 0.11009882263690 127.600 > 81 83 Te 0.43686871226299 0.69795743705847 0.11009882263690 127.600 > 81 84 Te 0.93686871226299 0.69795743705847 0.11009882263690 127.600 > 81 85 Te 0.43686871226299 0.19795743705847 0.61009882263690 127.600 > 81 86 Te 0.93686871226299 0.19795743705847 0.61009882263690 127.600 > 81 87 Te 0.43686871226299 0.69795743705847 0.61009882263690 127.600 > 81 88 Te 0.93686871226299 0.69795743705847 0.61009882263690 127.600 > 81 89 Te 0.06313128773701 0.44795743705847 0.13990117736310 127.600 > 89 90 Te 0.56313128773701 0.44795743705847 0.13990117736310 127.600 > 89 91 Te 0.06313128773701 0.94795743705847 0.13990117736310 127.600 > 89 92 Te 0.56313128773701 0.94795743705847 0.13990117736310 127.600 > 89 93 Te 0.06313128773701 0.44795743705847 0.63990117736310 127.600 > 89 94 Te 0.56313128773701 0.44795743705847 0.63990117736310 127.600 > 89 95 Te 0.06313128773701 0.94795743705847 0.63990117736310 127.600 > 89 96 Te 0.56313128773701 0.94795743705847 0.63990117736310 127.600 > 89 97 La 0.32196062250394 0.23540325281311 0.38851485442842 138.905 > 97 98 La 0.82196062250394 0.23540325281311 0.38851485442842 138.905 > 97 99 La 0.32196062250394 0.73540325281311 0.38851485442842 138.905 > 97 100 La 0.82196062250394 0.73540325281311 0.38851485442842 138.905 > 97 101 La 0.32196062250394 0.23540325281311 0.88851485442842 138.905 > 97 102 La 0.82196062250394 0.23540325281311 0.88851485442842 138.905 > 97 103 La 0.32196062250394 0.73540325281311 0.88851485442842 138.905 > 97 104 La 0.82196062250394 0.73540325281311 0.88851485442842 138.905 > 97 105 La 0.17803937749606 0.48540325281311 0.36148514557158 138.905 > 105 106 La 0.67803937749606 0.48540325281311 0.36148514557158 138.905 > 105 107 La 0.17803937749606 0.98540325281311 0.36148514557158 138.905 > 105 108 La 0.67803937749606 0.98540325281311 0.36148514557158 138.905 > 105 109 La 0.17803937749606 0.48540325281311 0.86148514557158 138.905 > 105 110 La 0.67803937749606 0.48540325281311 0.86148514557158 138.905 > 105 111 La 0.17803937749606 0.98540325281311 0.86148514557158 138.905 > 105 112 La 0.67803937749606 0.98540325281311 0.86148514557158 138.905 > 105 113 La 0.17803937749606 0.26459674718689 0.11148514557158 138.905 > 113 114 La 0.67803937749606 0.26459674718689 0.11148514557158 138.905 > 113 115 La 0.17803937749606 0.76459674718689 0.11148514557158 138.905 > 113 116 La 0.67803937749606 0.76459674718689 0.11148514557158 138.905 > 113 117 La 0.17803937749606 0.26459674718689 0.61148514557158 138.905 > 113 118 La 0.67803937749606 0.26459674718689 0.61148514557158 138.905 > 113 119 La 0.17803937749606 0.76459674718689 0.61148514557158 138.905 > 113 120 La 0.67803937749606 0.76459674718689 0.61148514557158 138.905 > 113 121 La 0.32196062250394 0.01459674718689 0.13851485442842 138.905 > 121 122 La 0.82196062250394 0.01459674718689 0.13851485442842 138.905 > 121 123 La 0.32196062250394 0.51459674718689 0.13851485442842 138.905 > 121 124 La 0.82196062250394 0.51459674718689 0.13851485442842 138.905 > 121 125 La 0.32196062250394 0.01459674718689 0.63851485442842 138.905 > 121 126 La 0.82196062250394 0.01459674718689 0.63851485442842 138.905 > 121 127 La 0.32196062250394 0.51459674718689 0.63851485442842 138.905 > 121 128 La 0.82196062250394 0.51459674718689 0.63851485442842 138.905 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.5126576 0.0000000 5.5541090 0.0000000 18.2469057 0.0000000 5.5541934 0.0000000 25.6674182 -------------------------- Born effective charges -------------------------- 1 S -2.4954721 0.1568284 0.6641664 0.1450825 -4.0060186 0.3703474 -0.5322459 0.2904904 -2.0117200 2 S -2.4954721 -0.1568284 0.6641664 -0.1450825 -4.0060186 -0.3703474 -0.5322459 -0.2904904 -2.0117200 3 S -2.4954721 -0.1568284 0.6641664 -0.1450825 -4.0060186 -0.3703474 -0.5322459 -0.2904904 -2.0117200 4 S -2.4954721 0.1568284 0.6641664 0.1450825 -4.0060186 0.3703474 -0.5322459 0.2904904 -2.0117200 5 Cu 0.2996057 0.1462645 0.2287110 0.2196918 0.8299616 0.1306614 0.2317462 0.1200547 1.1927721 6 Cu 0.2996057 -0.1462645 0.2287110 -0.2196918 0.8299616 -0.1306614 0.2317462 -0.1200547 1.1927721 7 Cu 0.2996057 0.1462645 0.2287110 0.2196918 0.8299616 0.1306614 0.2317462 0.1200547 1.1927721 8 Cu 0.2996057 -0.1462645 0.2287110 -0.2196918 0.8299616 -0.1306614 0.2317462 -0.1200547 1.1927721 9 Te -2.4174909 0.2658723 -0.7245609 -0.1323743 -2.1590999 -0.0248527 -0.0180179 -0.3499678 -3.3651672 10 Te -2.4174909 -0.2658723 -0.7245609 0.1323743 -2.1590999 0.0248527 -0.0180179 0.3499678 -3.3651672 11 Te -2.4174909 -0.2658723 -0.7245609 0.1323743 -2.1590999 0.0248527 -0.0180179 0.3499678 -3.3651672 12 Te -2.4174909 0.2658723 -0.7245609 -0.1323743 -2.1590999 -0.0248527 -0.0180179 -0.3499678 -3.3651672 13 La 4.6133572 0.1120130 -0.1683165 -0.0437850 5.3351568 -0.2035499 0.3185177 -0.4730884 4.1841150 14 La 4.6133572 -0.1120130 -0.1683165 0.0437850 5.3351568 0.2035499 0.3185177 0.4730884 4.1841150 15 La 4.6133572 0.1120130 -0.1683165 -0.0437850 5.3351568 -0.2035499 0.3185177 -0.4730884 4.1841150 16 La 4.6133572 -0.1120130 -0.1683165 0.0437850 5.3351568 0.2035499 0.3185177 0.4730884 4.1841150 ---------------------------------------------------------------------------- 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) 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 23:40:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:40:47]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.377141839455912 0.000000000000000 0.000000000000000 b 0.000000000000000 7.690568439999998 0.000000000000000 c -0.591779298900422 0.000000000000000 7.346677894369463 Atomic positions (fractional): 1 S 0.40456911384104 0.27220768397206 0.49905811101852 32.065 2 S 0.59543088615896 0.77220768397206 0.00094188898148 32.065 3 S 0.40456911384104 0.22779231602794 0.99905811101852 32.065 4 S 0.59543088615896 0.72779231602794 0.50094188898148 32.065 5 Cu 0.93315975583536 0.65782950150131 0.45716176763123 63.546 6 Cu 0.93315975583536 0.84217049849869 0.95716176763123 63.546 7 Cu 0.06684024416464 0.34217049849869 0.54283823236877 63.546 8 Cu 0.06684024416464 0.15782950150131 0.04283823236877 63.546 9 Te 0.87373742452599 0.10408512588307 0.72019764527380 127.600 10 Te 0.12626257547401 0.60408512588307 0.77980235472620 127.600 11 Te 0.87373742452599 0.39591487411693 0.22019764527380 127.600 12 Te 0.12626257547401 0.89591487411693 0.27980235472620 127.600 13 La 0.64392124500788 0.47080650562623 0.77702970885684 138.905 14 La 0.35607875499212 0.97080650562623 0.72297029114316 138.905 15 La 0.35607875499212 0.52919349437377 0.22297029114316 138.905 16 La 0.64392124500788 0.02919349437377 0.27702970885684 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.754283678911824 0.000000000000000 0.000000000000000 b 0.000000000000000 15.381136879999996 0.000000000000000 c -1.183558597800844 0.000000000000000 14.693355788738925 Atomic positions (fractional): 1 S 0.20228455692052 0.13610384198603 0.24952905550926 32.065 > 1 2 S 0.70228455692052 0.13610384198603 0.24952905550926 32.065 > 1 3 S 0.20228455692052 0.63610384198603 0.24952905550926 32.065 > 1 4 S 0.70228455692052 0.63610384198603 0.24952905550926 32.065 > 1 5 S 0.20228455692052 0.13610384198603 0.74952905550926 32.065 > 1 6 S 0.70228455692052 0.13610384198603 0.74952905550926 32.065 > 1 7 S 0.20228455692052 0.63610384198603 0.74952905550926 32.065 > 1 8 S 0.70228455692052 0.63610384198603 0.74952905550926 32.065 > 1 9 S 0.29771544307948 0.38610384198603 0.00047094449074 32.065 > 9 10 S 0.79771544307948 0.38610384198603 0.00047094449074 32.065 > 9 11 S 0.29771544307948 0.88610384198603 0.00047094449074 32.065 > 9 12 S 0.79771544307948 0.88610384198603 0.00047094449074 32.065 > 9 13 S 0.29771544307948 0.38610384198603 0.50047094449074 32.065 > 9 14 S 0.79771544307948 0.38610384198603 0.50047094449074 32.065 > 9 15 S 0.29771544307948 0.88610384198603 0.50047094449074 32.065 > 9 16 S 0.79771544307948 0.88610384198603 0.50047094449074 32.065 > 9 17 S 0.20228455692052 0.11389615801397 0.49952905550926 32.065 > 17 18 S 0.70228455692052 0.11389615801397 0.49952905550926 32.065 > 17 19 S 0.20228455692052 0.61389615801397 0.49952905550926 32.065 > 17 20 S 0.70228455692052 0.61389615801397 0.49952905550926 32.065 > 17 21 S 0.20228455692052 0.11389615801397 0.99952905550926 32.065 > 17 22 S 0.70228455692052 0.11389615801397 0.99952905550926 32.065 > 17 23 S 0.20228455692052 0.61389615801397 0.99952905550926 32.065 > 17 24 S 0.70228455692052 0.61389615801397 0.99952905550926 32.065 > 17 25 S 0.29771544307948 0.36389615801397 0.25047094449074 32.065 > 25 26 S 0.79771544307948 0.36389615801397 0.25047094449074 32.065 > 25 27 S 0.29771544307948 0.86389615801397 0.25047094449074 32.065 > 25 28 S 0.79771544307948 0.86389615801397 0.25047094449074 32.065 > 25 29 S 0.29771544307948 0.36389615801397 0.75047094449074 32.065 > 25 30 S 0.79771544307948 0.36389615801397 0.75047094449074 32.065 > 25 31 S 0.29771544307948 0.86389615801397 0.75047094449074 32.065 > 25 32 S 0.79771544307948 0.86389615801397 0.75047094449074 32.065 > 25 33 Cu 0.46657987791768 0.32891475075065 0.22858088381561 63.546 > 33 34 Cu 0.96657987791768 0.32891475075065 0.22858088381561 63.546 > 33 35 Cu 0.46657987791768 0.82891475075065 0.22858088381561 63.546 > 33 36 Cu 0.96657987791768 0.82891475075065 0.22858088381561 63.546 > 33 37 Cu 0.46657987791768 0.32891475075065 0.72858088381561 63.546 > 33 38 Cu 0.96657987791768 0.32891475075065 0.72858088381561 63.546 > 33 39 Cu 0.46657987791768 0.82891475075065 0.72858088381561 63.546 > 33 40 Cu 0.96657987791768 0.82891475075065 0.72858088381561 63.546 > 33 41 Cu 0.46657987791768 0.42108524924935 0.47858088381561 63.546 > 41 42 Cu 0.96657987791768 0.42108524924935 0.47858088381561 63.546 > 41 43 Cu 0.46657987791768 0.92108524924935 0.47858088381561 63.546 > 41 44 Cu 0.96657987791768 0.92108524924935 0.47858088381561 63.546 > 41 45 Cu 0.46657987791768 0.42108524924935 0.97858088381561 63.546 > 41 46 Cu 0.96657987791768 0.42108524924935 0.97858088381561 63.546 > 41 47 Cu 0.46657987791768 0.92108524924935 0.97858088381561 63.546 > 41 48 Cu 0.96657987791768 0.92108524924935 0.97858088381561 63.546 > 41 49 Cu 0.03342012208232 0.17108524924935 0.27141911618439 63.546 > 49 50 Cu 0.53342012208232 0.17108524924935 0.27141911618439 63.546 > 49 51 Cu 0.03342012208232 0.67108524924935 0.27141911618439 63.546 > 49 52 Cu 0.53342012208232 0.67108524924935 0.27141911618439 63.546 > 49 53 Cu 0.03342012208232 0.17108524924935 0.77141911618439 63.546 > 49 54 Cu 0.53342012208232 0.17108524924935 0.77141911618439 63.546 > 49 55 Cu 0.03342012208232 0.67108524924935 0.77141911618439 63.546 > 49 56 Cu 0.53342012208232 0.67108524924935 0.77141911618439 63.546 > 49 57 Cu 0.03342012208232 0.07891475075065 0.02141911618439 63.546 > 57 58 Cu 0.53342012208232 0.07891475075065 0.02141911618439 63.546 > 57 59 Cu 0.03342012208232 0.57891475075065 0.02141911618439 63.546 > 57 60 Cu 0.53342012208232 0.57891475075065 0.02141911618439 63.546 > 57 61 Cu 0.03342012208232 0.07891475075065 0.52141911618439 63.546 > 57 62 Cu 0.53342012208232 0.07891475075065 0.52141911618439 63.546 > 57 63 Cu 0.03342012208232 0.57891475075065 0.52141911618439 63.546 > 57 64 Cu 0.53342012208232 0.57891475075065 0.52141911618439 63.546 > 57 65 Te 0.43686871226299 0.05204256294153 0.36009882263690 127.600 > 65 66 Te 0.93686871226299 0.05204256294153 0.36009882263690 127.600 > 65 67 Te 0.43686871226299 0.55204256294153 0.36009882263690 127.600 > 65 68 Te 0.93686871226299 0.55204256294153 0.36009882263690 127.600 > 65 69 Te 0.43686871226299 0.05204256294153 0.86009882263690 127.600 > 65 70 Te 0.93686871226299 0.05204256294153 0.86009882263690 127.600 > 65 71 Te 0.43686871226299 0.55204256294153 0.86009882263690 127.600 > 65 72 Te 0.93686871226299 0.55204256294153 0.86009882263690 127.600 > 65 73 Te 0.06313128773701 0.30204256294153 0.38990117736310 127.600 > 73 74 Te 0.56313128773701 0.30204256294153 0.38990117736310 127.600 > 73 75 Te 0.06313128773701 0.80204256294153 0.38990117736310 127.600 > 73 76 Te 0.56313128773701 0.80204256294153 0.38990117736310 127.600 > 73 77 Te 0.06313128773701 0.30204256294153 0.88990117736310 127.600 > 73 78 Te 0.56313128773701 0.30204256294153 0.88990117736310 127.600 > 73 79 Te 0.06313128773701 0.80204256294153 0.88990117736310 127.600 > 73 80 Te 0.56313128773701 0.80204256294153 0.88990117736310 127.600 > 73 81 Te 0.43686871226299 0.19795743705847 0.11009882263690 127.600 > 81 82 Te 0.93686871226299 0.19795743705847 0.11009882263690 127.600 > 81 83 Te 0.43686871226299 0.69795743705847 0.11009882263690 127.600 > 81 84 Te 0.93686871226299 0.69795743705847 0.11009882263690 127.600 > 81 85 Te 0.43686871226299 0.19795743705847 0.61009882263690 127.600 > 81 86 Te 0.93686871226299 0.19795743705847 0.61009882263690 127.600 > 81 87 Te 0.43686871226299 0.69795743705847 0.61009882263690 127.600 > 81 88 Te 0.93686871226299 0.69795743705847 0.61009882263690 127.600 > 81 89 Te 0.06313128773701 0.44795743705847 0.13990117736310 127.600 > 89 90 Te 0.56313128773701 0.44795743705847 0.13990117736310 127.600 > 89 91 Te 0.06313128773701 0.94795743705847 0.13990117736310 127.600 > 89 92 Te 0.56313128773701 0.94795743705847 0.13990117736310 127.600 > 89 93 Te 0.06313128773701 0.44795743705847 0.63990117736310 127.600 > 89 94 Te 0.56313128773701 0.44795743705847 0.63990117736310 127.600 > 89 95 Te 0.06313128773701 0.94795743705847 0.63990117736310 127.600 > 89 96 Te 0.56313128773701 0.94795743705847 0.63990117736310 127.600 > 89 97 La 0.32196062250394 0.23540325281311 0.38851485442842 138.905 > 97 98 La 0.82196062250394 0.23540325281311 0.38851485442842 138.905 > 97 99 La 0.32196062250394 0.73540325281311 0.38851485442842 138.905 > 97 100 La 0.82196062250394 0.73540325281311 0.38851485442842 138.905 > 97 101 La 0.32196062250394 0.23540325281311 0.88851485442842 138.905 > 97 102 La 0.82196062250394 0.23540325281311 0.88851485442842 138.905 > 97 103 La 0.32196062250394 0.73540325281311 0.88851485442842 138.905 > 97 104 La 0.82196062250394 0.73540325281311 0.88851485442842 138.905 > 97 105 La 0.17803937749606 0.48540325281311 0.36148514557158 138.905 > 105 106 La 0.67803937749606 0.48540325281311 0.36148514557158 138.905 > 105 107 La 0.17803937749606 0.98540325281311 0.36148514557158 138.905 > 105 108 La 0.67803937749606 0.98540325281311 0.36148514557158 138.905 > 105 109 La 0.17803937749606 0.48540325281311 0.86148514557158 138.905 > 105 110 La 0.67803937749606 0.48540325281311 0.86148514557158 138.905 > 105 111 La 0.17803937749606 0.98540325281311 0.86148514557158 138.905 > 105 112 La 0.67803937749606 0.98540325281311 0.86148514557158 138.905 > 105 113 La 0.17803937749606 0.26459674718689 0.11148514557158 138.905 > 113 114 La 0.67803937749606 0.26459674718689 0.11148514557158 138.905 > 113 115 La 0.17803937749606 0.76459674718689 0.11148514557158 138.905 > 113 116 La 0.67803937749606 0.76459674718689 0.11148514557158 138.905 > 113 117 La 0.17803937749606 0.26459674718689 0.61148514557158 138.905 > 113 118 La 0.67803937749606 0.26459674718689 0.61148514557158 138.905 > 113 119 La 0.17803937749606 0.76459674718689 0.61148514557158 138.905 > 113 120 La 0.67803937749606 0.76459674718689 0.61148514557158 138.905 > 113 121 La 0.32196062250394 0.01459674718689 0.13851485442842 138.905 > 121 122 La 0.82196062250394 0.01459674718689 0.13851485442842 138.905 > 121 123 La 0.32196062250394 0.51459674718689 0.13851485442842 138.905 > 121 124 La 0.82196062250394 0.51459674718689 0.13851485442842 138.905 > 121 125 La 0.32196062250394 0.01459674718689 0.63851485442842 138.905 > 121 126 La 0.82196062250394 0.01459674718689 0.63851485442842 138.905 > 121 127 La 0.32196062250394 0.51459674718689 0.63851485442842 138.905 > 121 128 La 0.82196062250394 0.51459674718689 0.63851485442842 138.905 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.5126576 0.0000000 5.5541090 0.0000000 18.2469057 0.0000000 5.5541934 0.0000000 25.6674182 -------------------------- Born effective charges -------------------------- 1 S -2.4954721 0.1568284 0.6641664 0.1450825 -4.0060186 0.3703474 -0.5322459 0.2904904 -2.0117200 2 S -2.4954721 -0.1568284 0.6641664 -0.1450825 -4.0060186 -0.3703474 -0.5322459 -0.2904904 -2.0117200 3 S -2.4954721 -0.1568284 0.6641664 -0.1450825 -4.0060186 -0.3703474 -0.5322459 -0.2904904 -2.0117200 4 S -2.4954721 0.1568284 0.6641664 0.1450825 -4.0060186 0.3703474 -0.5322459 0.2904904 -2.0117200 5 Cu 0.2996057 0.1462645 0.2287110 0.2196918 0.8299616 0.1306614 0.2317462 0.1200547 1.1927721 6 Cu 0.2996057 -0.1462645 0.2287110 -0.2196918 0.8299616 -0.1306614 0.2317462 -0.1200547 1.1927721 7 Cu 0.2996057 0.1462645 0.2287110 0.2196918 0.8299616 0.1306614 0.2317462 0.1200547 1.1927721 8 Cu 0.2996057 -0.1462645 0.2287110 -0.2196918 0.8299616 -0.1306614 0.2317462 -0.1200547 1.1927721 9 Te -2.4174909 0.2658723 -0.7245609 -0.1323743 -2.1590999 -0.0248527 -0.0180179 -0.3499678 -3.3651672 10 Te -2.4174909 -0.2658723 -0.7245609 0.1323743 -2.1590999 0.0248527 -0.0180179 0.3499678 -3.3651672 11 Te -2.4174909 -0.2658723 -0.7245609 0.1323743 -2.1590999 0.0248527 -0.0180179 0.3499678 -3.3651672 12 Te -2.4174909 0.2658723 -0.7245609 -0.1323743 -2.1590999 -0.0248527 -0.0180179 -0.3499678 -3.3651672 13 La 4.6133572 0.1120130 -0.1683165 -0.0437850 5.3351568 -0.2035499 0.3185177 -0.4730884 4.1841150 14 La 4.6133572 -0.1120130 -0.1683165 0.0437850 5.3351568 0.2035499 0.3185177 0.4730884 4.1841150 15 La 4.6133572 0.1120130 -0.1683165 -0.0437850 5.3351568 -0.2035499 0.3185177 -0.4730884 4.1841150 16 La 4.6133572 -0.1120130 -0.1683165 0.0437850 5.3351568 0.2035499 0.3185177 0.4730884 4.1841150 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 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: 0.58, Number of G-points: 303, Lambda: 0.27 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: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 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 1.811 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.748 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.216 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 8.144 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.704 ( 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: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 20.408 0.000 8.136) 21.970 0.491 ( 24.189 0.000 2.650) 24.334 0.830 ( 40.978 0.000 2.379) 41.047 1.818 ( -0.624 0.000 7.904) 7.929 1.830 ( -2.542 0.000 -0.644) 2.623 1.914 ( -0.029 0.000 3.417) 3.417 1.927 ( 2.278 0.000 1.540) 2.750 2.303 ( 4.381 0.000 2.468) 5.028 2.328 ( 3.967 0.000 -1.227) 4.153 2.509 ( -2.133 0.000 1.424) 2.564 2.641 ( -4.383 0.000 -2.145) 4.879 2.666 ( -0.494 0.000 -2.888) 2.930 2.680 ( 2.798 0.000 -1.047) 2.988 2.790 ( 1.122 0.000 5.917) 6.022 2.926 ( -1.985 0.000 -2.431) 3.138 3.062 ( -0.999 0.000 1.337) 1.669 3.068 ( -1.085 0.000 4.441) 4.572 3.130 ( -3.568 0.000 -0.851) 3.668 3.140 ( 2.603 0.000 -2.061) 3.320 3.163 ( -3.237 0.000 -1.851) 3.729 3.386 ( -3.680 0.000 -0.175) 3.684 3.540 ( 2.444 0.000 2.819) 3.731 3.601 ( 2.828 0.000 -1.485) 3.194 3.820 ( 3.236 0.000 -2.023) 3.816 3.882 ( -2.681 0.000 -0.247) 2.692 4.074 ( 0.917 0.000 -25.923) 25.939 4.284 ( -2.012 0.000 1.428) 2.467 4.291 ( -3.832 0.000 0.802) 3.915 4.465 ( 0.909 0.000 -8.132) 8.183 4.478 ( 2.148 0.000 -0.502) 2.206 4.637 ( 1.290 0.000 1.525) 1.998 4.738 ( -1.055 0.000 0.055) 1.056 4.766 ( 0.633 0.000 -1.113) 1.281 4.847 ( 0.530 0.000 0.488) 0.720 4.991 ( -0.538 0.000 0.170) 0.564 5.035 ( -1.293 0.000 5.997) 6.135 6.178 ( -1.419 0.000 0.555) 1.524 6.257 ( 1.802 0.000 3.809) 4.214 6.503 ( 1.064 0.000 0.347) 1.119 7.076 ( 0.004 0.000 -0.063) 0.063 7.150 ( 1.657 0.000 -8.637) 8.795 7.512 ( 0.360 0.000 0.581) 0.684 8.136 ( -0.631 0.000 -0.996) 1.179 8.291 ( -1.460 0.000 1.988) 2.467 8.510 ( 0.305 0.000 0.792) 0.849 8.524 ( -1.938 0.000 0.197) 1.949 8.691 ( -1.181 0.000 -0.768) 1.408 8.931 ( 0.878 0.000 -9.308) 9.350 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 18.330 0.000 7.342) 19.746 0.944 ( 21.345 0.000 1.251) 21.381 1.574 ( 31.238 0.000 2.577) 31.345 1.762 ( -4.142 0.000 -0.108) 4.143 1.787 ( -2.269 0.000 7.018) 7.376 1.955 ( 5.173 0.000 -5.895) 7.843 1.991 ( 3.507 0.000 2.066) 4.070 2.400 ( 3.835 0.000 3.156) 4.966 2.416 ( 4.770 0.000 -2.374) 5.328 2.452 ( -3.274 0.000 4.234) 5.352 2.561 ( -3.080 0.000 -1.195) 3.304 2.653 ( 0.101 0.000 -5.950) 5.951 2.752 ( 3.927 0.000 -1.859) 4.345 2.819 ( 1.520 0.000 5.834) 6.029 2.873 ( -2.731 0.000 -3.970) 4.819 2.998 ( -6.161 0.000 3.822) 7.250 3.049 ( -0.467 0.000 0.688) 0.831 3.067 ( -3.383 0.000 -1.477) 3.692 3.096 ( -2.341 0.000 0.120) 2.344 3.174 ( 0.781 0.000 -1.764) 1.929 3.324 ( -2.039 0.000 -1.323) 2.430 3.594 ( 1.323 0.000 4.588) 4.775 3.650 ( 2.191 0.000 -1.146) 2.472 3.820 ( -3.184 0.000 -0.006) 3.184 3.892 ( 4.291 0.000 -3.283) 5.403 4.024 ( -3.050 0.000 -10.963) 11.379 4.212 ( -3.556 0.000 0.135) 3.559 4.234 ( -3.376 0.000 2.908) 4.456 4.460 ( -0.480 0.000 -4.075) 4.103 4.526 ( 2.660 0.000 -1.159) 2.901 4.673 ( 1.788 0.000 2.511) 3.083 4.713 ( -1.264 0.000 -0.097) 1.268 4.780 ( 1.041 0.000 -1.675) 1.972 4.861 ( 0.789 0.000 0.717) 1.066 4.979 ( -0.704 0.000 0.284) 0.759 5.014 ( -1.341 0.000 2.189) 2.567 6.160 ( -0.540 0.000 0.866) 1.020 6.293 ( 1.292 0.000 2.925) 3.198 6.530 ( 1.486 0.000 0.500) 1.568 7.077 ( 0.126 0.000 -0.133) 0.184 7.174 ( 1.400 0.000 -0.924) 1.678 7.522 ( 0.484 0.000 0.803) 0.937 8.120 ( -0.691 0.000 -1.692) 1.827 8.255 ( -2.501 0.000 3.170) 4.037 8.477 ( -2.612 0.000 0.204) 2.620 8.519 ( 0.456 0.000 1.144) 1.232 8.660 ( -1.687 0.000 -1.092) 2.009 8.934 ( 0.494 0.000 -4.019) 4.049 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 15.218 0.000 5.856) 16.306 1.314 ( 15.667 0.000 -0.129) 15.667 1.637 ( -8.052 0.000 0.577) 8.072 1.678 ( -4.090 0.000 0.458) 4.115 1.957 ( 4.220 0.000 0.072) 4.221 2.038 ( 0.176 0.000 0.721) 0.742 2.246 ( 18.842 0.000 -1.594) 18.909 2.361 ( -3.584 0.000 3.175) 4.788 2.498 ( 5.031 0.000 -2.613) 5.669 2.511 ( 4.837 0.000 5.991) 7.700 2.542 ( 2.599 0.000 -1.212) 2.867 2.655 ( 0.865 0.000 -5.952) 6.015 2.793 ( 0.907 0.000 2.877) 3.016 2.801 ( -4.457 0.000 -5.316) 6.937 2.886 ( -4.790 0.000 2.972) 5.637 2.888 ( 3.882 0.000 -0.812) 3.966 3.004 ( -1.504 0.000 -5.040) 5.260 3.044 ( -0.981 0.000 1.980) 2.209 3.061 ( -2.022 0.000 4.673) 5.092 3.161 ( -1.220 0.000 -1.153) 1.679 3.302 ( -0.296 0.000 -1.125) 1.163 3.560 ( -5.713 0.000 4.020) 6.985 3.680 ( 1.081 0.000 -0.476) 1.181 3.760 ( -3.061 0.000 -0.212) 3.068 3.964 ( -0.501 0.000 -4.426) 4.455 3.972 ( 4.312 0.000 -4.004) 5.885 4.164 ( -1.426 0.000 -0.346) 1.468 4.165 ( -4.013 0.000 3.817) 5.538 4.435 ( -1.339 0.000 -2.030) 2.431 4.571 ( 1.901 0.000 -0.932) 2.117 4.693 ( -0.653 0.000 -0.151) 0.670 4.705 ( 0.905 0.000 1.792) 2.008 4.800 ( 1.054 0.000 -1.140) 1.552 4.877 ( 0.560 0.000 0.535) 0.775 4.967 ( -0.455 0.000 0.252) 0.520 4.994 ( -0.902 0.000 0.772) 1.188 6.157 ( -0.037 0.000 0.677) 0.678 6.315 ( 0.617 0.000 1.661) 1.772 6.557 ( 1.039 0.000 0.361) 1.100 7.080 ( 0.189 0.000 -0.129) 0.229 7.197 ( 0.848 0.000 0.764) 1.141 7.531 ( 0.324 0.000 0.551) 0.639 8.108 ( -0.144 0.000 -1.695) 1.702 8.210 ( -2.330 0.000 2.779) 3.626 8.433 ( -1.721 0.000 0.115) 1.725 8.529 ( 0.341 0.000 0.827) 0.894 8.628 ( -1.202 0.000 -0.784) 1.435 8.937 ( 0.253 0.000 -1.750) 1.768 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.000 0.000 -0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 -0.000) 0.000 1.623 ( -0.000 0.000 -0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 -0.000) 0.000 2.329 ( 0.000 0.000 -0.000) 0.000 2.377 ( 0.000 0.000 -0.000) 0.000 2.542 ( 0.000 0.000 0.000) 0.000 2.600 ( -0.000 0.000 -0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.710 ( -0.000 0.000 -0.000) 0.000 2.832 ( 0.000 0.000 -0.000) 0.000 2.844 ( 0.000 0.000 -0.000) 0.000 2.949 ( -0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 -0.000) 0.000 2.990 ( 0.000 0.000 -0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 -0.000) 0.000 3.300 ( 0.000 0.000 -0.000) 0.000 3.468 ( 0.000 0.000 -0.000) 0.000 3.691 ( 0.000 0.000 -0.000) 0.000 3.724 ( 0.000 0.000 -0.000) 0.000 3.968 ( 0.000 0.000 -0.000) 0.000 4.027 ( 0.000 0.000 -0.000) 0.000 4.112 ( -0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 -0.000) 0.000 4.417 ( 0.000 0.000 -0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.687 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.811 ( 0.000 0.000 -0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 -0.000) 0.000 4.985 ( 0.000 0.000 -0.000) 0.000 6.158 ( 0.000 0.000 -0.000) 0.000 6.323 ( 0.000 0.000 -0.000) 0.000 6.568 ( 0.000 0.000 0.000) 0.000 7.082 ( 0.000 0.000 -0.000) 0.000 7.206 ( 0.000 0.000 -0.000) 0.000 7.535 ( 0.000 0.000 -0.000) 0.000 8.107 ( 0.000 0.000 -0.000) 0.000 8.186 ( 0.000 0.000 -0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 -0.000) 0.000 8.615 ( 0.000 0.000 -0.000) 0.000 8.938 ( 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: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 24.421 0.000) 24.421 0.479 ( 0.000 25.264 0.000) 25.264 0.834 ( 0.000 43.014 0.000) 43.014 1.816 ( 0.000 -0.007 0.000) 0.007 1.874 ( 0.000 3.762 0.000) 3.762 1.908 ( 0.000 4.902 0.000) 4.902 1.953 ( 0.000 5.250 0.000) 5.250 2.198 ( 0.000 -5.703 0.000) 5.703 2.245 ( 0.000 -4.173 0.000) 4.173 2.498 ( 0.000 -3.223 0.000) 3.223 2.576 ( 0.000 -6.817 0.000) 6.817 2.629 ( 0.000 -5.255 0.000) 5.255 2.700 ( 0.000 3.161 0.000) 3.161 2.839 ( 0.000 3.758 0.000) 3.758 2.912 ( 0.000 -2.776 0.000) 2.776 3.004 ( 0.000 0.572 0.000) 0.572 3.029 ( 0.000 -2.783 0.000) 2.783 3.167 ( 0.000 0.017 0.000) 0.017 3.181 ( 0.000 3.316 0.000) 3.316 3.250 ( 0.000 1.309 0.000) 1.309 3.363 ( 0.000 -7.487 0.000) 7.487 3.418 ( 0.000 -1.379 0.000) 1.379 3.706 ( 0.000 6.654 0.000) 6.654 3.747 ( 0.000 -2.720 0.000) 2.720 3.761 ( 0.000 1.537 0.000) 1.537 3.926 ( 0.000 1.437 0.000) 1.437 4.304 ( 0.000 -5.635 0.000) 5.635 4.356 ( 0.000 2.427 0.000) 2.427 4.391 ( 0.000 -8.117 0.000) 8.117 4.492 ( 0.000 2.132 0.000) 2.132 4.552 ( 0.000 -3.642 0.000) 3.642 4.766 ( 0.000 0.332 0.000) 0.332 4.776 ( 0.000 0.697 0.000) 0.697 4.832 ( 0.000 -0.372 0.000) 0.372 4.890 ( 0.000 1.938 0.000) 1.938 4.996 ( 0.000 -0.089 0.000) 0.089 6.220 ( 0.000 1.092 0.000) 1.092 6.227 ( 0.000 1.141 0.000) 1.141 7.060 ( 0.000 -0.289 0.000) 0.289 7.153 ( 0.000 4.059 0.000) 4.059 7.232 ( 0.000 -1.086 0.000) 1.086 7.500 ( 0.000 -0.854 0.000) 0.854 8.151 ( 0.000 0.762 0.000) 0.762 8.440 ( 0.000 -3.882 0.000) 3.882 8.540 ( 0.000 1.507 0.000) 1.507 8.580 ( 0.000 0.080 0.000) 0.080 8.720 ( 0.000 1.684 0.000) 1.684 8.814 ( 0.000 0.498 0.000) 0.498 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 13.394 17.610 3.794) 22.447 0.685 ( 16.548 17.323 4.159) 24.315 1.142 ( 26.416 27.589 1.005) 38.209 1.801 ( -0.828 -0.018 2.403) 2.542 1.862 ( -2.364 2.233 4.029) 5.177 1.927 ( 0.656 2.712 -1.157) 3.021 1.999 ( 4.262 7.361 0.583) 8.526 2.255 ( 4.584 -4.727 2.419) 7.015 2.283 ( 4.021 -4.670 -0.549) 6.187 2.477 ( -2.481 -3.728 0.772) 4.544 2.534 ( -2.789 -7.368 -3.367) 8.567 2.634 ( -0.316 -4.136 2.355) 4.770 2.728 ( 2.684 3.468 -2.689) 5.144 2.807 ( -2.129 -0.128 3.003) 3.683 2.929 ( 0.047 0.843 -4.308) 4.390 3.019 ( 0.881 -1.263 0.971) 1.821 3.028 ( -1.354 -4.122 -0.557) 4.374 3.119 ( -4.106 0.266 2.377) 4.752 3.172 ( -0.697 2.254 -0.335) 2.383 3.230 ( -0.484 4.159 -0.624) 4.234 3.375 ( 1.293 -4.784 0.407) 4.972 3.452 ( 1.575 -1.756 0.178) 2.366 3.703 ( 1.062 6.000 0.495) 6.113 3.771 ( 1.827 -4.148 -2.756) 5.305 3.835 ( 2.359 -2.705 -1.497) 3.889 3.968 ( 4.124 -1.878 -6.860) 8.221 4.282 ( -2.473 -2.569 0.807) 3.656 4.320 ( -3.777 -0.057 1.998) 4.273 4.383 ( 0.056 -5.829 0.658) 5.866 4.491 ( 1.032 1.064 -4.296) 4.544 4.568 ( 1.213 -4.318 1.721) 4.804 4.758 ( -0.879 0.382 1.408) 1.703 4.776 ( 0.168 0.820 -1.719) 1.912 4.854 ( 1.082 0.185 -0.530) 1.219 4.937 ( 2.969 -2.511 4.877) 6.237 4.992 ( -0.256 -0.106 -0.571) 0.634 6.192 ( -1.245 1.413 0.149) 1.890 6.262 ( 1.774 0.737 1.964) 2.748 6.913 ( -15.884 17.741 0.649) 23.822 7.066 ( -0.431 -0.185 -2.334) 2.381 7.191 ( 0.994 3.385 -7.408) 8.205 7.501 ( 0.196 -1.113 0.439) 1.213 8.142 ( -0.813 0.548 -1.046) 1.434 8.319 ( -5.943 0.386 0.338) 5.965 8.533 ( -1.272 1.083 0.656) 1.795 8.555 ( -0.543 3.666 -1.046) 3.851 8.692 ( -1.599 0.416 -0.053) 1.653 8.882 ( 2.700 -3.309 -4.961) 6.546 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 15.630 10.627 5.551) 19.699 1.040 ( 17.982 9.890 2.694) 20.699 1.663 ( 18.742 7.630 2.434) 20.382 1.769 ( -3.091 0.931 0.654) 3.294 1.832 ( 2.107 4.907 4.093) 6.728 1.942 ( 1.928 0.789 -2.944) 3.606 2.106 ( 6.732 9.786 -0.632) 11.895 2.336 ( 3.353 -5.553 1.401) 6.636 2.394 ( 5.142 -4.051 1.024) 6.626 2.421 ( -2.074 -2.973 1.845) 4.068 2.484 ( -0.858 -5.530 -2.346) 6.068 2.621 ( -0.719 -4.196 -2.512) 4.944 2.770 ( -2.103 -3.507 3.624) 5.464 2.791 ( 3.945 2.967 -2.604) 5.581 2.899 ( -2.119 2.045 -3.855) 4.851 2.961 ( -4.330 -2.891 0.114) 5.208 3.045 ( -0.328 -1.282 0.870) 1.584 3.048 ( -2.273 -0.088 2.074) 3.078 3.123 ( -1.858 4.535 -1.367) 5.088 3.263 ( 2.148 5.113 -0.398) 5.560 3.378 ( -1.186 3.749 -0.785) 4.010 3.496 ( 2.419 -5.456 2.465) 6.457 3.724 ( 0.067 3.082 0.718) 3.165 3.776 ( -0.632 -1.620 -1.395) 2.230 3.881 ( 3.416 -2.023 -2.308) 4.593 3.994 ( -0.519 -1.922 -7.380) 7.644 4.215 ( -3.917 -0.144 0.552) 3.958 4.241 ( -4.289 -0.558 3.338) 5.463 4.392 ( 0.376 -5.758 -0.635) 5.805 4.517 ( 1.918 -1.163 -2.467) 3.335 4.600 ( 1.547 -4.638 1.878) 5.238 4.736 ( -1.377 0.297 1.295) 1.914 4.783 ( 0.754 0.232 -1.781) 1.948 4.872 ( 0.891 0.828 -0.164) 1.227 4.971 ( -0.041 -1.246 2.573) 2.859 4.989 ( 0.023 -1.042 -0.376) 1.108 6.176 ( -0.481 1.593 0.728) 1.816 6.296 ( 1.261 0.381 2.142) 2.515 6.711 ( -5.486 14.138 -0.868) 15.190 7.058 ( -0.304 -1.366 -0.254) 1.422 7.208 ( 1.141 3.021 -1.125) 3.420 7.508 ( 0.334 -1.471 0.710) 1.667 8.120 ( -1.044 -0.009 -1.622) 1.929 8.237 ( -3.402 -1.786 2.411) 4.536 8.490 ( -2.571 1.313 -0.013) 2.887 8.559 ( 0.479 3.650 0.650) 3.739 8.656 ( -1.923 -0.294 -0.824) 2.113 8.907 ( 0.925 -2.592 -3.230) 4.244 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 13.866 6.893 5.199) 16.334 1.367 ( 14.239 5.630 1.105) 15.351 1.665 ( -7.255 3.000 0.211) 7.853 1.699 ( -3.553 2.183 0.143) 4.172 1.981 ( 2.609 1.604 -1.383) 3.360 2.021 ( 4.196 -0.076 1.920) 4.615 2.193 ( -0.243 -4.132 -0.094) 4.140 2.371 ( -1.863 -6.455 2.046) 7.023 2.440 ( 3.795 -2.687 -1.269) 4.820 2.525 ( 10.057 -0.023 0.555) 10.072 2.545 ( 7.752 3.876 0.111) 8.667 2.607 ( -0.190 -5.246 -2.684) 5.896 2.731 ( -2.674 -2.393 -1.407) 3.855 2.844 ( -0.486 -2.260 0.446) 2.354 2.867 ( 2.014 3.724 -2.920) 5.143 2.888 ( -2.160 -1.173 0.900) 2.618 3.003 ( -1.970 0.630 3.324) 3.915 3.044 ( 0.818 2.045 -2.090) 3.036 3.134 ( 2.061 5.005 -0.466) 5.433 3.278 ( -1.494 9.075 0.458) 9.208 3.340 ( -1.652 4.751 -1.036) 5.136 3.510 ( -2.262 -4.016 3.075) 5.541 3.689 ( -3.415 -0.451 0.504) 3.481 3.772 ( 0.467 2.010 0.011) 2.064 3.932 ( 0.824 -2.727 -4.852) 5.627 3.980 ( 2.517 -0.134 -3.118) 4.010 4.154 ( -2.052 -0.735 0.086) 2.182 4.162 ( -4.322 -0.925 3.910) 5.901 4.387 ( -0.657 -4.430 -0.732) 4.538 4.552 ( 1.702 -2.577 -1.235) 3.326 4.629 ( 1.058 -4.243 0.828) 4.451 4.713 ( -1.072 -0.632 0.987) 1.588 4.798 ( 0.852 -0.147 -1.029) 1.344 4.887 ( 0.579 0.850 0.040) 1.029 4.967 ( -0.328 -0.095 0.753) 0.827 4.984 ( -0.448 -0.851 0.132) 0.971 6.173 ( -0.026 1.650 0.589) 1.752 6.317 ( 0.600 0.163 1.374) 1.508 6.650 ( -1.403 8.514 -0.190) 8.631 7.053 ( -0.155 -2.267 -0.005) 2.272 7.227 ( 0.734 2.683 0.400) 2.811 7.515 ( 0.232 -1.730 0.504) 1.816 8.101 ( -0.460 -0.685 -1.564) 1.768 8.183 ( -2.372 -2.467 2.295) 4.120 8.445 ( -1.745 1.322 -0.059) 2.190 8.569 ( 0.398 3.752 0.636) 3.826 8.621 ( -1.346 -0.697 -0.671) 1.658 8.915 ( 0.380 -2.202 -1.520) 2.703 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -0.000 5.477 -0.000) 5.477 1.500 ( 0.000 3.317 0.000) 3.317 1.545 ( -0.000 4.742 -0.000) 4.742 1.648 ( 0.000 2.826 0.000) 2.826 2.000 ( 0.000 0.222 -0.000) 0.222 2.040 ( 0.000 2.392 -0.000) 2.392 2.180 ( -0.000 -9.434 -0.000) 9.434 2.352 ( 0.000 -6.687 0.000) 6.687 2.481 ( -0.000 -5.694 -0.000) 5.694 2.587 ( -0.000 -4.894 -0.000) 4.894 2.609 ( 0.000 -1.955 -0.000) 1.955 2.665 ( 0.000 -0.090 0.000) 0.090 2.716 ( 0.000 2.961 -0.000) 2.961 2.848 ( 0.000 -1.251 -0.000) 1.251 2.880 ( -0.000 -4.707 -0.000) 4.707 2.894 ( 0.000 3.356 0.000) 3.356 2.983 ( 0.000 2.913 0.000) 2.913 3.112 ( -0.000 7.157 0.000) 7.157 3.124 ( 0.000 6.357 -0.000) 6.357 3.231 ( -0.000 11.015 0.000) 11.015 3.330 ( 0.000 3.064 0.000) 3.064 3.458 ( 0.000 -1.238 0.000) 1.238 3.646 ( 0.000 -2.238 0.000) 2.238 3.781 ( 0.000 3.542 -0.000) 3.542 3.932 ( 0.000 -3.515 0.000) 3.515 4.031 ( -0.000 0.124 0.000) 0.124 4.104 ( 0.000 -1.785 -0.000) 1.785 4.135 ( -0.000 -1.086 -0.000) 1.086 4.377 ( 0.000 -3.731 0.000) 3.731 4.570 ( 0.000 -2.872 -0.000) 2.872 4.641 ( 0.000 -3.885 -0.000) 3.885 4.702 ( 0.000 -1.256 0.000) 1.256 4.807 ( -0.000 -0.331 -0.000) 0.331 4.893 ( 0.000 0.812 -0.000) 0.812 4.964 ( 0.000 0.084 -0.000) 0.084 4.979 ( 0.000 -0.638 0.000) 0.638 6.174 ( 0.000 1.656 -0.000) 1.656 6.324 ( 0.000 0.094 0.000) 0.094 6.638 ( 0.000 6.678 -0.000) 6.678 7.052 ( 0.000 -2.650 -0.000) 2.650 7.235 ( 0.000 2.555 -0.000) 2.555 7.518 ( 0.000 -1.825 -0.000) 1.825 8.097 ( 0.000 -1.027 -0.000) 1.027 8.160 ( 0.000 -2.475 0.000) 2.475 8.427 ( 0.000 1.285 0.000) 1.285 8.574 ( 0.000 3.862 -0.000) 3.862 8.607 ( 0.000 -0.888 -0.000) 0.888 8.918 ( 0.000 -2.091 -0.000) 2.091 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.000 22.525 0.000) 22.525 0.930 ( 0.000 23.113 0.000) 23.113 1.536 ( 0.000 29.394 0.000) 29.394 1.786 ( 0.000 -3.723 0.000) 3.723 1.928 ( 0.000 -7.635 0.000) 7.635 1.972 ( 0.000 6.362 0.000) 6.362 2.081 ( 0.000 7.927 0.000) 7.927 2.153 ( 0.000 -1.242 0.000) 1.242 2.210 ( 0.000 10.210 0.000) 10.210 2.419 ( 0.000 -4.597 0.000) 4.597 2.452 ( 0.000 -6.420 0.000) 6.420 2.493 ( 0.000 -8.910 0.000) 8.910 2.756 ( 0.000 1.669 0.000) 1.669 2.835 ( 0.000 -3.952 0.000) 3.952 2.863 ( 0.000 -2.393 0.000) 2.393 2.992 ( 0.000 -0.816 0.000) 0.816 3.003 ( 0.000 -0.489 0.000) 0.489 3.163 ( 0.000 -0.596 0.000) 0.596 3.164 ( 0.000 -2.412 0.000) 2.412 3.320 ( 0.000 6.187 0.000) 6.187 3.352 ( 0.000 4.660 0.000) 4.660 3.384 ( 0.000 -2.918 0.000) 2.918 3.634 ( 0.000 -8.516 0.000) 8.516 3.810 ( 0.000 4.696 0.000) 4.696 3.813 ( 0.000 2.761 0.000) 2.761 3.953 ( 0.000 1.278 0.000) 1.278 4.096 ( 0.000 -16.291 0.000) 16.291 4.226 ( 0.000 -7.742 0.000) 7.742 4.414 ( 0.000 3.406 0.000) 3.406 4.519 ( 0.000 -0.815 0.000) 0.815 4.546 ( 0.000 3.535 0.000) 3.535 4.752 ( 0.000 -2.745 0.000) 2.745 4.777 ( 0.000 0.920 0.000) 0.920 4.832 ( 0.000 -0.026 0.000) 0.026 4.929 ( 0.000 2.123 0.000) 2.123 4.993 ( 0.000 -0.298 0.000) 0.298 6.245 ( 0.000 1.413 0.000) 1.413 6.252 ( 0.000 1.314 0.000) 1.314 7.072 ( 0.000 1.442 0.000) 1.442 7.202 ( 0.000 -2.052 0.000) 2.052 7.239 ( 0.000 5.042 0.000) 5.042 7.473 ( 0.000 -2.176 0.000) 2.176 8.173 ( 0.000 1.731 0.000) 1.731 8.361 ( 0.000 -4.483 0.000) 4.483 8.561 ( 0.000 0.872 0.000) 0.872 8.582 ( 0.000 0.030 0.000) 0.030 8.759 ( 0.000 2.299 0.000) 2.299 8.823 ( 0.000 0.297 0.000) 0.297 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 7.427 19.887 1.846) 21.309 1.045 ( 10.222 20.163 2.777) 22.776 1.641 ( 9.045 20.409 1.527) 22.376 1.791 ( 0.606 -1.331 -0.111) 1.466 1.906 ( -1.159 0.023 1.210) 1.676 1.987 ( 0.587 3.112 -1.100) 3.353 2.122 ( 4.339 -1.351 2.420) 5.149 2.204 ( 2.468 -1.079 2.607) 3.749 2.250 ( 4.407 12.841 -0.131) 13.577 2.364 ( -3.910 -7.549 -3.240) 9.098 2.429 ( 0.125 -3.270 -0.281) 3.285 2.523 ( 0.324 -6.994 1.769) 7.221 2.760 ( -2.893 -4.178 0.990) 5.177 2.795 ( 2.142 3.154 -2.930) 4.808 2.933 ( 2.752 -2.328 -2.198) 4.222 2.982 ( -0.894 -0.587 -0.669) 1.261 3.001 ( 0.133 -0.798 0.311) 0.866 3.093 ( -3.653 -1.847 -1.962) 4.539 3.179 ( -0.531 -1.490 1.114) 1.934 3.335 ( 1.194 7.547 2.266) 7.970 3.355 ( 1.077 3.578 -0.727) 3.806 3.420 ( 2.464 -2.686 -0.059) 3.646 3.661 ( 2.745 -8.391 -2.893) 9.291 3.798 ( -0.416 3.958 1.769) 4.355 3.840 ( 1.290 2.485 0.072) 2.801 3.961 ( 0.970 0.273 -2.696) 2.878 4.111 ( 1.331 -15.084 1.117) 15.184 4.215 ( -1.281 -6.743 1.018) 6.939 4.392 ( -2.342 3.294 -0.101) 4.043 4.504 ( -1.505 -0.781 0.485) 1.763 4.549 ( 0.709 2.524 -0.244) 2.633 4.743 ( -1.040 -2.183 2.113) 3.211 4.785 ( 0.489 0.579 -1.584) 1.756 4.846 ( 1.391 -0.749 -0.415) 1.633 4.938 ( 0.723 1.385 1.372) 2.079 4.990 ( -0.264 -0.239 -0.354) 0.502 6.226 ( -0.858 2.036 0.100) 2.212 6.277 ( 1.322 0.634 1.341) 1.987 7.056 ( -2.596 1.685 3.794) 4.896 7.101 ( -7.020 2.841 -3.150) 8.203 7.257 ( 1.047 3.842 -3.240) 5.134 7.470 ( -0.163 -2.286 0.145) 2.296 8.158 ( -1.425 1.258 -0.873) 2.092 8.292 ( -5.285 -2.639 -0.046) 5.907 8.554 ( -0.955 1.178 0.385) 1.564 8.599 ( 1.098 0.617 -0.742) 1.462 8.720 ( -2.866 2.608 -0.012) 3.875 8.838 ( 1.125 -1.640 -2.843) 3.470 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 10.825 14.878 3.454) 18.721 1.282 ( 12.509 15.231 3.495) 20.016 1.761 ( 0.890 0.202 0.830) 1.234 1.811 ( -0.568 4.658 2.980) 5.558 1.934 ( 4.036 3.501 -0.907) 5.419 2.003 ( 2.939 6.327 -1.559) 7.149 2.188 ( -3.899 -5.000 1.576) 6.533 2.244 ( 6.035 -7.869 0.642) 9.937 2.277 ( -1.098 -4.491 3.006) 5.515 2.382 ( 2.511 -0.454 -1.230) 2.833 2.494 ( 7.757 9.875 -1.100) 12.605 2.511 ( 0.523 -5.701 -2.303) 6.170 2.705 ( -2.360 -3.263 1.457) 4.283 2.844 ( 1.981 2.398 -2.983) 4.310 2.921 ( -2.451 -1.141 0.989) 2.879 2.950 ( -1.500 2.691 -4.743) 5.656 3.024 ( 0.996 -0.102 -1.003) 1.418 3.036 ( -1.203 -1.327 1.078) 2.090 3.192 ( 2.401 0.287 -1.951) 3.107 3.374 ( 2.146 8.110 1.780) 8.576 3.393 ( 2.350 1.063 2.503) 3.594 3.457 ( 1.267 -1.009 -0.054) 1.621 3.714 ( 2.452 -5.213 -4.707) 7.440 3.789 ( -0.544 1.895 1.485) 2.468 3.861 ( 0.833 1.604 1.333) 2.245 3.968 ( -0.103 -1.219 -3.548) 3.753 4.140 ( 0.812 -10.489 1.734) 10.662 4.179 ( -2.594 -4.501 1.613) 5.440 4.330 ( -3.113 0.768 -0.177) 3.211 4.475 ( -1.392 -2.840 -0.237) 3.172 4.572 ( 1.412 1.411 0.501) 2.058 4.718 ( -1.699 -1.959 2.030) 3.293 4.790 ( 0.467 0.666 -1.584) 1.781 4.874 ( 1.302 -0.927 -0.610) 1.711 4.955 ( 0.536 0.133 1.777) 1.861 4.982 ( -0.398 -0.190 -0.667) 0.800 6.215 ( -0.282 2.461 0.514) 2.530 6.302 ( 0.946 0.065 1.494) 1.769 6.922 ( -7.517 7.748 -0.200) 10.797 7.039 ( -1.625 -0.616 -0.788) 1.908 7.271 ( 0.784 3.664 -0.912) 3.856 7.469 ( 0.002 -2.634 0.449) 2.672 8.121 ( -1.915 0.253 -1.319) 2.340 8.197 ( -4.177 -2.289 1.013) 4.870 8.521 ( -2.220 1.937 -0.329) 2.964 8.612 ( 0.181 0.480 -0.726) 0.889 8.669 ( -1.993 2.861 0.016) 3.487 8.853 ( 0.847 -2.980 -2.182) 3.789 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 10.765 10.437 4.013) 15.522 1.518 ( 10.237 10.215 3.164) 14.804 1.745 ( -5.097 5.146 0.661) 7.273 1.751 ( -1.568 3.099 -1.506) 3.786 1.982 ( 1.875 0.080 -1.219) 2.238 2.085 ( 2.164 3.895 1.269) 4.633 2.102 ( -3.747 -4.196 -0.422) 5.641 2.218 ( -3.361 -8.143 0.595) 8.830 2.341 ( 1.864 -8.304 1.740) 8.687 2.445 ( 4.589 -3.826 0.113) 5.976 2.495 ( 0.468 -6.589 -0.979) 6.678 2.655 ( -1.019 -5.937 1.114) 6.126 2.705 ( 6.371 7.298 -3.314) 10.239 2.814 ( -3.228 -0.429 -2.964) 4.403 2.888 ( -0.970 0.962 2.057) 2.470 2.949 ( 1.356 4.696 -3.306) 5.901 3.024 ( 0.839 0.524 -0.457) 1.090 3.100 ( 6.869 6.510 0.782) 9.496 3.244 ( 2.586 4.171 -3.009) 5.757 3.403 ( 0.704 5.537 -0.368) 5.594 3.433 ( -0.088 -0.179 5.754) 5.758 3.482 ( 1.945 4.668 0.357) 5.069 3.700 ( -3.900 3.199 -0.492) 5.069 3.799 ( 1.475 -1.614 -2.281) 3.160 3.877 ( 0.305 -1.338 -0.675) 1.530 3.959 ( 0.809 -2.400 -1.845) 3.134 4.108 ( -4.233 -4.462 2.785) 6.752 4.139 ( -1.312 -1.796 0.671) 2.323 4.300 ( -0.125 -4.082 0.116) 4.086 4.451 ( -0.800 -6.987 -0.774) 7.076 4.599 ( 1.111 0.726 0.415) 1.391 4.689 ( -1.386 -1.639 1.318) 2.519 4.799 ( 0.573 0.472 -0.977) 1.227 4.892 ( 0.633 -0.694 -0.329) 0.996 4.963 ( 0.071 -0.149 1.426) 1.435 4.973 ( -0.395 -0.236 -0.855) 0.971 6.214 ( 0.038 2.636 0.419) 2.669 6.317 ( 0.437 -0.274 0.980) 1.108 6.810 ( -3.729 7.580 -0.493) 8.462 7.010 ( -1.116 -2.209 -0.137) 2.479 7.284 ( 0.483 3.286 0.078) 3.323 7.471 ( 0.045 -2.903 0.369) 2.927 8.087 ( -1.174 -0.694 -1.194) 1.812 8.134 ( -2.428 -2.557 1.225) 3.732 8.479 ( -1.728 2.181 -0.420) 2.814 8.597 ( -1.160 -1.392 -0.948) 2.045 8.654 ( 0.067 4.500 0.585) 4.539 8.864 ( 0.489 -3.154 -1.044) 3.358 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.001 5.422 -0.000) 5.422 1.590 ( 0.001 8.689 0.000) 8.689 1.654 ( 0.000 6.371 0.000) 6.371 1.741 ( 0.000 7.516 0.000) 7.516 1.995 ( 0.000 -0.627 0.000) 0.627 2.045 ( -0.000 -4.677 -0.000) 4.677 2.110 ( 0.000 4.841 -0.000) 4.841 2.184 ( -0.000 -10.257 0.000) 10.257 2.355 ( -0.000 -7.526 -0.000) 7.526 2.479 ( 0.000 -5.934 0.000) 5.934 2.554 ( -0.000 -4.957 -0.000) 4.957 2.602 ( 0.000 -7.744 0.000) 7.744 2.764 ( -0.000 1.913 -0.000) 1.913 2.776 ( 0.000 -1.384 0.000) 1.384 2.883 ( 0.000 1.532 -0.000) 1.532 2.959 ( 0.000 2.882 0.000) 2.882 3.040 ( 0.000 3.330 0.000) 3.330 3.239 ( -0.000 8.296 -0.000) 8.296 3.249 ( 0.000 6.318 0.000) 6.318 3.407 ( 0.000 5.777 0.000) 5.777 3.418 ( 0.000 -2.909 -0.000) 2.909 3.525 ( -0.000 16.954 -0.000) 16.954 3.614 ( 0.000 -1.375 0.000) 1.375 3.842 ( -0.000 3.073 -0.000) 3.073 3.846 ( 0.000 -5.493 0.000) 5.493 4.015 ( -0.000 -7.647 0.000) 7.647 4.025 ( 0.000 -0.846 -0.000) 0.846 4.126 ( -0.000 -0.383 -0.000) 0.383 4.302 ( 0.000 -3.862 0.000) 3.862 4.443 ( 0.000 -9.771 0.000) 9.771 4.611 ( 0.000 0.482 -0.000) 0.482 4.675 ( 0.000 -1.401 -0.000) 1.401 4.805 ( -0.000 0.348 -0.000) 0.348 4.898 ( 0.000 -0.641 -0.000) 0.641 4.965 ( -0.000 0.070 -0.000) 0.070 4.966 ( 0.000 -0.423 0.000) 0.423 6.215 ( 0.000 2.674 -0.000) 2.674 6.322 ( 0.000 -0.388 0.000) 0.388 6.774 ( 0.000 6.977 -0.000) 6.977 6.999 ( 0.000 -2.888 -0.000) 2.888 7.289 ( -0.000 3.113 -0.000) 3.113 7.472 ( 0.000 -2.999 -0.000) 2.999 8.075 ( 0.000 -1.120 -0.000) 1.120 8.110 ( 0.000 -2.555 0.000) 2.555 8.460 ( 0.000 2.180 0.000) 2.180 8.583 ( 0.000 -1.612 -0.000) 1.612 8.657 ( 0.000 4.635 -0.000) 4.635 8.868 ( 0.000 -3.107 -0.000) 3.107 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.000 19.113 0.000) 19.113 1.331 ( 0.000 19.978 0.000) 19.978 1.594 ( 0.000 -13.067 0.000) 13.067 1.666 ( 0.000 -15.659 0.000) 15.659 1.973 ( 0.000 12.096 0.000) 12.096 2.074 ( 0.000 2.175 0.000) 2.175 2.170 ( 0.000 4.428 0.000) 4.428 2.203 ( 0.000 4.323 0.000) 4.323 2.310 ( 0.000 -6.524 0.000) 6.524 2.312 ( 0.000 -9.414 0.000) 9.414 2.397 ( 0.000 4.144 0.000) 4.144 2.494 ( 0.000 2.822 0.000) 2.822 2.738 ( 0.000 5.816 0.000) 5.816 2.821 ( 0.000 -2.388 0.000) 2.388 2.863 ( 0.000 8.774 0.000) 8.774 2.991 ( 0.000 0.415 0.000) 0.415 2.992 ( 0.000 -0.672 0.000) 0.672 3.129 ( 0.000 -5.480 0.000) 5.480 3.152 ( 0.000 0.845 0.000) 0.845 3.240 ( 0.000 -12.514 0.000) 12.514 3.411 ( 0.000 3.713 0.000) 3.713 3.484 ( 0.000 -5.351 0.000) 5.351 3.515 ( 0.000 12.023 0.000) 12.023 3.770 ( 0.000 -14.434 0.000) 14.434 3.871 ( 0.000 0.372 0.000) 0.372 3.874 ( 0.000 1.571 0.000) 1.571 3.989 ( 0.000 3.575 0.000) 3.575 4.090 ( 0.000 -6.766 0.000) 6.766 4.470 ( 0.000 2.469 0.000) 2.469 4.503 ( 0.000 -1.163 0.000) 1.163 4.617 ( 0.000 3.961 0.000) 3.961 4.689 ( 0.000 -3.758 0.000) 3.758 4.799 ( 0.000 1.376 0.000) 1.376 4.823 ( 0.000 -0.993 0.000) 0.993 4.963 ( 0.000 1.471 0.000) 1.471 4.983 ( 0.000 -0.750 0.000) 0.750 6.266 ( 0.000 0.750 0.000) 0.750 6.269 ( 0.000 0.444 0.000) 0.444 7.109 ( 0.000 2.463 0.000) 2.463 7.158 ( 0.000 -2.618 0.000) 2.618 7.334 ( 0.000 4.986 0.000) 4.986 7.417 ( 0.000 -3.831 0.000) 3.831 8.216 ( 0.000 2.894 0.000) 2.894 8.281 ( 0.000 -4.013 0.000) 4.013 8.574 ( 0.000 0.501 0.000) 0.501 8.580 ( 0.000 -0.195 0.000) 0.195 8.798 ( 0.000 1.741 0.000) 1.741 8.820 ( 0.000 -0.621 0.000) 0.621 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 4.136 17.513 1.246) 18.038 1.407 ( 6.890 18.219 1.473) 19.534 1.619 ( 2.416 -11.708 0.908) 11.989 1.722 ( 4.981 -13.986 1.154) 14.892 1.986 ( 0.782 9.801 1.650) 9.970 2.061 ( -0.856 2.959 -2.390) 3.899 2.134 ( -1.040 1.645 1.771) 2.632 2.208 ( -5.258 -4.918 -0.525) 7.218 2.240 ( 0.059 1.004 3.294) 3.444 2.349 ( 0.611 -5.875 1.308) 6.050 2.419 ( 1.979 4.097 -1.299) 4.732 2.540 ( 2.834 -1.875 1.145) 3.586 2.741 ( 0.951 8.812 -2.621) 9.243 2.838 ( 1.991 -1.146 -3.077) 3.840 2.907 ( 3.425 5.935 -1.817) 7.089 2.979 ( -0.324 -0.345 -0.362) 0.596 2.995 ( 0.352 0.909 1.033) 1.420 3.080 ( -2.742 -0.773 -3.347) 4.395 3.154 ( -0.614 -0.495 -0.155) 0.804 3.282 ( 3.820 -13.061 -0.876) 13.636 3.425 ( 1.305 3.591 0.367) 3.838 3.497 ( 1.369 -3.435 0.273) 3.708 3.542 ( 2.486 10.095 0.707) 10.421 3.791 ( 1.781 -12.883 2.487) 13.242 3.870 ( -0.105 -0.453 0.802) 0.928 3.879 ( 0.125 0.673 1.477) 1.627 3.996 ( 0.842 3.364 -2.285) 4.154 4.091 ( 0.012 -6.304 -0.680) 6.341 4.449 ( -2.316 2.589 -0.245) 3.483 4.485 ( -1.973 -1.301 -0.001) 2.363 4.613 ( -0.235 3.862 1.004) 3.997 4.685 ( -0.628 -3.736 1.658) 4.135 4.803 ( 0.394 1.284 -0.804) 1.565 4.828 ( 0.615 -1.221 -0.494) 1.454 4.965 ( 0.094 1.246 0.356) 1.300 4.982 ( -0.146 -0.637 -0.085) 0.659 6.261 ( -0.195 1.584 0.307) 1.625 6.280 ( 0.612 -0.414 0.769) 1.067 7.086 ( -2.392 1.743 0.761) 3.056 7.114 ( -4.079 -0.927 -0.632) 4.230 7.337 ( 0.304 4.513 -0.685) 4.575 7.415 ( -0.184 -3.688 -0.101) 3.694 8.190 ( -2.429 2.172 -0.646) 3.322 8.238 ( -3.750 -2.930 -0.373) 4.774 8.575 ( -0.118 1.104 0.213) 1.131 8.594 ( 0.839 -0.822 0.009) 1.175 8.771 ( -2.121 2.518 -0.988) 3.437 8.810 ( -0.756 -1.636 -1.913) 2.629 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 6.603 13.863 2.575) 15.570 1.564 ( 7.660 12.294 3.230) 14.841 1.689 ( 4.625 -5.625 0.670) 7.313 1.825 ( 4.088 -7.125 2.259) 8.519 1.984 ( -0.953 4.008 -0.069) 4.120 2.056 ( -0.679 -2.542 -1.963) 3.283 2.108 ( -2.193 -2.176 1.977) 3.668 2.146 ( 0.146 -2.886 1.185) 3.124 2.225 ( -1.441 3.963 1.104) 4.359 2.354 ( -0.119 -6.796 0.090) 6.798 2.443 ( 0.421 4.537 -0.722) 4.614 2.565 ( -0.671 -6.190 2.560) 6.732 2.771 ( 1.885 7.243 -3.982) 8.478 2.849 ( -1.121 -2.416 -3.182) 4.149 2.938 ( -0.301 3.091 -0.368) 3.127 2.987 ( 0.105 -2.172 -0.200) 2.184 3.029 ( 1.787 5.400 -3.942) 6.921 3.079 ( 6.509 3.341 -3.722) 8.208 3.171 ( 3.361 2.578 0.141) 4.238 3.360 ( 3.616 -8.715 -1.311) 9.526 3.459 ( 2.005 3.158 0.734) 3.812 3.542 ( 3.149 -2.840 0.407) 4.260 3.603 ( 3.336 8.116 1.895) 8.977 3.822 ( -0.137 -4.528 5.144) 6.855 3.872 ( -0.083 -3.916 -0.246) 3.925 3.887 ( 1.111 -2.505 1.304) 3.035 4.014 ( 1.420 1.475 -2.978) 3.614 4.085 ( -0.585 -5.004 -0.598) 5.074 4.374 ( -5.084 2.972 -0.403) 5.903 4.426 ( -3.920 -2.570 -0.372) 4.702 4.616 ( 0.347 2.918 1.623) 3.357 4.672 ( -0.935 -2.887 2.259) 3.784 4.811 ( 0.529 1.527 -1.141) 1.978 4.844 ( 1.022 -1.934 -0.704) 2.298 4.967 ( 0.003 0.758 0.496) 0.906 4.977 ( -0.307 -0.389 -0.145) 0.516 6.260 ( 0.074 2.244 0.557) 2.314 6.293 ( 0.521 -1.131 0.942) 1.561 7.010 ( -5.383 2.334 0.285) 5.874 7.032 ( -3.439 -0.451 -0.835) 3.568 7.342 ( 0.294 3.897 -0.298) 3.919 7.412 ( -0.093 -3.503 0.122) 3.507 8.132 ( -2.992 0.955 -0.852) 3.254 8.158 ( -3.896 -1.825 -0.139) 4.305 8.559 ( -1.597 2.033 -0.541) 2.641 8.594 ( -0.962 -1.681 -0.669) 2.049 8.737 ( -0.852 3.612 -0.663) 3.770 8.798 ( -0.000 -3.027 -1.432) 3.348 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 6.755 9.304 3.168) 11.926 1.679 ( 3.235 2.228 3.716) 5.407 1.809 ( 6.854 5.889 0.118) 9.038 1.850 ( -1.764 4.931 1.074) 5.346 1.977 ( 0.381 -2.710 -1.909) 3.337 2.003 ( -2.121 -2.952 -0.017) 3.635 2.092 ( -3.646 -3.910 -1.039) 5.446 2.138 ( 0.443 -6.143 1.748) 6.402 2.232 ( 1.875 4.243 0.307) 4.649 2.357 ( 0.714 -7.566 -0.475) 7.614 2.434 ( -0.815 2.595 -0.008) 2.720 2.530 ( -3.124 -6.810 1.527) 7.646 2.783 ( 0.100 1.917 -2.453) 3.114 2.805 ( -2.024 -0.712 -2.805) 3.531 2.924 ( -0.644 2.541 0.835) 2.750 2.969 ( -0.866 -1.974 0.445) 2.202 3.101 ( 4.710 7.048 -4.208) 9.464 3.220 ( 6.506 -4.149 -4.682) 9.025 3.279 ( 6.424 9.155 0.554) 11.198 3.399 ( 0.435 -2.572 -0.065) 2.609 3.510 ( 3.179 4.240 0.427) 5.317 3.603 ( 1.789 3.571 3.220) 5.131 3.680 ( 4.226 -1.079 -0.062) 4.362 3.811 ( -0.875 0.486 3.934) 4.059 3.856 ( -1.205 -1.923 -1.517) 2.730 3.908 ( -0.136 -1.613 1.392) 2.135 4.032 ( -0.366 -1.557 -1.493) 2.188 4.074 ( 0.594 -4.459 -0.243) 4.505 4.274 ( -4.003 1.511 -0.236) 4.285 4.337 ( -4.669 -4.910 -0.733) 6.815 4.627 ( 0.370 1.807 1.194) 2.197 4.659 ( -0.652 -1.628 1.552) 2.341 4.820 ( 0.510 1.775 -0.843) 2.030 4.861 ( 0.658 -2.325 -0.471) 2.462 4.966 ( -0.100 0.330 0.427) 0.549 4.970 ( -0.321 -0.131 -0.200) 0.401 6.264 ( 0.147 2.530 0.409) 2.567 6.302 ( 0.275 -1.465 0.633) 1.619 6.917 ( -3.579 3.986 -0.319) 5.367 6.971 ( -2.406 -2.219 -0.289) 3.286 7.347 ( 0.177 3.481 0.053) 3.485 7.411 ( -0.018 -3.408 0.191) 3.413 8.081 ( -1.868 0.141 -0.650) 1.983 8.096 ( -2.298 -1.457 0.129) 2.724 8.522 ( -1.620 2.390 -0.710) 2.973 8.564 ( -1.457 -2.074 -0.849) 2.673 8.734 ( 0.274 3.967 0.023) 3.977 8.802 ( 0.408 -3.451 -0.522) 3.514 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -0.000 4.225 -0.000) 4.225 1.711 ( 0.000 1.968 -0.000) 1.968 1.795 ( 0.000 9.760 0.000) 9.760 1.922 ( 0.000 10.230 -0.000) 10.230 1.985 ( -0.000 -0.268 -0.000) 0.268 1.990 ( 0.000 -9.977 0.000) 9.977 2.005 ( -0.000 0.418 -0.000) 0.418 2.149 ( -0.000 -7.246 -0.000) 7.246 2.256 ( -0.000 2.939 -0.000) 2.939 2.365 ( 0.000 -6.353 -0.000) 6.353 2.458 ( -0.001 -3.997 -0.000) 3.997 2.459 ( 0.001 -4.893 0.000) 4.893 2.778 ( 0.000 0.600 -0.000) 0.600 2.783 ( 0.000 0.269 0.000) 0.269 2.919 ( 0.000 2.341 -0.000) 2.341 2.962 ( 0.000 -1.820 0.000) 1.820 3.152 ( 0.000 7.912 0.000) 7.912 3.284 ( 0.000 -4.560 -0.000) 4.560 3.362 ( -0.000 3.894 0.000) 3.894 3.388 ( 0.000 0.477 0.000) 0.477 3.564 ( 0.000 10.111 0.000) 10.111 3.611 ( 0.000 1.662 -0.000) 1.662 3.730 ( -0.000 -3.239 0.000) 3.239 3.823 ( 0.000 11.052 0.000) 11.052 3.827 ( -0.000 -10.711 -0.000) 10.711 3.898 ( 0.000 1.271 -0.000) 1.271 4.009 ( 0.000 0.233 0.000) 0.233 4.092 ( -0.000 -4.796 0.000) 4.796 4.246 ( 0.000 -1.788 0.000) 1.788 4.271 ( 0.000 -6.225 0.000) 6.225 4.632 ( 0.000 1.296 -0.000) 1.296 4.653 ( 0.000 -1.043 -0.000) 1.043 4.825 ( -0.000 1.817 -0.000) 1.817 4.867 ( 0.000 -2.370 -0.000) 2.370 4.965 ( 0.000 0.119 -0.000) 0.119 4.966 ( 0.000 0.025 -0.000) 0.025 6.266 ( 0.000 2.586 -0.000) 2.586 6.305 ( 0.000 -1.539 -0.000) 1.539 6.880 ( 0.000 4.417 -0.000) 4.417 6.946 ( 0.000 -2.952 -0.000) 2.952 7.349 ( 0.000 3.327 -0.000) 3.327 7.411 ( 0.000 -3.381 -0.000) 3.381 8.062 ( 0.000 -0.153 -0.000) 0.153 8.073 ( 0.000 -1.343 0.000) 1.343 8.504 ( 0.000 2.438 0.000) 2.438 8.548 ( 0.000 -2.167 -0.000) 2.167 8.738 ( 0.000 3.999 -0.000) 3.999 8.806 ( 0.000 -3.467 -0.000) 3.467 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -0.555 0.000 21.643) 21.650 0.451 ( 1.251 0.000 22.603) 22.638 0.775 ( 2.830 0.000 38.147) 38.252 1.777 ( 0.905 0.000 -3.318) 3.439 1.826 ( -0.726 0.000 -3.301) 3.380 1.887 ( 1.895 0.000 -1.427) 2.372 2.180 ( -0.125 0.000 3.357) 3.359 2.258 ( 2.046 0.000 0.175) 2.054 2.258 ( 0.581 0.000 -1.527) 1.634 2.500 ( 1.245 0.000 -2.375) 2.681 2.569 ( 3.166 0.000 -5.399) 6.259 2.678 ( -2.312 0.000 0.348) 2.338 2.684 ( -1.857 0.000 -0.519) 1.929 2.829 ( 4.358 0.000 4.446) 6.225 2.913 ( -0.604 0.000 -4.886) 4.923 2.992 ( -0.014 0.000 0.638) 0.638 3.049 ( 1.387 0.000 0.239) 1.407 3.099 ( -0.926 0.000 1.658) 1.899 3.211 ( -0.818 0.000 2.674) 2.796 3.240 ( -0.346 0.000 3.563) 3.580 3.447 ( 0.727 0.000 1.495) 1.663 3.504 ( 2.508 0.000 -0.681) 2.599 3.565 ( -2.430 0.000 0.305) 2.449 3.743 ( -1.905 0.000 -4.373) 4.770 3.794 ( -9.237 0.000 0.343) 9.243 3.889 ( -1.981 0.000 -1.900) 2.745 4.283 ( 1.542 0.000 -1.947) 2.484 4.328 ( 0.692 0.000 -0.454) 0.827 4.395 ( 0.755 0.000 2.301) 2.422 4.430 ( -0.280 0.000 -2.102) 2.120 4.640 ( 1.280 0.000 0.409) 1.344 4.697 ( 0.270 0.000 -5.354) 5.361 4.754 ( -0.809 0.000 0.595) 1.004 4.856 ( 0.155 0.000 1.168) 1.178 4.957 ( 4.324 0.000 -0.868) 4.410 4.990 ( 0.065 0.000 -0.698) 0.701 6.264 ( -0.420 0.000 5.420) 5.437 6.375 ( 0.538 0.000 4.518) 4.549 6.505 ( 0.198 0.000 1.268) 1.283 7.041 ( 0.211 0.000 -3.585) 3.591 7.395 ( -11.487 0.000 10.577) 15.615 7.539 ( 0.378 0.000 3.121) 3.144 8.114 ( -0.647 0.000 -3.060) 3.127 8.326 ( 1.558 0.000 1.772) 2.360 8.495 ( 2.037 0.000 -0.870) 2.215 8.532 ( 0.291 0.000 -1.141) 1.177 8.623 ( 5.148 0.000 1.931) 5.498 8.708 ( -0.873 0.000 0.426) 0.972 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 15.897 0.000 14.685) 21.641 0.705 ( 17.949 0.000 14.287) 22.941 1.139 ( 25.604 0.000 26.528) 36.868 1.802 ( -1.537 0.000 -2.409) 2.858 1.802 ( 2.403 0.000 -4.151) 4.797 1.935 ( 3.566 0.000 -0.493) 3.600 2.072 ( -8.049 0.000 5.763) 9.899 2.282 ( 2.865 0.000 -2.878) 4.061 2.342 ( 5.845 0.000 0.652) 5.881 2.493 ( -1.422 0.000 -2.527) 2.900 2.589 ( -1.101 0.000 -2.772) 2.983 2.621 ( -3.349 0.000 -1.125) 3.533 2.647 ( -0.209 0.000 -2.065) 2.075 2.877 ( -2.180 0.000 -3.213) 3.883 2.912 ( 1.802 0.000 6.112) 6.372 3.019 ( 1.646 0.000 -4.626) 4.910 3.082 ( 1.687 0.000 -0.798) 1.867 3.119 ( 2.033 0.000 1.427) 2.484 3.165 ( -3.879 0.000 2.433) 4.579 3.202 ( -4.566 0.000 5.787) 7.372 3.379 ( -5.315 0.000 -0.727) 5.364 3.570 ( 4.526 0.000 0.583) 4.563 3.592 ( 3.246 0.000 0.943) 3.380 3.741 ( 2.302 0.000 -6.036) 6.460 3.781 ( 2.265 0.000 -1.356) 2.640 3.881 ( 0.453 0.000 -2.498) 2.539 4.295 ( -0.150 0.000 -0.223) 0.268 4.303 ( -3.092 0.000 0.527) 3.136 4.411 ( 0.619 0.000 0.337) 0.704 4.434 ( 1.108 0.000 -3.410) 3.586 4.672 ( 1.628 0.000 0.014) 1.628 4.685 ( -0.603 0.000 -5.334) 5.368 4.753 ( 0.617 0.000 1.429) 1.556 4.866 ( 0.597 0.000 1.112) 1.262 4.972 ( -0.616 0.000 -1.615) 1.729 5.020 ( 1.287 0.000 -2.074) 2.441 6.253 ( -1.286 0.000 6.241) 6.372 6.383 ( -0.147 0.000 6.168) 6.169 6.520 ( 0.990 0.000 1.190) 1.548 7.037 ( 0.090 0.000 -3.831) 3.832 7.298 ( -1.741 0.000 15.781) 15.877 7.553 ( 0.504 0.000 3.629) 3.664 8.089 ( -1.197 0.000 -3.740) 3.927 8.337 ( -0.795 0.000 2.063) 2.211 8.518 ( -1.470 0.000 -0.770) 1.659 8.526 ( 1.167 0.000 0.546) 1.289 8.680 ( -1.852 0.000 -0.349) 1.884 8.754 ( 5.890 0.000 -4.550) 7.443 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 16.937 0.000 7.495) 18.521 1.059 ( 15.594 0.000 13.553) 20.661 1.712 ( 23.057 0.000 10.466) 25.322 1.753 ( -3.034 0.000 -1.121) 3.235 1.841 ( 2.431 0.000 -3.683) 4.413 1.954 ( -1.220 0.000 7.949) 8.042 2.022 ( 4.390 0.000 1.351) 4.593 2.353 ( 4.512 0.000 -3.869) 5.944 2.432 ( -0.835 0.000 -0.023) 0.835 2.475 ( 3.997 0.000 -4.283) 5.858 2.531 ( -3.167 0.000 -1.459) 3.487 2.549 ( -3.275 0.000 -1.878) 3.775 2.695 ( 4.449 0.000 -3.929) 5.936 2.836 ( -1.122 0.000 -0.983) 1.491 2.917 ( -1.128 0.000 3.693) 3.862 3.035 ( -7.915 0.000 1.388) 8.036 3.055 ( 2.198 0.000 -0.192) 2.206 3.076 ( -6.082 0.000 3.902) 7.226 3.150 ( 1.098 0.000 2.928) 3.127 3.154 ( 0.788 0.000 0.519) 0.944 3.303 ( -2.066 0.000 -0.608) 2.154 3.653 ( 2.237 0.000 1.403) 2.641 3.656 ( 2.824 0.000 1.900) 3.404 3.771 ( -1.881 0.000 -2.979) 3.523 3.794 ( 3.823 0.000 -6.638) 7.660 3.897 ( 0.959 0.000 -2.314) 2.505 4.227 ( -4.218 0.000 1.103) 4.360 4.274 ( -2.077 0.000 1.304) 2.452 4.417 ( -0.007 0.000 -0.429) 0.429 4.463 ( 2.499 0.000 -4.722) 5.342 4.661 ( -0.772 0.000 -5.178) 5.235 4.694 ( 0.722 0.000 -1.657) 1.807 4.782 ( 1.809 0.000 2.791) 3.327 4.881 ( 0.717 0.000 1.031) 1.255 4.954 ( -0.792 0.000 -1.762) 1.932 5.024 ( -0.351 0.000 -0.824) 0.896 6.239 ( -1.187 0.000 6.593) 6.699 6.386 ( -0.513 0.000 5.356) 5.381 6.544 ( 1.165 0.000 0.734) 1.377 7.034 ( 0.224 0.000 -4.229) 4.235 7.308 ( -0.487 0.000 12.617) 12.626 7.567 ( 0.223 0.000 3.878) 3.884 8.060 ( -0.947 0.000 -4.289) 4.392 8.303 ( -2.858 0.000 1.115) 3.068 8.479 ( -2.223 0.000 -0.058) 2.224 8.545 ( 0.596 0.000 1.302) 1.432 8.642 ( -1.735 0.000 -0.713) 1.876 8.831 ( 3.143 0.000 -4.823) 5.757 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 12.940 0.000 3.164) 13.321 1.350 ( 11.843 0.000 11.808) 16.724 1.672 ( -10.075 0.000 2.118) 10.296 1.692 ( -2.701 0.000 0.686) 2.787 1.945 ( 3.014 0.000 -0.488) 3.053 2.062 ( -1.157 0.000 1.850) 2.182 2.302 ( 19.256 0.000 6.547) 20.338 2.382 ( -4.041 0.000 -0.357) 4.057 2.435 ( 5.502 0.000 -3.717) 6.640 2.490 ( 0.287 0.000 -3.074) 3.088 2.499 ( 1.468 0.000 -7.790) 7.927 2.585 ( 5.334 0.000 -0.651) 5.373 2.785 ( 4.843 0.000 -3.798) 6.155 2.817 ( -5.144 0.000 5.975) 7.884 2.875 ( -2.457 0.000 -4.451) 5.084 2.907 ( -0.001 0.000 2.959) 2.959 2.984 ( -4.219 0.000 4.627) 6.262 3.071 ( -2.205 0.000 -0.224) 2.216 3.154 ( 0.314 0.000 1.186) 1.227 3.169 ( -0.344 0.000 5.151) 5.162 3.288 ( 0.373 0.000 -0.043) 0.376 3.597 ( -7.941 0.000 -0.123) 7.942 3.703 ( 1.480 0.000 2.856) 3.217 3.724 ( -2.159 0.000 -2.228) 3.102 3.865 ( 4.604 0.000 -6.903) 8.298 3.945 ( 4.317 0.000 1.473) 4.561 4.162 ( -2.414 0.000 0.181) 2.420 4.219 ( -3.738 0.000 1.781) 4.140 4.413 ( -0.171 0.000 -0.206) 0.268 4.508 ( 2.615 0.000 -5.084) 5.717 4.644 ( -0.085 0.000 -4.933) 4.933 4.696 ( -0.152 0.000 -2.437) 2.442 4.821 ( 1.454 0.000 2.844) 3.194 4.893 ( 0.298 0.000 0.944) 0.990 4.937 ( -0.667 0.000 -1.939) 2.050 5.012 ( -0.613 0.000 0.231) 0.655 6.226 ( -1.156 0.000 6.116) 6.224 6.377 ( -1.177 0.000 4.032) 4.200 6.563 ( 0.606 0.000 0.133) 0.620 7.034 ( 0.508 0.000 -4.486) 4.515 7.306 ( -1.477 0.000 9.458) 9.572 7.572 ( -0.373 0.000 3.625) 3.644 8.045 ( 0.205 0.000 -4.540) 4.544 8.237 ( -3.605 0.000 -0.557) 3.647 8.441 ( -1.548 0.000 0.670) 1.686 8.551 ( -0.239 0.000 1.260) 1.282 8.617 ( -0.592 0.000 -0.359) 0.692 8.873 ( 1.996 0.000 -4.225) 4.673 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -12.263 0.000 4.774) 13.160 1.501 ( 0.912 0.000 0.449) 1.017 1.563 ( 6.462 0.000 7.572) 9.955 1.655 ( -1.352 0.000 2.852) 3.156 1.985 ( 0.900 0.000 -0.459) 1.011 2.037 ( 0.220 0.000 1.474) 1.490 2.283 ( -4.677 0.000 -3.631) 5.921 2.414 ( 0.413 0.000 2.103) 2.143 2.494 ( 0.654 0.000 -3.645) 3.703 2.507 ( -1.867 0.000 -4.673) 5.032 2.660 ( 0.459 0.000 -3.247) 3.279 2.667 ( 7.276 0.000 -0.246) 7.280 2.763 ( 5.398 0.000 2.563) 5.975 2.815 ( -5.570 0.000 -0.930) 5.647 2.909 ( 2.035 0.000 -1.436) 2.491 2.927 ( -1.423 0.000 6.951) 7.095 2.936 ( 1.264 0.000 -0.882) 1.541 2.981 ( -1.483 0.000 0.973) 1.774 3.157 ( -1.572 0.000 6.937) 7.113 3.176 ( 0.179 0.000 0.924) 0.941 3.305 ( 0.998 0.000 0.498) 1.115 3.431 ( -4.623 0.000 -3.298) 5.679 3.706 ( 0.593 0.000 -1.430) 1.548 3.722 ( 0.015 0.000 3.070) 3.071 3.955 ( 5.492 0.000 -5.792) 7.982 4.027 ( 2.416 0.000 5.038) 5.587 4.136 ( -4.826 0.000 1.092) 4.948 4.137 ( 0.582 0.000 -1.319) 1.442 4.421 ( 1.155 0.000 -0.013) 1.155 4.539 ( 1.157 0.000 -4.860) 4.996 4.643 ( 0.706 0.000 -4.519) 4.574 4.682 ( -0.794 0.000 -2.833) 2.942 4.842 ( 0.196 0.000 2.606) 2.613 4.894 ( -0.438 0.000 0.866) 0.971 4.922 ( -0.472 0.000 -2.325) 2.372 5.004 ( -0.277 0.000 0.582) 0.645 6.214 ( -1.055 0.000 5.563) 5.662 6.355 ( -1.555 0.000 3.035) 3.410 6.565 ( -0.318 0.000 -0.292) 0.432 7.038 ( 0.544 0.000 -4.398) 4.432 7.287 ( -1.480 0.000 7.883) 8.021 7.564 ( -0.899 0.000 2.888) 3.025 8.058 ( 1.857 0.000 -4.270) 4.656 8.173 ( -2.357 0.000 -2.112) 3.165 8.425 ( -0.144 0.000 0.990) 1.000 8.540 ( -0.944 0.000 0.579) 1.107 8.620 ( 0.841 0.000 0.488) 0.972 8.899 ( 1.343 0.000 -3.958) 4.179 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -15.369 0.000 7.049) 16.908 1.344 ( -15.018 0.000 2.686) 15.256 1.664 ( 2.621 0.000 2.803) 3.837 1.686 ( 3.576 0.000 1.356) 3.824 1.960 ( -4.969 0.000 1.473) 5.183 2.025 ( -3.711 0.000 -0.737) 3.783 2.258 ( 3.961 0.000 -5.882) 7.092 2.354 ( -13.723 0.000 8.858) 16.334 2.425 ( -4.296 0.000 -2.601) 5.022 2.471 ( -1.155 0.000 -6.107) 6.215 2.573 ( -6.413 0.000 2.858) 7.022 2.699 ( 3.488 0.000 -2.096) 4.069 2.732 ( -0.675 0.000 -2.704) 2.787 2.854 ( -0.086 0.000 0.431) 0.440 2.891 ( -5.301 0.000 -0.763) 5.355 2.943 ( 6.252 0.000 -1.000) 6.331 2.980 ( 2.624 0.000 7.757) 8.189 3.027 ( 2.100 0.000 0.309) 2.123 3.143 ( -0.457 0.000 6.769) 6.784 3.174 ( 1.252 0.000 -0.106) 1.257 3.325 ( 0.929 0.000 1.012) 1.374 3.454 ( 4.081 0.000 -6.367) 7.562 3.717 ( -0.924 0.000 3.108) 3.242 3.732 ( 2.086 0.000 -2.493) 3.250 4.021 ( -3.578 0.000 1.109) 3.746 4.060 ( 2.001 0.000 3.291) 3.851 4.073 ( 3.734 0.000 -5.570) 6.705 4.189 ( 3.767 0.000 2.758) 4.669 4.454 ( 2.004 0.000 -1.382) 2.435 4.535 ( -0.845 0.000 -4.271) 4.354 4.655 ( 1.135 0.000 -4.178) 4.330 4.658 ( -1.090 0.000 -2.829) 3.031 4.837 ( -1.051 0.000 2.388) 2.609 4.881 ( -0.889 0.000 0.843) 1.225 4.910 ( -0.469 0.000 -3.178) 3.213 5.003 ( 0.006 0.000 0.295) 0.295 6.206 ( -0.457 0.000 5.573) 5.592 6.330 ( -1.422 0.000 2.978) 3.300 6.551 ( -1.048 0.000 -0.255) 1.078 7.040 ( 0.362 0.000 -4.086) 4.102 7.286 ( 0.306 0.000 9.213) 9.218 7.549 ( -0.988 0.000 2.266) 2.472 8.099 ( 2.373 0.000 -2.619) 3.534 8.147 ( 0.596 0.000 -3.596) 3.645 8.438 ( 1.311 0.000 0.754) 1.513 8.519 ( -1.069 0.000 -0.261) 1.101 8.648 ( 1.733 0.000 1.242) 2.132 8.910 ( 0.337 0.000 -4.903) 4.914 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -16.244 0.000 11.627) 19.976 0.995 ( -20.214 0.000 6.172) 21.136 1.611 ( -23.323 0.000 5.654) 23.998 1.725 ( -4.507 0.000 1.153) 4.652 1.767 ( 4.037 0.000 0.418) 4.059 1.930 ( -4.262 0.000 -4.295) 6.051 2.111 ( -6.902 0.000 11.302) 13.243 2.330 ( -1.344 0.000 -3.107) 3.385 2.371 ( 3.237 0.000 -3.594) 4.836 2.416 ( -4.432 0.000 -3.442) 5.612 2.564 ( 1.795 0.000 -1.079) 2.095 2.712 ( -0.190 0.000 -3.147) 3.153 2.738 ( -0.425 0.000 2.462) 2.498 2.781 ( -4.677 0.000 0.723) 4.733 2.865 ( 2.760 0.000 -6.052) 6.652 3.012 ( 0.952 0.000 3.081) 3.225 3.045 ( -0.097 0.000 0.454) 0.464 3.080 ( 5.406 0.000 5.560) 7.755 3.172 ( 2.182 0.000 4.644) 5.131 3.202 ( 0.388 0.000 0.961) 1.036 3.349 ( 1.521 0.000 1.000) 1.820 3.481 ( -0.200 0.000 -6.787) 6.790 3.693 ( -2.143 0.000 3.159) 3.817 3.777 ( 3.114 0.000 -3.789) 4.904 3.919 ( -5.410 0.000 -0.649) 5.448 4.142 ( 5.372 0.000 -0.352) 5.383 4.163 ( 4.823 0.000 -4.101) 6.330 4.270 ( 3.452 0.000 5.393) 6.403 4.474 ( -0.221 0.000 -5.980) 5.984 4.498 ( -2.074 0.000 -3.409) 3.990 4.635 ( -0.786 0.000 -2.013) 2.161 4.673 ( 1.402 0.000 -4.537) 4.749 4.811 ( -1.773 0.000 1.773) 2.508 4.865 ( -0.753 0.000 1.012) 1.262 4.888 ( -1.247 0.000 -3.620) 3.829 5.002 ( -0.188 0.000 -0.275) 0.333 6.218 ( 0.790 0.000 6.132) 6.183 6.314 ( -0.598 0.000 4.409) 4.449 6.528 ( -1.203 0.000 0.251) 1.229 7.040 ( 0.310 0.000 -3.782) 3.795 7.344 ( 4.189 0.000 13.401) 14.040 7.536 ( -0.640 0.000 2.223) 2.313 8.119 ( 0.535 0.000 -1.982) 2.053 8.197 ( 4.102 0.000 -2.561) 4.836 8.474 ( 2.090 0.000 -0.002) 2.090 8.501 ( -0.628 0.000 -0.850) 1.057 8.685 ( 1.630 0.000 1.492) 2.210 8.882 ( -2.907 0.000 -9.435) 9.873 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -13.420 0.000 17.799) 22.291 0.619 ( -18.025 0.000 13.689) 22.634 1.027 ( -30.064 0.000 21.286) 36.837 1.741 ( 2.827 0.000 -0.461) 2.864 1.831 ( 1.926 0.000 -0.502) 1.991 1.868 ( -0.887 0.000 -4.577) 4.662 2.065 ( 0.862 0.000 15.249) 15.273 2.269 ( -2.621 0.000 -0.955) 2.789 2.312 ( -4.771 0.000 -3.048) 5.662 2.452 ( 3.913 0.000 -3.496) 5.247 2.568 ( -0.812 0.000 -7.782) 7.824 2.714 ( -1.754 0.000 1.876) 2.568 2.722 ( -1.994 0.000 0.578) 2.077 2.745 ( 3.521 0.000 2.838) 4.523 2.909 ( 1.990 0.000 -6.824) 7.108 3.028 ( 0.575 0.000 2.758) 2.818 3.030 ( -1.558 0.000 -0.519) 1.642 3.163 ( -4.370 0.000 1.014) 4.486 3.178 ( 3.456 0.000 4.456) 5.639 3.220 ( 1.650 0.000 2.852) 3.295 3.393 ( 2.903 0.000 0.723) 2.991 3.469 ( 0.847 0.000 -3.962) 4.052 3.639 ( -3.852 0.000 2.333) 4.504 3.817 ( -4.600 0.000 -2.341) 5.161 3.833 ( 2.749 0.000 -4.531) 5.300 4.193 ( -6.597 0.000 -13.167) 14.727 4.239 ( 3.369 0.000 -3.015) 4.521 4.311 ( -1.064 0.000 -1.520) 1.856 4.389 ( -3.437 0.000 -2.697) 4.369 4.453 ( -1.746 0.000 -2.358) 2.934 4.626 ( 0.164 0.000 -0.700) 0.719 4.691 ( 1.115 0.000 -5.317) 5.432 4.778 ( -1.685 0.000 0.973) 1.946 4.856 ( -0.341 0.000 1.158) 1.207 4.875 ( 1.644 0.000 2.124) 2.686 4.996 ( -0.286 0.000 -0.545) 0.616 6.249 ( 0.953 0.000 5.688) 5.768 6.333 ( 1.890 0.000 6.072) 6.360 6.509 ( -0.707 0.000 0.892) 1.138 7.041 ( 0.328 0.000 -3.590) 3.604 7.482 ( 5.252 0.000 10.403) 11.653 7.532 ( -0.092 0.000 2.816) 2.818 8.123 ( 0.132 0.000 -2.464) 2.468 8.273 ( 3.527 0.000 0.050) 3.528 8.491 ( -0.455 0.000 -1.703) 1.763 8.512 ( 1.726 0.000 -0.850) 1.923 8.710 ( 0.576 0.000 1.158) 1.294 8.718 ( -11.881 0.000 -12.433) 17.197 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 2.354 17.532 12.932) 21.912 0.653 ( 0.942 17.154 16.056) 23.515 1.117 ( 0.479 29.008 23.137) 37.108 1.792 ( 0.535 0.757 -2.399) 2.572 1.859 ( -0.194 3.491 -3.164) 4.716 1.919 ( 2.300 3.581 -1.916) 4.667 2.110 ( -0.229 -2.119 9.673) 9.905 2.195 ( 0.689 -5.520 -1.927) 5.887 2.239 ( 1.167 -2.273 2.223) 3.387 2.476 ( 1.035 -2.606 -1.414) 3.140 2.515 ( -0.232 -4.656 -4.383) 6.398 2.645 ( -0.751 -3.513 0.238) 3.601 2.712 ( -1.502 1.853 0.058) 2.386 2.821 ( 3.208 0.265 1.014) 3.375 2.903 ( -2.936 -1.454 -2.940) 4.402 2.988 ( 0.046 -0.570 -0.594) 0.825 3.039 ( 0.003 -2.566 0.977) 2.745 3.125 ( 0.939 2.434 -1.863) 3.206 3.209 ( -0.701 -0.295 1.210) 1.429 3.280 ( 1.351 2.881 3.665) 4.854 3.369 ( -0.315 -6.222 0.921) 6.298 3.431 ( -0.423 -1.422 1.606) 2.186 3.676 ( 1.034 2.825 -2.820) 4.123 3.725 ( -2.091 0.133 -1.878) 2.814 3.796 ( -2.247 1.250 1.543) 2.999 3.901 ( -3.334 1.468 -1.969) 4.141 4.312 ( 3.526 -2.362 -5.305) 6.794 4.341 ( 0.717 -5.122 2.828) 5.895 4.361 ( 0.003 1.859 -0.343) 1.890 4.434 ( -3.011 1.496 -2.108) 3.968 4.554 ( 1.207 -3.601 -0.895) 3.902 4.724 ( 0.835 0.431 -3.245) 3.379 4.789 ( -0.715 2.152 0.767) 2.394 4.843 ( 0.623 -1.085 0.908) 1.547 4.935 ( 2.246 -0.396 1.860) 2.943 4.991 ( -0.320 0.206 -0.449) 0.588 6.268 ( -0.800 0.741 5.151) 5.266 6.319 ( 1.400 -0.594 7.137) 7.297 6.808 ( 0.178 15.189 -13.606) 20.392 7.056 ( 0.082 1.625 -4.185) 4.490 7.387 ( -7.353 -0.727 10.734) 13.031 7.531 ( 0.105 -0.659 3.252) 3.319 8.122 ( -0.780 0.843 -3.012) 3.223 8.371 ( -0.538 -0.012 -4.482) 4.515 8.523 ( 0.605 2.679 -1.254) 3.019 8.551 ( -1.696 2.098 -2.724) 3.834 8.643 ( 5.572 2.591 -0.861) 6.205 8.723 ( -1.656 1.507 -0.239) 2.252 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 12.680 12.003 12.254) 21.331 0.852 ( 14.857 13.315 11.049) 22.806 1.359 ( 18.614 20.334 19.051) 33.509 1.795 ( -0.149 -0.157 -1.972) 1.984 1.843 ( 0.233 3.289 -4.035) 5.211 1.972 ( 1.709 2.494 -0.463) 3.058 2.080 ( -2.202 3.806 7.099) 8.351 2.248 ( 3.739 -3.507 -2.140) 5.555 2.299 ( 5.351 -4.024 1.238) 6.809 2.455 ( -3.228 -5.268 -0.718) 6.220 2.498 ( -1.078 -4.699 -1.991) 5.216 2.625 ( -1.459 -2.020 -2.625) 3.619 2.684 ( -0.151 2.748 -1.749) 3.260 2.846 ( -2.510 -2.803 -1.791) 4.168 2.884 ( 1.944 -2.062 3.267) 4.325 2.984 ( -1.077 -1.960 -3.317) 4.001 3.045 ( 0.462 -2.446 1.439) 2.875 3.141 ( -0.951 -1.779 0.358) 2.049 3.180 ( -0.084 2.649 0.243) 2.661 3.262 ( -3.759 4.855 4.126) 7.397 3.363 ( 0.472 -2.136 -1.320) 2.555 3.480 ( 3.651 -2.926 3.199) 5.667 3.687 ( 1.076 -2.597 -4.688) 5.466 3.713 ( 0.903 4.890 -0.767) 5.031 3.798 ( 1.610 1.662 0.128) 2.317 3.887 ( 0.918 0.738 -3.002) 3.225 4.315 ( -3.172 -0.387 1.766) 3.651 4.350 ( -1.374 1.633 1.605) 2.670 4.371 ( 1.364 -7.600 -2.976) 8.275 4.394 ( 0.791 2.310 -3.043) 3.901 4.578 ( 1.233 -4.180 -1.621) 4.650 4.730 ( 0.222 1.078 -2.998) 3.194 4.780 ( -0.218 1.706 1.547) 2.313 4.861 ( 0.939 -0.616 0.789) 1.372 4.972 ( 0.231 -0.308 -0.913) 0.991 4.989 ( 0.795 -1.444 0.385) 1.692 6.258 ( -1.006 0.786 6.004) 6.138 6.356 ( 1.090 -0.529 6.420) 6.533 6.735 ( -4.144 14.859 -8.138) 17.441 7.044 ( -0.461 0.662 -3.734) 3.820 7.313 ( -1.837 1.543 14.272) 14.472 7.542 ( 0.334 -1.111 3.705) 3.883 8.095 ( -1.363 0.671 -3.673) 3.975 8.326 ( -2.532 -1.656 0.220) 3.033 8.524 ( -1.456 1.023 -1.297) 2.202 8.550 ( 1.334 2.052 0.151) 2.452 8.683 ( -2.147 0.355 -0.666) 2.275 8.752 ( 4.827 -0.194 -4.211) 6.409 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 14.655 7.116 9.288) 18.753 1.167 ( 14.696 9.581 9.252) 19.833 1.749 ( 4.029 1.910 2.180) 4.963 1.782 ( 5.076 3.846 2.590) 6.874 1.874 ( 5.732 3.649 -1.397) 6.937 1.938 ( -0.922 0.148 5.077) 5.162 2.141 ( 6.076 10.617 4.020) 12.876 2.321 ( 3.437 -3.506 -2.907) 5.706 2.378 ( -2.112 -5.965 -1.003) 6.406 2.428 ( 5.680 -4.691 -2.582) 7.806 2.461 ( -2.019 -1.632 -0.872) 2.739 2.580 ( -1.511 -2.689 -0.826) 3.193 2.716 ( 2.963 2.924 -4.482) 6.118 2.799 ( -1.728 -3.286 -0.251) 3.721 2.900 ( -0.407 -1.461 3.875) 4.161 2.929 ( -4.407 -4.888 -2.321) 6.979 3.048 ( -0.742 -1.694 0.860) 2.039 3.088 ( -2.498 -0.845 1.107) 2.860 3.169 ( -1.745 2.829 4.139) 5.308 3.257 ( 2.621 6.411 -0.268) 6.931 3.355 ( -1.123 4.529 -1.092) 4.793 3.558 ( 2.742 -4.564 3.955) 6.632 3.707 ( 1.620 -3.871 -3.599) 5.528 3.740 ( 1.077 3.176 -1.137) 3.541 3.822 ( 1.241 1.855 -2.160) 3.106 3.904 ( 0.960 0.559 -2.531) 2.764 4.237 ( -4.612 0.670 1.508) 4.898 4.297 ( -3.465 0.162 2.372) 4.202 4.385 ( 0.256 -3.758 0.192) 3.772 4.436 ( 3.182 -1.114 -5.390) 6.358 4.592 ( 0.610 -4.378 -3.075) 5.385 4.720 ( -0.691 0.930 -2.498) 2.753 4.791 ( 0.979 0.504 2.346) 2.591 4.881 ( 0.929 -0.155 0.711) 1.180 4.959 ( -0.765 0.489 -1.327) 1.608 5.003 ( 0.205 -1.688 0.085) 1.702 6.249 ( -0.973 1.063 6.264) 6.427 6.377 ( 0.056 -0.349 5.287) 5.298 6.663 ( -2.185 10.167 -2.734) 10.753 7.030 ( -0.291 -0.401 -3.760) 3.792 7.318 ( -0.515 1.155 11.428) 11.498 7.553 ( 0.080 -1.443 3.944) 4.200 8.062 ( -1.221 0.230 -4.163) 4.345 8.271 ( -3.194 -3.081 0.613) 4.480 8.485 ( -2.101 0.782 -0.419) 2.281 8.572 ( 0.708 2.345 0.595) 2.521 8.640 ( -1.896 -0.092 -0.778) 2.052 8.819 ( 2.866 -1.278 -4.328) 5.346 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 11.716 4.417 6.739) 14.219 1.440 ( 11.424 7.367 7.268) 15.414 1.684 ( -7.931 1.642 1.239) 8.194 1.717 ( -3.921 2.168 1.034) 4.598 1.953 ( 2.692 0.573 -0.401) 2.781 2.065 ( 1.422 1.059 2.484) 3.052 2.234 ( 0.448 -5.488 4.077) 6.851 2.353 ( -0.897 -7.622 -3.095) 8.275 2.398 ( 1.887 -2.130 -2.939) 4.091 2.491 ( 11.078 6.513 -2.449) 13.082 2.507 ( 2.634 -2.147 -5.751) 6.680 2.614 ( 3.504 -1.285 2.390) 4.432 2.731 ( -1.692 -3.844 1.368) 4.418 2.801 ( 0.870 0.566 -1.894) 2.160 2.835 ( -1.641 -3.430 -2.741) 4.687 2.910 ( 1.195 0.190 3.152) 3.376 3.035 ( -0.134 1.559 1.218) 1.983 3.058 ( -0.730 0.815 1.124) 1.569 3.167 ( 0.515 2.607 2.717) 3.800 3.291 ( -0.511 9.044 1.087) 9.124 3.325 ( -0.992 4.704 -0.159) 4.810 3.563 ( -2.968 -3.256 2.233) 4.939 3.680 ( -4.624 0.370 -1.079) 4.763 3.774 ( 2.738 1.522 0.314) 3.148 3.850 ( 2.634 -0.558 -4.099) 4.904 3.942 ( 3.654 -0.438 -0.231) 3.687 4.160 ( -3.074 -0.089 0.646) 3.143 4.224 ( -4.392 -0.406 2.357) 5.001 4.384 ( -0.273 -2.801 0.483) 2.856 4.489 ( 2.830 -2.016 -4.925) 6.028 4.598 ( 0.632 -3.716 -3.866) 5.400 4.698 ( -1.101 -0.099 -2.117) 2.388 4.817 ( 1.120 -0.396 2.286) 2.576 4.896 ( 0.485 0.154 0.625) 0.806 4.943 ( -0.655 0.580 -1.415) 1.663 5.000 ( -0.329 -1.111 0.302) 1.197 6.239 ( -1.004 1.337 5.915) 6.147 6.375 ( -0.926 -0.078 4.066) 4.171 6.634 ( -0.673 6.698 -1.232) 6.843 7.022 ( 0.117 -1.239 -3.764) 3.965 7.317 ( -1.245 1.180 8.500) 8.671 7.556 ( -0.435 -1.643 3.722) 4.092 8.041 ( -0.087 -0.322 -4.331) 4.344 8.205 ( -3.291 -2.994 -0.525) 4.480 8.449 ( -1.422 0.887 0.416) 1.727 8.578 ( -0.103 2.240 0.309) 2.263 8.613 ( -0.693 -0.049 -0.164) 0.714 8.857 ( 1.862 -1.590 -3.881) 4.589 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -11.430 3.983 3.727) 12.665 1.523 ( 0.388 2.576 0.807) 2.727 1.618 ( 5.621 5.327 6.625) 10.191 1.680 ( -0.916 2.750 3.048) 4.207 1.997 ( 2.058 0.779 -0.206) 2.210 2.048 ( -1.030 1.257 1.119) 1.973 2.192 ( -3.658 -7.228 0.786) 8.139 2.335 ( 0.242 -7.430 -1.047) 7.507 2.434 ( 1.856 -4.452 -3.924) 6.218 2.529 ( -0.905 -0.446 -4.462) 4.575 2.598 ( -0.878 -4.210 -0.420) 4.321 2.682 ( 4.598 0.886 -1.996) 5.090 2.755 ( 4.111 -0.443 0.975) 4.249 2.816 ( 0.265 -4.024 -0.125) 4.035 2.833 ( -1.650 -1.220 -0.351) 2.082 2.936 ( -0.060 0.747 2.851) 2.947 3.000 ( -2.376 3.123 0.072) 3.925 3.125 ( 3.690 9.475 1.641) 10.300 3.164 ( -1.784 2.221 2.356) 3.697 3.243 ( -0.940 8.617 1.502) 8.797 3.332 ( 0.736 2.895 0.331) 3.006 3.458 ( -4.550 2.414 0.246) 5.157 3.637 ( 0.628 -3.033 -0.627) 3.160 3.793 ( -0.691 3.606 1.451) 3.948 3.928 ( 5.342 -2.711 -3.345) 6.861 4.024 ( 3.610 -0.793 2.737) 4.599 4.118 ( -2.026 -1.930 -0.608) 2.863 4.136 ( -3.560 -0.177 0.985) 3.698 4.384 ( 0.301 -3.314 0.437) 3.356 4.525 ( 1.489 -1.959 -4.245) 4.907 4.603 ( 0.272 -3.434 -3.590) 4.975 4.674 ( -0.796 -0.730 -2.407) 2.638 4.836 ( 0.350 -0.606 2.089) 2.203 4.900 ( -0.159 0.390 0.251) 0.490 4.930 ( -0.457 0.773 -1.341) 1.614 4.996 ( -0.158 -0.831 0.422) 0.946 6.228 ( -0.967 1.552 5.465) 5.763 6.357 ( -1.410 0.199 3.135) 3.443 6.627 ( 0.115 5.896 -1.037) 5.987 7.022 ( 0.448 -1.598 -3.511) 3.883 7.303 ( -1.191 1.551 7.006) 7.274 7.548 ( -0.856 -1.639 3.053) 3.570 8.049 ( 1.651 -0.776 -4.031) 4.425 8.151 ( -1.876 -2.159 -1.734) 3.345 8.435 ( 0.039 1.152 0.858) 1.437 8.571 ( -0.689 2.838 -0.265) 2.932 8.613 ( 0.688 -0.567 0.591) 1.069 8.882 ( 1.215 -1.807 -3.654) 4.254 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -14.003 5.923 5.789) 16.270 1.377 ( -13.771 3.729 1.815) 14.382 1.687 ( 1.750 2.349 2.277) 3.710 1.721 ( 3.104 3.506 2.008) 5.095 1.982 ( -5.913 1.168 -0.829) 6.084 2.015 ( -2.072 0.732 1.635) 2.739 2.199 ( 4.402 -3.882 -1.358) 6.025 2.318 ( -2.814 -4.951 -0.792) 5.750 2.434 ( -2.523 -3.595 -2.857) 5.239 2.490 ( -0.147 -1.563 -0.406) 1.622 2.594 ( -9.339 3.709 1.877) 10.223 2.660 ( -2.482 0.254 4.434) 5.088 2.719 ( -2.933 -3.088 -3.157) 5.301 2.786 ( -0.177 -2.619 -3.579) 4.438 2.850 ( 4.300 -2.262 -2.597) 5.509 2.969 ( -0.413 3.397 -0.024) 3.423 2.975 ( 2.243 0.336 6.312) 6.707 3.078 ( -1.949 0.537 1.555) 2.550 3.193 ( -0.367 5.889 3.677) 6.952 3.264 ( 1.371 5.378 -0.872) 5.618 3.359 ( 1.764 4.229 0.780) 4.648 3.451 ( 1.778 0.447 -2.343) 2.975 3.672 ( 2.412 -1.869 -1.090) 3.240 3.774 ( -0.919 2.236 0.619) 2.495 4.003 ( -3.020 -2.270 1.666) 4.129 4.039 ( 2.001 -1.713 -0.145) 2.637 4.087 ( 2.930 0.511 -1.473) 3.319 4.163 ( 3.468 -2.473 1.216) 4.429 4.393 ( 0.282 -4.869 -0.705) 4.928 4.532 ( -0.142 -1.207 -3.040) 3.274 4.589 ( -1.160 -4.125 -2.649) 5.038 4.668 ( 0.714 -0.461 -3.373) 3.479 4.837 ( -0.571 -0.220 2.050) 2.139 4.893 ( -0.486 0.575 -0.441) 0.872 4.918 ( -0.569 1.075 -1.278) 1.765 4.996 ( 0.104 -0.651 0.243) 0.703 6.221 ( -0.506 1.595 5.446) 5.697 6.334 ( -1.392 0.431 2.945) 3.286 6.637 ( 1.239 7.778 -1.344) 7.990 7.028 ( 0.699 -1.184 -3.212) 3.493 7.303 ( 0.296 1.685 8.088) 8.267 7.535 ( -0.846 -1.416 2.508) 3.002 8.090 ( 2.601 -0.893 -2.645) 3.816 8.134 ( 0.812 -1.266 -2.879) 3.248 8.452 ( 1.451 1.478 0.733) 2.196 8.553 ( -0.816 3.336 -0.970) 3.568 8.639 ( 1.648 -0.889 1.149) 2.197 8.891 ( 0.268 -1.954 -4.296) 4.727 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -14.472 8.741 9.029) 19.167 1.063 ( -17.501 7.819 4.783) 19.756 1.667 ( -9.980 4.334 2.064) 11.075 1.764 ( -1.837 2.488 0.912) 3.224 1.812 ( -3.710 5.900 1.139) 7.063 1.957 ( -3.086 3.165 -1.308) 4.609 2.186 ( -7.450 5.466 7.426) 11.854 2.293 ( 0.207 -3.426 -2.664) 4.345 2.327 ( -2.526 -3.105 -2.333) 4.633 2.408 ( -5.004 -0.773 -1.219) 5.208 2.532 ( 2.774 -4.231 1.689) 5.334 2.640 ( -3.370 -5.077 -1.579) 6.295 2.707 ( 2.609 -1.883 -0.391) 3.241 2.809 ( 0.353 2.031 -1.900) 2.803 2.896 ( 1.514 0.110 -1.786) 2.344 2.967 ( 2.599 -1.294 -2.296) 3.701 3.031 ( 0.195 -2.259 0.791) 2.402 3.081 ( 2.110 1.974 6.336) 6.964 3.190 ( -0.184 3.101 3.468) 4.656 3.268 ( -0.862 2.523 0.071) 2.668 3.380 ( -0.181 1.369 -0.553) 1.488 3.460 ( -0.090 -0.072 -0.947) 0.954 3.705 ( 0.491 0.559 -1.395) 1.581 3.771 ( 0.918 0.732 -1.099) 1.608 3.900 ( -5.464 -2.461 -0.330) 6.002 4.106 ( 2.065 -3.273 1.965) 4.340 4.163 ( 4.683 -1.148 -4.801) 6.804 4.235 ( 3.226 -2.666 2.494) 4.872 4.381 ( -1.229 -5.089 -1.765) 5.525 4.517 ( -0.732 -0.560 -2.258) 2.439 4.559 ( -1.273 -4.296 -2.000) 4.906 4.686 ( 1.501 -0.124 -3.737) 4.029 4.822 ( -1.086 0.534 1.672) 2.064 4.877 ( -1.147 0.076 -1.975) 2.285 4.904 ( -0.650 1.837 0.147) 1.954 4.998 ( -0.010 -0.337 -0.025) 0.338 6.230 ( 0.518 1.331 5.934) 6.103 6.313 ( -1.209 0.382 3.652) 3.866 6.679 ( 3.535 11.612 -2.984) 12.499 7.039 ( 0.928 -0.050 -3.227) 3.359 7.350 ( 3.089 0.571 11.357) 11.783 7.526 ( -0.425 -1.005 2.571) 2.793 8.120 ( 1.060 -0.022 -1.774) 2.066 8.188 ( 4.712 -0.870 -2.526) 5.417 8.488 ( 1.861 1.458 -0.056) 2.365 8.543 ( 0.142 3.981 -1.200) 4.161 8.672 ( 1.189 -1.257 0.737) 1.880 8.868 ( -2.148 -1.352 -7.058) 7.500 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -12.313 12.255 11.739) 20.967 0.758 ( -12.935 14.247 11.026) 22.178 1.296 ( -19.982 22.750 14.661) 33.642 1.768 ( 2.038 2.577 -0.787) 3.379 1.835 ( 1.573 0.928 -0.091) 1.829 1.918 ( -0.569 4.949 -4.492) 6.708 2.099 ( -2.540 3.181 11.496) 12.196 2.231 ( -3.310 -3.274 0.376) 4.671 2.261 ( -3.769 -4.822 -2.536) 6.625 2.425 ( 3.889 -2.705 -3.126) 5.676 2.546 ( -1.532 -2.645 -5.817) 6.571 2.628 ( 1.719 -6.484 5.080) 8.415 2.737 ( -0.094 1.053 -1.902) 2.176 2.785 ( -0.357 2.711 1.023) 2.920 2.931 ( 1.202 1.242 -4.540) 4.858 3.012 ( -1.251 -2.591 -0.499) 2.920 3.022 ( 1.971 -2.585 -0.895) 3.372 3.130 ( -0.288 2.665 5.057) 5.723 3.183 ( 0.765 -1.888 0.538) 2.107 3.258 ( 0.298 2.369 1.687) 2.924 3.365 ( -0.385 -2.076 -0.255) 2.127 3.459 ( -0.708 -0.599 1.116) 1.451 3.683 ( -1.544 3.076 -1.533) 3.768 3.791 ( -2.105 -1.906 -0.856) 2.966 3.809 ( -0.835 -1.549 -2.854) 3.353 4.053 ( -8.196 -5.671 -0.660) 9.988 4.244 ( 4.300 -2.303 -5.534) 7.377 4.298 ( 2.886 -1.663 1.422) 3.622 4.362 ( -0.206 -1.848 0.279) 1.880 4.490 ( -1.901 0.519 -3.078) 3.654 4.543 ( 0.005 -3.804 -1.260) 4.007 4.709 ( 1.246 -0.022 -3.576) 3.787 4.803 ( -0.967 1.630 0.911) 2.103 4.846 ( -1.195 -0.412 -0.649) 1.421 4.903 ( 0.571 1.867 2.026) 2.813 4.996 ( -0.122 0.054 -0.234) 0.269 6.258 ( 1.076 0.975 5.905) 6.081 6.300 ( -0.717 -0.198 5.326) 5.378 6.762 ( 5.130 14.226 -8.203) 17.204 7.052 ( 0.823 1.191 -3.687) 3.961 7.436 ( 2.023 -3.333 10.233) 10.951 7.528 ( 0.050 -0.551 3.232) 3.279 8.132 ( 0.337 0.615 -2.290) 2.395 8.296 ( 6.454 0.142 -2.213) 6.824 8.515 ( 0.968 1.313 -1.076) 1.954 8.563 ( 2.207 5.255 -1.402) 5.869 8.660 ( -3.832 -1.998 -3.957) 5.859 8.776 ( -4.648 2.673 -6.155) 8.163 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 1.596 20.027 5.597) 20.855 1.011 ( 1.066 20.262 9.236) 22.293 1.633 ( 1.219 21.460 7.918) 22.906 1.772 ( -0.117 -2.761 -1.265) 3.040 1.918 ( -0.829 -1.932 -0.593) 2.184 2.010 ( 0.166 4.838 -0.429) 4.860 2.055 ( 2.679 -1.530 -1.338) 3.362 2.129 ( 1.449 0.143 -2.229) 2.663 2.288 ( 0.566 8.820 7.530) 11.611 2.411 ( -2.376 -5.722 -2.677) 6.749 2.434 ( -0.298 -1.032 2.097) 2.356 2.542 ( 1.272 -6.215 3.214) 7.112 2.739 ( -1.228 0.220 -1.304) 1.805 2.824 ( 1.230 -0.687 -0.283) 1.437 2.851 ( -3.985 -4.087 -1.726) 5.964 2.971 ( 0.435 -0.805 -2.287) 2.464 2.993 ( 0.405 -1.549 -0.120) 1.606 3.119 ( -1.459 -1.748 -2.311) 3.244 3.191 ( 0.423 -1.720 0.545) 1.853 3.318 ( 0.895 2.750 -0.583) 2.950 3.366 ( -0.031 0.933 0.350) 0.997 3.423 ( 0.001 2.780 5.110) 5.817 3.603 ( -2.194 -7.131 -2.856) 7.989 3.783 ( 1.484 2.806 -1.181) 3.387 3.834 ( 0.939 2.158 0.033) 2.354 3.942 ( -3.060 2.923 -0.231) 4.238 4.106 ( 0.994 -15.461 0.467) 15.500 4.241 ( 0.839 -5.656 1.144) 5.832 4.412 ( -0.019 3.187 -0.229) 3.195 4.509 ( -0.096 4.778 -2.070) 5.208 4.521 ( 0.253 -1.021 -0.557) 1.190 4.718 ( 1.647 -1.264 -2.527) 3.270 4.800 ( -0.903 -0.225 1.386) 1.669 4.835 ( 0.135 -0.025 0.109) 0.176 4.950 ( 0.670 1.437 1.687) 2.315 4.995 ( -0.290 0.117 0.324) 0.450 6.290 ( -0.743 1.420 4.765) 5.027 6.323 ( 1.125 0.502 6.275) 6.395 6.977 ( 1.009 5.025 -8.532) 9.953 7.091 ( -0.043 1.492 -6.023) 6.205 7.380 ( -2.644 0.393 9.635) 9.999 7.511 ( -0.294 -1.665 3.836) 4.192 8.145 ( -0.651 1.686 -2.961) 3.470 8.323 ( -0.075 -3.883 -3.653) 5.332 8.553 ( 0.856 1.101 -0.697) 1.559 8.580 ( -1.115 0.587 -0.576) 1.385 8.707 ( 2.078 3.286 -5.330) 6.598 8.754 ( -2.552 1.466 -2.147) 3.643 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 8.241 16.880 7.361) 20.175 1.146 ( 10.350 17.381 7.513) 21.579 1.736 ( 5.502 11.148 5.844) 13.737 1.787 ( 3.324 4.428 1.057) 5.637 1.896 ( -0.189 0.520 -2.394) 2.457 1.997 ( -1.962 0.925 0.278) 2.187 2.131 ( 5.186 -6.987 -1.249) 8.790 2.221 ( 6.941 4.971 -2.162) 8.807 2.314 ( -0.004 6.661 5.587) 8.694 2.342 ( -3.815 -1.336 3.404) 5.285 2.428 ( 0.598 -3.696 -0.249) 3.752 2.540 ( -2.619 -5.160 -0.097) 5.788 2.729 ( 1.457 0.935 -3.316) 3.741 2.781 ( -2.651 -3.793 0.357) 4.642 2.863 ( 1.749 -0.532 -2.051) 2.747 2.954 ( -2.416 -1.973 -2.604) 4.064 3.005 ( 0.808 -1.155 0.527) 1.505 3.075 ( -1.851 -3.477 -0.178) 3.943 3.184 ( -0.633 -2.233 -0.134) 2.325 3.340 ( 1.071 4.001 -1.178) 4.306 3.384 ( 2.165 1.535 0.424) 2.688 3.460 ( 2.198 2.007 5.934) 6.638 3.582 ( 0.768 -6.750 -4.750) 8.290 3.823 ( 2.188 4.440 -0.759) 5.007 3.842 ( -0.394 3.387 2.163) 4.038 3.908 ( -0.056 1.669 -2.891) 3.338 4.134 ( 1.715 -15.106 0.843) 15.227 4.248 ( -0.509 -6.323 1.944) 6.635 4.392 ( -2.122 3.048 0.080) 3.715 4.483 ( -1.332 3.472 -2.054) 4.248 4.537 ( 0.888 0.454 -0.948) 1.376 4.737 ( 0.465 -0.607 -2.314) 2.437 4.789 ( -0.377 -0.173 1.630) 1.682 4.845 ( 0.878 -0.905 0.291) 1.294 4.967 ( 0.738 0.424 1.230) 1.496 4.986 ( -0.630 0.254 0.202) 0.709 6.283 ( -0.736 1.745 5.397) 5.720 6.354 ( 0.896 -0.079 5.970) 6.037 6.938 ( -3.506 6.851 -9.159) 11.964 7.059 ( -1.846 0.723 -4.242) 4.683 7.352 ( -1.407 2.523 10.699) 11.082 7.513 ( -0.167 -2.058 4.063) 4.558 8.115 ( -1.810 1.444 -3.555) 4.243 8.274 ( -3.437 -3.592 -1.834) 5.299 8.547 ( -1.512 1.352 -1.199) 2.356 8.587 ( 1.355 1.314 -0.503) 1.953 8.696 ( -2.596 1.132 -2.036) 3.488 8.748 ( 2.427 -0.209 -3.852) 4.557 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 10.873 12.700 7.479) 18.315 1.385 ( 11.864 13.400 6.159) 18.928 1.764 ( -0.529 -0.422 -0.256) 0.723 1.868 ( -1.618 4.765 -2.008) 5.418 1.929 ( 0.117 0.593 3.826) 3.874 1.995 ( 7.131 5.934 1.326) 9.371 2.204 ( -1.591 -7.841 -0.491) 8.016 2.261 ( -0.649 -4.480 2.019) 4.957 2.331 ( 4.061 -2.954 -0.766) 5.080 2.351 ( 0.725 2.145 -0.089) 2.266 2.472 ( 0.187 -6.759 -1.003) 6.836 2.497 ( 4.780 9.159 0.596) 10.349 2.726 ( -2.863 -4.405 0.078) 5.254 2.786 ( 3.871 2.847 -2.808) 5.565 2.858 ( -3.218 -0.077 -3.157) 4.509 2.891 ( -0.978 -1.945 -1.857) 2.861 3.023 ( 0.445 -0.874 0.616) 1.158 3.059 ( 0.552 -0.836 1.051) 1.452 3.187 ( 1.183 -1.246 1.113) 2.047 3.368 ( 1.729 4.839 -1.002) 5.235 3.435 ( 2.580 2.247 -0.284) 3.433 3.506 ( 1.527 0.571 3.783) 4.119 3.626 ( 4.400 -4.009 -2.615) 6.502 3.811 ( -2.466 4.415 1.264) 5.213 3.869 ( 1.613 3.019 -0.305) 3.436 3.913 ( 0.517 0.476 -2.397) 2.498 4.169 ( 1.206 -11.375 1.073) 11.489 4.223 ( -2.572 -5.161 2.430) 6.258 4.337 ( -2.735 0.698 0.832) 2.943 4.454 ( -1.508 0.144 -1.806) 2.357 4.553 ( 1.077 1.521 -2.184) 2.871 4.725 ( -1.265 -0.496 -1.449) 1.986 4.793 ( 0.477 -0.019 1.683) 1.749 4.868 ( 1.253 -1.368 -0.090) 1.858 4.970 ( -0.687 0.564 -0.400) 0.975 4.981 ( 0.124 -0.492 0.907) 1.039 6.278 ( -0.656 2.042 5.631) 6.026 6.373 ( 0.047 -0.378 5.208) 5.221 6.841 ( -4.321 7.884 -5.629) 10.607 7.019 ( -1.555 -0.793 -3.195) 3.641 7.351 ( -0.588 2.360 8.795) 9.125 7.516 ( -0.278 -2.508 4.215) 4.912 8.070 ( -1.905 0.717 -3.825) 4.333 8.203 ( -3.441 -3.923 -0.762) 5.273 8.508 ( -2.061 1.610 -0.923) 2.773 8.599 ( -0.451 -0.217 -0.683) 0.847 8.656 ( -0.757 2.276 -1.091) 2.635 8.788 ( 2.128 -1.876 -3.432) 4.453 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 9.085 8.804 5.897) 13.957 1.607 ( 9.203 10.311 5.349) 14.820 1.735 ( -3.219 3.203 0.507) 4.569 1.764 ( -5.582 3.248 0.035) 6.458 1.963 ( 2.335 0.557 0.251) 2.414 2.111 ( 1.545 3.214 1.754) 3.974 2.122 ( -3.449 -5.855 1.801) 7.030 2.218 ( -3.970 -6.818 0.036) 7.890 2.353 ( -0.293 -3.409 -0.794) 3.512 2.409 ( 3.673 -5.875 -2.855) 7.494 2.512 ( 4.459 -7.104 1.293) 8.486 2.637 ( 6.398 6.200 -4.837) 10.138 2.661 ( -3.654 -4.537 0.496) 5.847 2.765 ( -2.398 -2.058 -3.067) 4.404 2.866 ( 0.130 2.259 -1.506) 2.718 2.909 ( 4.512 2.904 -0.583) 5.397 3.018 ( -0.253 -2.086 -0.432) 2.145 3.125 ( 5.499 4.661 1.622) 7.389 3.225 ( 1.979 2.800 0.555) 3.473 3.387 ( 0.348 3.657 -0.905) 3.783 3.483 ( 2.219 2.366 0.550) 3.290 3.530 ( 0.498 5.828 1.853) 6.136 3.713 ( -2.880 2.528 2.996) 4.864 3.750 ( 2.690 -1.840 -1.852) 3.749 3.876 ( -0.752 2.317 -0.039) 2.436 3.928 ( 1.677 -0.808 -1.246) 2.240 4.152 ( -3.739 -1.558 1.475) 4.311 4.165 ( -2.559 -6.157 1.960) 6.950 4.318 ( 0.302 -3.758 1.719) 4.143 4.423 ( -0.832 -4.979 -2.188) 5.501 4.572 ( 1.085 1.794 -2.741) 3.451 4.691 ( -1.785 -0.605 -1.024) 2.145 4.809 ( 0.807 -0.245 1.466) 1.692 4.889 ( 0.802 -1.248 -0.241) 1.502 4.955 ( -0.601 0.690 -0.558) 1.072 4.981 ( -0.187 -0.749 0.477) 0.908 6.274 ( -0.709 2.303 5.466) 5.973 6.373 ( -0.766 -0.368 4.276) 4.360 6.769 ( -2.150 6.957 -3.056) 7.897 6.991 ( -0.769 -2.079 -2.717) 3.507 7.349 ( -0.878 2.273 6.651) 7.084 7.514 ( -0.576 -2.762 3.996) 4.891 8.037 ( -0.726 -0.017 -3.754) 3.824 8.141 ( -2.600 -3.616 -0.927) 4.549 8.473 ( -1.189 1.723 -0.081) 2.095 8.581 ( -0.553 -1.315 -0.615) 1.554 8.653 ( -0.019 3.423 -0.624) 3.479 8.819 ( 1.498 -2.435 -3.169) 4.268 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -8.328 5.295 0.880) 9.907 1.604 ( -2.068 6.178 0.436) 6.530 1.727 ( 2.529 5.358 5.425) 8.033 1.772 ( 1.754 7.637 2.834) 8.333 2.000 ( 2.224 -0.348 0.488) 2.304 2.045 ( -2.513 -2.771 0.645) 3.796 2.134 ( -0.446 2.397 2.617) 3.576 2.175 ( 0.229 -8.592 -0.927) 8.645 2.336 ( -0.879 -6.349 -1.376) 6.556 2.467 ( 1.680 -5.478 -2.771) 6.365 2.521 ( -3.295 -4.096 -0.208) 5.261 2.634 ( 0.927 -9.925 1.146) 10.033 2.725 ( 2.842 1.658 -4.031) 5.203 2.763 ( 2.948 0.313 -3.503) 4.589 2.854 ( -0.142 0.978 0.748) 1.239 2.972 ( 0.499 2.414 1.154) 2.722 3.043 ( 2.620 2.298 -0.778) 3.570 3.207 ( -0.228 3.162 -1.604) 3.553 3.268 ( 3.263 6.202 0.642) 7.038 3.376 ( -2.329 2.893 -1.046) 3.858 3.484 ( -3.995 6.833 3.876) 8.814 3.519 ( -2.534 8.574 0.408) 8.950 3.624 ( 1.585 2.678 0.452) 3.144 3.844 ( -2.162 1.200 0.081) 2.474 3.867 ( 5.775 -2.596 1.489) 6.504 3.981 ( 3.492 -3.950 -0.898) 5.348 4.063 ( -5.111 -4.026 1.800) 6.751 4.129 ( -0.998 -0.508 0.456) 1.209 4.319 ( -0.671 -3.382 1.593) 3.798 4.430 ( 1.577 -7.861 -1.391) 8.138 4.579 ( -0.047 1.146 -2.705) 2.938 4.660 ( -1.069 -0.790 -1.493) 1.999 4.826 ( 0.526 -0.283 1.362) 1.487 4.896 ( 0.001 -1.006 -0.594) 1.168 4.947 ( -0.209 0.883 -0.220) 0.934 4.979 ( -0.029 -0.819 0.180) 0.839 6.267 ( -0.800 2.484 5.174) 5.795 6.359 ( -1.152 -0.117 3.539) 3.723 6.749 ( 0.546 6.466 -2.211) 6.855 6.983 ( 0.409 -2.544 -2.273) 3.435 7.341 ( -0.761 2.512 5.532) 6.123 7.507 ( -0.740 -2.731 3.457) 4.467 8.035 ( 1.224 -0.536 -3.344) 3.601 8.104 ( -0.841 -2.630 -1.367) 3.081 8.466 ( 0.440 2.058 0.606) 2.190 8.585 ( 0.949 -1.384 0.172) 1.686 8.645 ( -0.596 3.798 -1.087) 3.995 8.837 ( 0.882 -2.836 -3.083) 4.280 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -10.714 9.330 2.744) 14.470 1.488 ( -9.521 7.984 0.087) 12.426 1.752 ( -0.260 4.600 1.811) 4.950 1.790 ( 0.544 2.995 1.732) 3.502 1.987 ( -2.312 0.810 -0.903) 2.610 2.079 ( 1.640 2.864 1.307) 3.550 2.135 ( 1.540 -1.315 1.859) 2.749 2.186 ( 0.134 -7.929 -1.389) 8.051 2.314 ( -1.824 -8.734 -0.592) 8.942 2.416 ( -2.511 -4.463 -1.744) 5.410 2.543 ( 2.473 -4.649 2.295) 5.744 2.610 ( -2.687 -6.705 -3.017) 7.828 2.764 ( 0.642 3.021 -0.309) 3.103 2.806 ( 0.931 1.594 -3.882) 4.298 2.875 ( 0.589 3.278 3.105) 4.553 2.973 ( 0.956 1.903 0.325) 2.154 3.051 ( -2.547 4.239 1.695) 5.227 3.107 ( -6.163 5.206 1.321) 8.175 3.296 ( -3.124 1.243 -0.968) 3.499 3.321 ( 1.468 4.694 -2.076) 5.339 3.433 ( -1.537 3.847 1.077) 4.280 3.490 ( -1.211 2.065 2.285) 3.309 3.691 ( 2.928 3.806 -1.536) 5.042 3.813 ( -0.611 2.213 -0.185) 2.303 3.915 ( -4.445 -7.522 2.584) 9.111 3.993 ( 2.533 -3.311 0.620) 4.215 4.069 ( 3.562 -2.034 -0.281) 4.111 4.129 ( 1.020 -1.200 -0.497) 1.651 4.310 ( -0.007 -3.378 1.079) 3.546 4.460 ( 1.274 -5.195 0.273) 5.356 4.564 ( -0.928 0.760 -2.591) 2.855 4.650 ( 0.416 -1.387 -2.633) 3.005 4.832 ( -0.117 -0.077 1.556) 1.562 4.888 ( -0.590 -0.957 -1.299) 1.718 4.943 ( -0.231 1.274 0.377) 1.349 4.982 ( 0.383 -0.713 0.081) 0.813 6.261 ( -0.586 2.475 5.091) 5.691 6.341 ( -1.181 0.210 3.288) 3.500 6.782 ( 3.167 6.969 -2.780) 8.144 7.000 ( 1.624 -1.866 -2.110) 3.252 7.342 ( 0.082 2.473 6.070) 6.555 7.499 ( -0.514 -2.420 3.102) 3.968 8.072 ( 2.804 -0.744 -2.411) 3.772 8.107 ( 1.514 -1.510 -1.875) 2.844 8.489 ( 1.667 2.403 0.739) 3.017 8.615 ( 1.856 -1.186 0.472) 2.253 8.630 ( -0.627 4.009 -1.518) 4.333 8.843 ( 0.241 -3.057 -3.287) 4.495 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -10.244 13.510 4.064) 17.435 1.275 ( -11.571 14.025 2.919) 18.415 1.739 ( -1.777 2.046 -0.402) 2.740 1.791 ( -0.255 1.244 -0.352) 1.318 1.939 ( -2.652 5.493 -0.742) 6.145 2.047 ( -2.833 5.955 2.189) 6.949 2.153 ( -3.033 -6.049 -0.968) 6.836 2.196 ( 0.611 -6.403 -2.672) 6.965 2.266 ( -0.156 -5.460 0.474) 5.483 2.403 ( -0.349 -5.209 0.689) 5.266 2.529 ( -4.719 2.674 1.057) 5.526 2.556 ( -3.196 -0.233 2.999) 4.389 2.709 ( -0.845 4.631 3.224) 5.706 2.846 ( 3.178 0.886 -4.648) 5.700 2.877 ( -0.173 2.097 -1.613) 2.651 2.989 ( -1.262 -0.832 0.191) 1.523 3.014 ( -0.366 1.568 -0.453) 1.672 3.079 ( 2.263 -0.539 2.791) 3.633 3.228 ( -4.170 -1.639 0.543) 4.513 3.330 ( -0.121 5.854 -0.504) 5.877 3.400 ( -1.793 2.760 0.703) 3.366 3.470 ( -1.371 -0.029 2.336) 2.708 3.727 ( 0.827 0.939 -4.521) 4.691 3.785 ( -2.901 -3.149 1.714) 4.612 3.832 ( -2.228 -1.660 -0.688) 2.863 4.040 ( 0.853 -4.562 3.061) 5.559 4.099 ( -0.410 -5.091 -2.314) 5.607 4.170 ( 2.634 -4.035 0.337) 4.830 4.338 ( 2.709 1.156 0.602) 3.006 4.478 ( 0.561 -1.900 0.531) 2.051 4.542 ( -0.712 0.885 -2.164) 2.444 4.666 ( 1.536 -1.991 -3.303) 4.151 4.827 ( -0.543 0.135 1.616) 1.710 4.868 ( -1.245 -0.865 -1.616) 2.216 4.939 ( -0.249 1.735 0.870) 1.957 4.991 ( 0.382 -0.387 0.234) 0.592 6.264 ( 0.126 2.146 5.345) 5.761 6.324 ( -1.132 0.507 3.590) 3.798 6.857 ( 4.730 7.122 -4.790) 9.800 7.037 ( 2.408 -0.418 -2.665) 3.616 7.365 ( 1.053 1.254 7.735) 7.906 7.499 ( 0.013 -1.963 3.339) 3.874 8.119 ( 2.035 0.009 -1.650) 2.620 8.167 ( 4.830 -1.325 -2.179) 5.462 8.523 ( 1.392 2.171 -0.002) 2.579 8.621 ( -0.021 2.562 -0.321) 2.582 8.651 ( 1.661 0.547 -1.525) 2.321 8.835 ( -0.611 -2.218 -3.928) 4.552 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -6.540 18.084 4.907) 19.847 1.077 ( -8.369 18.807 6.544) 21.600 1.669 ( -4.620 12.064 2.986) 13.259 1.783 ( -0.568 -0.585 -0.942) 1.246 1.907 ( 0.252 4.985 1.931) 5.352 2.021 ( 0.177 4.741 -3.061) 5.646 2.062 ( -4.559 -4.819 0.824) 6.684 2.157 ( -2.443 -3.420 -2.606) 4.945 2.292 ( -1.252 5.127 3.151) 6.147 2.382 ( 2.128 -1.678 -0.436) 2.745 2.480 ( -3.036 -1.081 1.166) 3.427 2.515 ( 0.404 -4.019 5.673) 6.964 2.739 ( 1.738 -0.995 -1.024) 2.249 2.834 ( -2.347 2.779 0.588) 3.684 2.902 ( 1.056 -3.862 -3.845) 5.551 2.972 ( -0.337 -0.592 -1.480) 1.629 2.998 ( -1.273 -0.772 -0.571) 1.594 3.127 ( 0.934 -2.555 -1.293) 3.012 3.171 ( -0.152 0.245 2.887) 2.901 3.321 ( -0.678 4.513 -0.105) 4.564 3.375 ( -0.850 2.276 0.229) 2.440 3.441 ( -1.948 -0.114 3.376) 3.899 3.670 ( -3.972 -6.171 -2.261) 7.679 3.773 ( 0.106 0.529 -0.552) 0.772 3.815 ( 0.648 1.565 -1.917) 2.558 4.013 ( -3.659 0.404 2.164) 4.270 4.092 ( 0.446 -13.409 -1.016) 13.455 4.214 ( 1.759 -4.551 0.740) 4.935 4.393 ( 2.091 3.474 -0.076) 4.055 4.492 ( 0.975 0.373 -0.173) 1.058 4.531 ( -0.262 1.197 -1.873) 2.238 4.691 ( 1.488 -1.815 -3.047) 3.847 4.817 ( -0.847 0.051 1.492) 1.716 4.842 ( -0.889 -0.142 -0.935) 1.298 4.939 ( 0.135 1.919 1.439) 2.402 4.996 ( 0.103 -0.080 0.354) 0.377 6.283 ( 0.741 1.528 5.468) 5.726 6.310 ( -0.843 0.793 4.570) 4.715 6.937 ( 3.981 5.889 -6.951) 9.942 7.077 ( 2.017 1.003 -4.410) 4.953 7.394 ( 0.017 -0.800 8.402) 8.440 7.508 ( 0.156 -1.723 3.845) 4.217 8.146 ( 0.966 1.081 -2.191) 2.627 8.269 ( 5.220 -2.501 -2.573) 6.334 8.541 ( 0.675 1.473 -0.803) 1.809 8.612 ( -1.412 -0.764 0.493) 1.679 8.677 ( 1.783 4.061 -4.650) 6.426 8.804 ( -1.871 0.328 -3.976) 4.406 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 1.021 17.474 2.325) 17.658 1.377 ( 0.718 18.613 5.253) 19.354 1.600 ( 0.902 -12.112 0.571) 12.159 1.697 ( 0.913 -14.734 3.286) 15.123 1.969 ( 1.540 9.174 -0.766) 9.334 2.057 ( -0.222 -0.473 -2.538) 2.591 2.110 ( -1.579 5.123 -4.748) 7.161 2.216 ( 4.639 7.741 1.187) 9.102 2.257 ( -0.830 -8.773 -3.335) 9.422 2.367 ( 3.743 -7.606 1.634) 8.634 2.427 ( -2.307 6.178 4.049) 7.738 2.564 ( -0.738 -3.805 5.762) 6.945 2.740 ( -2.333 6.121 0.504) 6.569 2.798 ( -1.946 -1.305 -1.963) 3.057 2.871 ( -2.460 9.605 0.555) 9.930 2.967 ( -0.377 -0.340 -2.165) 2.224 2.981 ( 1.586 0.926 -0.630) 1.942 3.107 ( -3.374 -0.974 -1.686) 3.896 3.156 ( 0.091 -1.706 0.052) 1.709 3.238 ( -0.516 -12.070 -0.172) 12.083 3.398 ( 0.180 3.301 -0.933) 3.435 3.466 ( 0.083 -4.537 -1.436) 4.760 3.560 ( 0.439 9.138 3.618) 9.838 3.760 ( 2.444 -9.674 -1.275) 10.059 3.856 ( 1.191 0.625 -1.098) 1.736 3.880 ( 0.419 -3.323 1.184) 3.553 4.021 ( -2.053 5.147 2.879) 6.245 4.129 ( -0.587 -6.202 2.845) 6.849 4.465 ( -0.101 2.417 -0.530) 2.476 4.500 ( -0.036 -1.389 -0.536) 1.489 4.597 ( 0.934 4.499 -1.510) 4.837 4.672 ( 1.538 -3.477 -1.569) 4.113 4.807 ( -0.616 0.962 0.618) 1.299 4.827 ( -0.213 -0.900 0.185) 0.943 4.976 ( 0.150 1.239 1.317) 1.815 4.992 ( -0.138 -0.481 0.978) 1.098 6.315 ( -0.270 1.106 4.866) 4.998 6.327 ( 0.450 -0.178 5.464) 5.485 7.047 ( 0.611 3.037 -5.825) 6.598 7.091 ( 0.139 -1.460 -5.790) 5.972 7.411 ( -0.802 2.736 6.888) 7.455 7.467 ( -0.413 -2.978 4.853) 5.709 8.187 ( -0.459 2.774 -3.107) 4.190 8.248 ( -0.238 -3.832 -3.329) 5.082 8.571 ( 0.496 0.782 -0.287) 0.969 8.581 ( 0.075 -0.311 0.063) 0.327 8.753 ( -0.188 1.651 -4.500) 4.797 8.769 ( -1.804 -0.019 -3.577) 4.006 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 5.393 15.555 3.869) 16.912 1.470 ( 7.293 16.602 5.125) 18.844 1.640 ( 2.919 -10.098 1.203) 10.580 1.766 ( 4.973 -13.220 3.221) 14.488 2.003 ( 1.656 5.633 -0.611) 5.903 2.027 ( -2.264 2.388 -1.375) 3.567 2.100 ( 1.545 4.538 -3.629) 6.012 2.228 ( -2.593 -5.916 1.143) 6.560 2.282 ( 1.373 1.543 -0.872) 2.242 2.357 ( -3.048 -5.708 0.916) 6.536 2.431 ( 1.408 6.418 2.715) 7.109 2.600 ( 2.654 -7.379 3.464) 8.573 2.698 ( -1.453 9.451 -1.265) 9.645 2.780 ( 0.421 -0.081 -2.118) 2.161 2.859 ( 0.874 3.667 -2.535) 4.543 2.932 ( -2.525 -0.889 -4.091) 4.890 3.016 ( 1.922 2.281 1.276) 3.244 3.045 ( -2.098 -0.155 -0.087) 2.106 3.142 ( -0.510 -0.890 -0.695) 1.238 3.267 ( 3.044 -11.814 -0.556) 12.212 3.415 ( 1.735 3.748 -1.194) 4.299 3.479 ( 1.426 -3.571 -1.677) 4.195 3.599 ( 2.913 10.375 4.198) 11.565 3.823 ( 4.005 -11.239 0.391) 11.937 3.882 ( 1.330 0.219 -0.324) 1.386 3.897 ( 0.733 -1.656 0.989) 2.063 3.984 ( -1.841 6.340 1.639) 6.802 4.117 ( -0.999 -7.448 2.700) 7.985 4.445 ( -2.185 2.459 -0.275) 3.301 4.481 ( -1.877 -1.538 -0.493) 2.477 4.610 ( 0.751 4.922 -1.053) 5.089 4.693 ( 0.712 -3.809 -0.962) 3.993 4.800 ( -0.161 1.258 0.541) 1.379 4.825 ( 0.121 -1.269 0.239) 1.297 4.980 ( -0.004 0.682 1.164) 1.349 4.988 ( -0.452 -0.142 0.797) 0.927 6.318 ( -0.267 1.822 5.208) 5.524 6.345 ( 0.366 -1.014 5.516) 5.620 7.021 ( -2.278 2.918 -6.223) 7.241 7.058 ( -2.379 -1.010 -5.027) 5.653 7.405 ( -0.754 3.220 7.160) 7.887 7.465 ( -0.530 -3.034 5.033) 5.901 8.150 ( -2.448 2.427 -3.414) 4.851 8.206 ( -3.106 -3.468 -2.977) 5.526 8.572 ( -0.705 1.278 -0.651) 1.598 8.591 ( 0.391 -0.635 -0.296) 0.802 8.722 ( -1.751 1.390 -3.461) 4.120 8.741 ( 0.061 -0.647 -3.781) 3.837 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 7.268 12.088 5.033) 14.975 1.645 ( 8.837 12.994 4.649) 16.387 1.707 ( 3.406 -5.343 1.176) 6.445 1.874 ( 5.007 -7.455 1.716) 9.143 1.962 ( -4.187 3.880 -1.499) 5.903 2.024 ( 0.470 -3.611 -1.096) 3.803 2.143 ( -0.049 1.924 1.635) 2.525 2.174 ( -0.022 -1.469 0.860) 1.702 2.255 ( -4.229 -2.851 2.183) 5.548 2.319 ( 0.289 -6.050 -3.082) 6.796 2.462 ( 0.269 6.964 1.869) 7.216 2.612 ( -1.895 -7.646 1.426) 8.006 2.692 ( 1.158 7.088 -4.072) 8.256 2.777 ( -1.532 -3.237 -3.833) 5.246 2.885 ( 1.812 2.513 -3.875) 4.962 2.909 ( 2.488 2.185 -5.447) 6.375 3.012 ( -1.203 1.133 1.113) 1.992 3.067 ( 2.985 -1.602 1.964) 3.916 3.181 ( 4.850 4.576 0.898) 6.728 3.337 ( 3.619 -8.649 -0.946) 9.423 3.458 ( 2.660 3.609 -0.802) 4.555 3.520 ( 3.245 -2.762 -1.774) 4.616 3.680 ( 4.440 10.555 4.715) 12.384 3.878 ( -1.754 2.280 1.569) 3.276 3.901 ( -0.011 -0.519 -0.312) 0.606 3.914 ( 3.447 -12.701 3.101) 13.521 3.969 ( 0.687 5.037 -0.917) 5.166 4.100 ( -1.193 -7.491 2.009) 7.847 4.375 ( -4.656 2.646 0.530) 5.382 4.424 ( -3.929 -2.426 -0.039) 4.617 4.623 ( 0.669 4.440 -0.946) 4.589 4.694 ( -0.540 -2.915 -0.326) 2.983 4.803 ( 0.390 1.229 0.475) 1.374 4.835 ( 0.780 -1.954 -0.164) 2.110 4.978 ( -0.567 0.260 0.341) 0.711 4.979 ( -0.323 0.062 0.782) 0.849 6.320 ( -0.359 2.278 5.243) 5.728 6.356 ( -0.119 -1.478 5.181) 5.389 6.948 ( -3.807 3.872 -5.038) 7.407 6.997 ( -2.845 -1.719 -3.689) 4.966 7.403 ( -0.636 3.136 6.351) 7.111 7.463 ( -0.575 -3.135 4.895) 5.842 8.092 ( -2.667 1.697 -3.252) 4.535 8.136 ( -3.226 -3.064 -2.244) 4.983 8.542 ( -1.878 1.959 -1.120) 2.936 8.577 ( -1.520 -1.715 -1.040) 2.516 8.706 ( 0.423 2.660 -2.045) 3.382 8.751 ( 1.214 -2.192 -2.734) 3.709 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 4.593 7.205 3.512) 9.238 1.740 ( 0.540 -1.291 1.820) 2.296 1.827 ( 7.370 10.890 2.004) 13.301 1.866 ( -4.428 7.237 0.006) 8.485 1.958 ( 3.378 -2.330 0.662) 4.157 2.015 ( -0.835 -7.195 1.450) 7.387 2.087 ( -4.702 -1.214 0.710) 4.908 2.186 ( -1.475 -7.518 3.051) 8.246 2.227 ( 2.009 2.306 -0.514) 3.102 2.335 ( 1.670 -6.123 -1.345) 6.488 2.445 ( -1.311 2.922 0.748) 3.289 2.547 ( -4.563 -6.620 0.457) 8.053 2.721 ( 2.221 2.160 -4.533) 5.491 2.742 ( -0.268 -0.787 -3.949) 4.036 2.894 ( 0.146 2.996 -3.481) 4.595 2.963 ( 0.591 -3.651 -2.746) 4.607 3.034 ( 5.097 7.722 -0.716) 9.280 3.150 ( 4.885 -3.468 -1.220) 6.113 3.296 ( 5.279 5.480 0.685) 7.640 3.388 ( 1.578 -3.563 -0.923) 4.005 3.516 ( 3.245 4.200 0.440) 5.326 3.599 ( 4.596 -3.284 -1.591) 5.869 3.772 ( 2.316 8.068 6.683) 10.729 3.820 ( -2.777 5.734 0.178) 6.374 3.882 ( -1.268 -1.846 0.697) 2.346 3.945 ( -0.883 0.814 1.740) 2.114 4.012 ( 1.676 -6.575 0.216) 6.788 4.080 ( -0.402 -6.291 0.800) 6.355 4.289 ( -3.350 0.980 1.680) 3.874 4.337 ( -4.483 -3.844 0.604) 5.936 4.629 ( -0.058 3.228 -1.015) 3.384 4.673 ( -1.400 -1.537 -0.244) 2.094 4.816 ( 0.813 1.178 0.374) 1.479 4.852 ( 0.919 -2.351 -0.432) 2.561 4.966 ( -0.528 0.477 -0.051) 0.714 4.973 ( -0.381 -0.277 0.345) 0.584 6.319 ( -0.559 2.395 5.017) 5.587 6.356 ( -0.633 -1.475 4.628) 4.898 6.877 ( -2.359 4.599 -3.293) 6.128 6.945 ( -1.720 -2.920 -2.682) 4.321 7.399 ( -0.722 3.022 5.216) 6.071 7.458 ( -0.681 -3.200 4.433) 5.510 8.046 ( -1.339 1.124 -2.879) 3.368 8.081 ( -1.906 -2.647 -1.832) 3.741 8.510 ( -0.954 2.151 -0.456) 2.397 8.550 ( -0.765 -2.009 -0.595) 2.231 8.715 ( 0.513 3.172 -1.735) 3.652 8.770 ( 1.014 -2.783 -2.479) 3.863 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -3.692 4.361 -0.864) 5.779 1.699 ( -4.153 1.830 -0.875) 4.622 1.829 ( 0.697 6.708 2.635) 7.240 1.950 ( 1.966 10.012 2.565) 10.520 1.967 ( -4.771 -4.837 -0.315) 6.802 2.015 ( 0.898 0.326 1.196) 1.531 2.029 ( 3.105 -3.435 2.478) 5.252 2.174 ( -1.168 -9.808 1.924) 10.063 2.241 ( -0.355 5.596 -0.461) 5.626 2.362 ( 0.560 -5.916 -0.540) 5.967 2.445 ( -0.079 -2.963 -0.782) 3.065 2.468 ( -0.928 -5.719 1.273) 5.932 2.756 ( 2.315 1.136 -2.828) 3.827 2.767 ( 2.787 -0.133 -2.763) 3.926 2.890 ( 0.058 3.183 -2.333) 3.947 2.955 ( -0.362 -3.203 -1.107) 3.409 3.138 ( 4.124 6.438 -1.369) 7.767 3.226 ( 2.613 -2.029 -3.598) 4.888 3.362 ( 1.798 3.443 -0.391) 3.904 3.396 ( -0.769 -0.487 -0.013) 0.910 3.568 ( 1.126 5.112 0.852) 5.303 3.633 ( -4.936 1.226 1.296) 5.248 3.720 ( -0.783 3.592 0.132) 3.678 3.828 ( -2.128 -4.088 2.381) 5.187 3.878 ( 0.113 3.554 1.220) 3.759 3.925 ( -0.558 0.393 3.296) 3.366 3.999 ( 0.194 -0.201 -0.726) 0.778 4.096 ( 0.495 -4.608 0.339) 4.647 4.268 ( -0.920 -1.669 2.191) 2.904 4.290 ( 1.979 -5.100 1.941) 5.805 4.616 ( -1.007 2.077 -1.509) 2.758 4.644 ( -1.339 -1.016 -0.940) 1.926 4.832 ( 0.638 1.131 0.439) 1.371 4.865 ( 0.361 -2.066 -0.366) 2.129 4.960 ( -0.083 0.529 -0.122) 0.550 4.968 ( -0.092 -0.407 0.001) 0.417 6.314 ( -0.762 2.323 4.720) 5.316 6.348 ( -0.909 -1.227 4.138) 4.410 6.854 ( 0.544 4.738 -2.460) 5.366 6.928 ( 0.476 -3.390 -2.064) 3.997 7.393 ( -0.580 3.025 4.507) 5.459 7.451 ( -0.614 -3.137 3.923) 5.060 8.036 ( 0.769 0.649 -2.401) 2.603 8.060 ( 0.127 -1.944 -1.614) 2.530 8.508 ( 0.782 2.397 0.446) 2.561 8.551 ( 0.936 -2.134 0.374) 2.360 8.716 ( -0.104 3.654 -2.129) 4.230 8.780 ( 0.420 -3.274 -2.627) 4.218 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -6.520 8.578 0.103) 10.775 1.623 ( -3.790 3.414 -1.541) 5.329 1.815 ( -5.662 1.610 0.667) 5.924 1.841 ( -2.622 2.703 0.381) 3.785 2.005 ( 1.427 -0.916 0.078) 1.697 2.019 ( -0.486 -2.078 2.090) 2.987 2.092 ( 1.494 -1.933 -0.768) 2.561 2.141 ( -1.126 -8.160 1.180) 8.321 2.231 ( -0.850 7.142 1.332) 7.315 2.342 ( -0.942 -4.116 -1.538) 4.494 2.463 ( 1.515 -2.505 2.759) 4.023 2.494 ( 1.913 -5.026 -1.744) 5.654 2.803 ( 2.426 1.463 -1.448) 3.182 2.819 ( 2.330 -0.113 -2.808) 3.651 2.903 ( 1.802 1.863 0.096) 2.594 2.955 ( 0.734 -3.023 -1.345) 3.389 3.163 ( -1.559 5.399 1.708) 5.874 3.228 ( -1.725 0.507 -2.339) 2.950 3.323 ( -7.980 6.383 2.912) 10.626 3.386 ( 0.783 0.876 -1.054) 1.578 3.500 ( -4.836 4.204 -0.383) 6.419 3.561 ( -1.624 4.710 0.350) 4.994 3.721 ( -0.308 -3.001 -1.348) 3.304 3.733 ( -6.562 -8.347 1.846) 10.777 3.872 ( -0.564 2.828 -0.757) 2.982 3.925 ( -0.298 -3.336 2.688) 4.295 4.051 ( 3.168 0.799 0.511) 3.307 4.092 ( -0.565 -2.732 1.455) 3.146 4.297 ( 3.714 2.110 2.098) 4.759 4.367 ( 4.339 -4.747 2.221) 6.804 4.590 ( -1.108 1.751 -2.280) 3.081 4.622 ( -0.613 -1.590 -2.182) 2.768 4.839 ( -0.061 0.913 0.728) 1.170 4.863 ( -0.411 -1.530 -0.369) 1.627 4.961 ( 0.174 0.691 0.188) 0.737 4.972 ( 0.446 -0.488 -0.018) 0.661 6.306 ( -0.730 2.161 4.561) 5.100 6.336 ( -0.936 -0.948 3.916) 4.137 6.888 ( 3.165 4.516 -2.847) 6.206 6.956 ( 2.576 -2.923 -2.165) 4.458 7.393 ( -0.140 2.922 4.589) 5.442 7.448 ( -0.254 -2.935 3.762) 4.779 8.067 ( 2.698 0.256 -1.878) 3.297 8.081 ( 2.253 -1.156 -1.569) 2.979 8.537 ( 1.721 2.554 0.801) 3.183 8.581 ( 1.676 -2.156 0.847) 2.859 8.709 ( -0.001 4.124 -2.509) 4.828 8.781 ( 0.230 -3.628 -2.753) 4.560 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -5.885 13.140 1.091) 14.439 1.536 ( -5.245 10.707 0.675) 11.942 1.684 ( -5.956 -4.536 0.357) 7.495 1.799 ( -3.053 -5.388 -0.323) 6.201 1.976 ( -2.227 0.832 -0.643) 2.463 2.033 ( 1.025 -3.027 -3.616) 4.825 2.109 ( 0.734 -1.471 1.506) 2.230 2.158 ( 2.706 -5.065 1.450) 5.923 2.205 ( -1.907 7.864 -0.185) 8.094 2.331 ( -0.609 -4.188 -1.803) 4.600 2.477 ( -0.135 -0.142 1.958) 1.967 2.537 ( 2.141 -4.329 0.406) 4.847 2.823 ( -0.639 3.052 0.319) 3.135 2.848 ( 1.362 -0.200 -4.000) 4.230 2.941 ( 1.315 0.881 0.608) 1.696 2.978 ( 0.870 -3.211 -0.632) 3.386 3.110 ( -5.564 10.109 4.373) 12.340 3.138 ( -5.517 10.935 0.987) 12.287 3.183 ( -3.221 -2.815 1.594) 4.566 3.375 ( -2.411 -4.406 -0.178) 5.025 3.440 ( -2.062 2.257 -1.041) 3.229 3.522 ( -2.128 0.117 -0.382) 2.166 3.617 ( -4.609 -3.266 2.284) 6.093 3.721 ( 0.545 -5.072 -4.145) 6.573 3.852 ( -0.983 1.784 -1.118) 2.324 3.911 ( -1.436 -5.712 2.232) 6.299 4.072 ( -0.822 1.098 2.748) 3.071 4.109 ( 1.471 -2.689 1.513) 3.418 4.390 ( 4.566 3.471 1.231) 5.866 4.445 ( 2.969 -2.180 1.581) 4.008 4.571 ( -0.263 2.155 -2.684) 3.452 4.619 ( 0.860 -2.802 -3.024) 4.212 4.833 ( -0.584 0.614 0.864) 1.211 4.850 ( -0.864 -1.026 -0.352) 1.387 4.966 ( 0.201 1.144 0.575) 1.296 4.982 ( 0.498 -0.629 0.401) 0.897 6.302 ( -0.332 1.774 4.671) 5.007 6.325 ( -0.786 -0.568 4.047) 4.162 6.956 ( 4.022 4.025 -4.130) 7.030 7.014 ( 3.488 -2.169 -3.093) 5.142 7.402 ( 0.147 2.579 5.262) 5.861 7.454 ( 0.150 -2.785 4.088) 4.949 8.124 ( 3.097 0.652 -1.681) 3.584 8.142 ( 4.076 -1.256 -1.832) 4.642 8.564 ( 0.750 2.213 0.122) 2.340 8.603 ( 0.184 -1.929 0.273) 1.957 8.719 ( 1.500 4.071 -2.524) 5.019 8.785 ( 0.706 -3.112 -2.670) 4.161 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -3.369 16.632 1.702) 17.055 1.425 ( -5.526 17.903 3.700) 19.098 1.608 ( -1.907 -11.438 -0.196) 11.597 1.725 ( -3.676 -12.937 1.589) 13.543 1.953 ( 0.120 6.578 -1.712) 6.798 2.050 ( 1.239 -2.000 -4.485) 5.064 2.135 ( 2.317 3.227 2.056) 4.473 2.159 ( -2.233 8.197 -2.038) 8.737 2.246 ( 4.928 -7.901 0.271) 9.316 2.304 ( -1.069 -5.246 -2.481) 5.901 2.467 ( -1.611 3.280 3.799) 5.271 2.567 ( 0.408 -3.625 3.305) 4.922 2.787 ( -2.627 5.709 1.220) 6.402 2.846 ( -1.496 -2.313 -3.150) 4.185 2.950 ( -3.665 8.846 3.548) 10.211 2.959 ( 0.031 -0.222 -1.698) 1.712 2.982 ( -2.942 4.800 -0.149) 5.632 3.130 ( 1.085 2.099 -0.221) 2.373 3.154 ( -0.567 -1.808 1.320) 2.310 3.295 ( -4.676 -11.119 0.331) 12.067 3.409 ( -1.018 3.010 -0.941) 3.314 3.483 ( -1.547 -4.285 -0.943) 4.653 3.565 ( -1.401 5.685 2.534) 6.380 3.730 ( 1.109 -7.522 -3.240) 8.264 3.842 ( 0.285 1.297 -1.425) 1.948 3.885 ( -1.185 -5.395 1.925) 5.850 4.052 ( -1.588 3.450 3.166) 4.944 4.129 ( 0.247 -4.558 2.377) 5.146 4.453 ( 1.600 2.672 0.068) 3.116 4.487 ( 1.352 -1.010 0.249) 1.706 4.577 ( 1.151 3.401 -2.236) 4.230 4.642 ( 1.723 -3.318 -2.431) 4.459 4.821 ( -0.806 0.533 0.756) 1.227 4.834 ( -0.579 -0.687 -0.117) 0.906 4.971 ( 0.191 1.418 1.054) 1.777 4.990 ( 0.217 -0.650 0.809) 1.060 6.308 ( 0.135 1.084 4.909) 5.029 6.319 ( -0.464 0.007 4.574) 4.597 7.020 ( 2.926 3.521 -5.195) 6.924 7.071 ( 2.612 -1.766 -4.683) 5.645 7.411 ( -0.219 2.346 6.045) 6.488 7.464 ( 0.054 -2.894 4.550) 5.392 8.174 ( 2.036 1.951 -2.312) 3.647 8.218 ( 3.458 -2.705 -2.483) 5.044 8.568 ( -0.061 1.389 -0.467) 1.467 8.592 ( -0.950 -1.211 -0.155) 1.547 8.747 ( 1.420 3.166 -3.292) 4.783 8.792 ( 0.039 -1.573 -3.079) 3.458 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -1.453 0.000 20.392) 20.443 0.868 ( 0.417 0.000 19.976) 19.980 1.429 ( 3.014 0.000 25.136) 25.316 1.701 ( 0.094 0.000 -1.971) 1.973 1.724 ( 0.539 0.000 -7.600) 7.619 1.854 ( 2.069 0.000 -1.656) 2.650 2.130 ( -2.262 0.000 -5.168) 5.641 2.247 ( 1.754 0.000 -1.129) 2.086 2.342 ( -3.470 0.000 6.995) 7.808 2.459 ( 0.928 0.000 -1.695) 1.933 2.479 ( 3.968 0.000 -3.358) 5.198 2.679 ( -2.563 0.000 0.227) 2.573 2.680 ( -1.928 0.000 -0.655) 2.037 2.808 ( 1.564 0.000 -4.414) 4.683 2.880 ( 3.612 0.000 0.847) 3.710 3.040 ( -1.836 0.000 4.194) 4.579 3.054 ( -0.406 0.000 -0.605) 0.729 3.131 ( 0.602 0.000 1.443) 1.563 3.210 ( -1.322 0.000 -2.285) 2.639 3.311 ( 1.147 0.000 0.275) 1.179 3.496 ( 3.830 0.000 0.138) 3.832 3.528 ( 0.191 0.000 8.216) 8.218 3.584 ( -3.281 0.000 1.391) 3.564 3.636 ( -3.839 0.000 -5.220) 6.479 3.780 ( 2.692 0.000 -2.352) 3.575 3.860 ( -4.778 0.000 -0.614) 4.817 4.234 ( 2.384 0.000 -2.798) 3.676 4.314 ( 1.151 0.000 -1.255) 1.703 4.398 ( -0.729 0.000 -0.776) 1.064 4.448 ( -0.768 0.000 2.816) 2.918 4.559 ( 0.429 0.000 -8.106) 8.117 4.610 ( 1.516 0.000 -2.862) 3.239 4.804 ( -0.521 0.000 3.621) 3.658 4.878 ( 0.126 0.000 1.116) 1.123 4.934 ( 1.394 0.000 -1.406) 1.980 4.970 ( 0.099 0.000 -1.355) 1.359 6.407 ( -0.374 0.000 8.839) 8.847 6.469 ( 0.902 0.000 4.612) 4.700 6.533 ( 0.140 0.000 1.386) 1.393 6.940 ( 0.295 0.000 -6.692) 6.698 7.625 ( 0.337 0.000 5.786) 5.795 7.677 ( -2.643 0.000 17.151) 17.353 8.027 ( -0.842 0.000 -5.739) 5.801 8.343 ( 1.958 0.000 -0.938) 2.171 8.480 ( 2.160 0.000 -0.611) 2.245 8.504 ( 0.091 0.000 -1.597) 1.600 8.665 ( 2.442 0.000 2.157) 3.258 8.717 ( -1.612 0.000 0.378) 1.656 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 11.596 0.000 13.818) 18.040 0.990 ( 8.220 0.000 15.521) 17.563 1.654 ( 13.704 0.000 13.590) 19.300 1.710 ( 2.002 0.000 3.815) 4.308 1.726 ( 0.306 0.000 -5.790) 5.798 1.915 ( 4.936 0.000 -1.333) 5.113 2.109 ( 0.236 0.000 -1.598) 1.615 2.285 ( -2.745 0.000 4.632) 5.384 2.313 ( 4.401 0.000 -2.725) 5.176 2.440 ( -1.992 0.000 -3.027) 3.624 2.523 ( 1.358 0.000 -4.010) 4.234 2.624 ( -2.706 0.000 0.097) 2.707 2.632 ( -3.382 0.000 1.993) 3.926 2.817 ( 0.022 0.000 -2.319) 2.319 2.952 ( 2.493 0.000 -1.796) 3.073 3.016 ( 0.101 0.000 4.366) 4.367 3.065 ( 1.931 0.000 -1.612) 2.516 3.169 ( 1.945 0.000 3.178) 3.726 3.171 ( -2.200 0.000 -1.763) 2.819 3.327 ( 0.112 0.000 0.554) 0.566 3.381 ( -10.559 0.000 5.600) 11.952 3.578 ( 4.788 0.000 0.507) 4.815 3.598 ( 0.831 0.000 -7.211) 7.259 3.651 ( 4.302 0.000 4.890) 6.513 3.791 ( -2.882 0.000 -0.954) 3.036 3.834 ( 2.660 0.000 -0.798) 2.777 4.269 ( 1.653 0.000 -2.507) 3.003 4.308 ( -1.688 0.000 -0.311) 1.717 4.380 ( -0.933 0.000 -1.502) 1.768 4.434 ( -0.842 0.000 1.472) 1.695 4.546 ( -0.389 0.000 -8.150) 8.159 4.632 ( 1.116 0.000 -2.963) 3.166 4.814 ( 0.914 0.000 3.513) 3.630 4.887 ( 0.536 0.000 1.172) 1.288 4.937 ( -0.463 0.000 -1.704) 1.766 4.984 ( 1.189 0.000 -1.833) 2.185 6.408 ( -0.954 0.000 9.248) 9.297 6.484 ( -0.148 0.000 4.214) 4.216 6.542 ( 0.487 0.000 0.875) 1.001 6.930 ( -0.077 0.000 -7.034) 7.035 7.616 ( -2.516 0.000 11.178) 11.457 7.676 ( -0.211 0.000 13.303) 13.305 7.994 ( -1.437 0.000 -5.929) 6.101 8.343 ( -1.652 0.000 -2.180) 2.735 8.494 ( -0.798 0.000 -1.635) 1.819 8.525 ( 2.244 0.000 -0.575) 2.317 8.676 ( -2.389 0.000 -0.129) 2.392 8.722 ( 2.755 0.000 0.279) 2.769 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 11.298 0.000 9.581) 14.813 1.266 ( 15.015 0.000 7.833) 16.936 1.709 ( -1.026 0.000 -3.612) 3.755 1.710 ( 0.332 0.000 -5.364) 5.374 1.975 ( 8.086 0.000 7.942) 11.334 2.040 ( 6.876 0.000 0.195) 6.879 2.141 ( 6.699 0.000 11.918) 13.672 2.286 ( 3.093 0.000 -1.699) 3.529 2.355 ( -0.804 0.000 -5.119) 5.182 2.417 ( 1.080 0.000 -1.495) 1.844 2.507 ( -2.163 0.000 -1.803) 2.816 2.551 ( -4.047 0.000 1.050) 4.181 2.618 ( 2.637 0.000 -2.204) 3.437 2.824 ( 1.141 0.000 0.021) 1.141 2.961 ( 0.077 0.000 1.642) 1.644 3.059 ( 1.884 0.000 0.806) 2.049 3.069 ( -4.985 0.000 1.539) 5.218 3.142 ( -1.839 0.000 -0.166) 1.847 3.194 ( -3.996 0.000 1.707) 4.345 3.197 ( 0.113 0.000 3.075) 3.077 3.329 ( -0.508 0.000 4.385) 4.414 3.632 ( 3.651 0.000 -8.932) 9.650 3.660 ( 1.462 0.000 -0.159) 1.470 3.733 ( -2.384 0.000 -1.908) 3.054 3.734 ( 3.187 0.000 5.420) 6.288 3.875 ( 2.323 0.000 -0.372) 2.352 4.253 ( -3.630 0.000 1.494) 3.926 4.283 ( -0.493 0.000 -0.579) 0.760 4.366 ( 0.502 0.000 -4.525) 4.553 4.423 ( -0.395 0.000 0.488) 0.628 4.522 ( -0.526 0.000 -8.471) 8.487 4.642 ( 0.385 0.000 -3.140) 3.163 4.844 ( 1.409 0.000 2.715) 3.059 4.901 ( 0.678 0.000 1.264) 1.435 4.923 ( -0.678 0.000 -1.322) 1.486 5.000 ( 0.647 0.000 -1.535) 1.666 6.398 ( -1.526 0.000 9.395) 9.518 6.477 ( -1.159 0.000 3.767) 3.941 6.553 ( 0.490 0.000 0.061) 0.494 6.918 ( 0.081 0.000 -7.464) 7.464 7.573 ( -3.637 0.000 12.082) 12.618 7.686 ( -0.827 0.000 9.373) 9.410 7.959 ( -1.035 0.000 -6.012) 6.101 8.276 ( -4.356 0.000 -4.303) 6.123 8.473 ( -0.998 0.000 -0.473) 1.104 8.560 ( 1.282 0.000 0.005) 1.282 8.633 ( -1.746 0.000 -0.226) 1.761 8.765 ( 1.768 0.000 -1.977) 2.652 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 8.699 0.000 5.030) 10.049 1.545 ( 11.172 0.000 7.085) 13.229 1.678 ( -3.457 0.000 -1.853) 3.922 1.696 ( 0.701 0.000 -0.434) 0.824 1.984 ( -1.743 0.000 4.608) 4.927 2.107 ( -1.714 0.000 2.567) 3.086 2.333 ( 4.323 0.000 -4.023) 5.905 2.347 ( 1.436 0.000 -6.883) 7.031 2.375 ( -3.867 0.000 -0.032) 3.867 2.402 ( 5.909 0.000 -1.828) 6.185 2.516 ( 6.758 0.000 6.093) 9.099 2.572 ( 5.691 0.000 0.065) 5.691 2.702 ( 6.119 0.000 -2.250) 6.520 2.809 ( -6.331 0.000 -2.052) 6.655 2.938 ( -2.370 0.000 5.432) 5.927 2.981 ( 1.375 0.000 4.817) 5.009 3.051 ( -3.189 0.000 -1.137) 3.385 3.069 ( -3.081 0.000 2.673) 4.079 3.189 ( -0.742 0.000 1.658) 1.817 3.242 ( 3.355 0.000 1.445) 3.653 3.327 ( -0.479 0.000 5.156) 5.179 3.577 ( -9.069 0.000 -1.201) 9.148 3.691 ( -1.667 0.000 -1.536) 2.267 3.703 ( 4.751 0.000 -9.744) 10.841 3.794 ( 2.220 0.000 6.328) 6.706 3.968 ( 6.779 0.000 0.172) 6.781 4.184 ( -3.639 0.000 2.361) 4.338 4.237 ( -3.873 0.000 0.303) 3.885 4.390 ( 2.347 0.000 -6.675) 7.076 4.419 ( -0.177 0.000 0.655) 0.678 4.506 ( 0.391 0.000 -9.025) 9.033 4.636 ( -0.453 0.000 -3.522) 3.551 4.873 ( 1.056 0.000 1.836) 2.118 4.908 ( -0.604 0.000 -0.862) 1.052 4.914 ( 0.311 0.000 1.505) 1.536 5.005 ( 0.126 0.000 -0.862) 0.872 6.380 ( -1.807 0.000 9.234) 9.409 6.453 ( -1.755 0.000 3.552) 3.962 6.559 ( 0.108 0.000 -0.647) 0.656 6.913 ( 0.698 0.000 -7.662) 7.694 7.518 ( -3.595 0.000 11.282) 11.841 7.672 ( -1.820 0.000 6.569) 6.816 7.941 ( 0.392 0.000 -5.891) 5.904 8.174 ( -4.737 0.000 -6.011) 7.653 8.457 ( -0.635 0.000 1.016) 1.198 8.571 ( -0.320 0.000 0.476) 0.574 8.615 ( 0.025 0.000 0.152) 0.154 8.788 ( 1.149 0.000 -4.106) 4.264 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.026 0.000 1.732) 1.733 1.558 ( -8.632 0.000 5.722) 10.356 1.692 ( 2.390 0.000 4.611) 5.194 1.716 ( -0.651 0.000 3.056) 3.125 2.001 ( 2.806 0.000 2.516) 3.769 2.064 ( 0.212 0.000 1.042) 1.063 2.241 ( -7.613 0.000 0.197) 7.615 2.355 ( -0.264 0.000 -5.347) 5.354 2.415 ( 2.652 0.000 -4.893) 5.566 2.467 ( 3.342 0.000 -2.220) 4.012 2.613 ( -4.979 0.000 -1.401) 5.172 2.678 ( 4.917 0.000 0.497) 4.942 2.751 ( 7.221 0.000 -0.900) 7.277 2.817 ( 3.810 0.000 0.350) 3.826 2.918 ( -7.788 0.000 1.030) 7.855 2.948 ( -1.011 0.000 3.352) 3.501 3.035 ( 0.824 0.000 5.551) 5.612 3.052 ( 1.857 0.000 4.372) 4.750 3.183 ( -0.305 0.000 -0.505) 0.590 3.291 ( 0.949 0.000 3.957) 4.069 3.328 ( -0.118 0.000 4.716) 4.717 3.367 ( -8.618 0.000 -2.577) 8.995 3.673 ( -0.071 0.000 -2.112) 2.113 3.766 ( 2.278 0.000 -3.665) 4.315 3.862 ( 4.615 0.000 1.297) 4.793 4.100 ( 3.766 0.000 -2.209) 4.367 4.128 ( 0.157 0.000 4.555) 4.558 4.141 ( -5.728 0.000 -0.303) 5.736 4.418 ( -0.013 0.000 0.379) 0.379 4.421 ( 1.746 0.000 -6.718) 6.941 4.510 ( 1.341 0.000 -9.046) 9.145 4.615 ( -0.959 0.000 -3.932) 4.047 4.888 ( 0.252 0.000 1.426) 1.449 4.896 ( -0.554 0.000 -0.359) 0.660 4.915 ( -0.515 0.000 1.796) 1.868 5.003 ( -0.162 0.000 -0.552) 0.575 6.361 ( -1.445 0.000 9.120) 9.234 6.425 ( -1.602 0.000 3.823) 4.145 6.555 ( -0.302 0.000 -0.823) 0.876 6.919 ( 1.066 0.000 -7.530) 7.605 7.482 ( -1.497 0.000 11.319) 11.417 7.642 ( -1.960 0.000 4.961) 5.334 7.961 ( 2.662 0.000 -5.396) 6.017 8.089 ( -2.704 0.000 -6.608) 7.140 8.453 ( 0.020 0.000 1.920) 1.920 8.551 ( -1.621 0.000 0.319) 1.652 8.633 ( 1.643 0.000 0.848) 1.849 8.797 ( 0.381 0.000 -5.939) 5.951 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -11.881 0.000 11.005) 16.195 1.409 ( -11.355 0.000 3.849) 11.989 1.694 ( -1.289 0.000 -0.724) 1.479 1.715 ( 1.525 0.000 0.846) 1.744 2.021 ( -8.986 0.000 1.165) 9.061 2.036 ( -2.291 0.000 5.836) 6.270 2.180 ( 4.860 0.000 -1.908) 5.221 2.326 ( -1.417 0.000 -7.423) 7.557 2.395 ( -3.266 0.000 -0.583) 3.317 2.525 ( 0.385 0.000 4.333) 4.350 2.604 ( 3.996 0.000 -6.355) 7.507 2.624 ( -8.513 0.000 0.935) 8.564 2.735 ( -7.457 0.000 7.516) 10.587 2.860 ( -2.493 0.000 -2.282) 3.380 2.872 ( 0.037 0.000 -0.104) 0.110 2.930 ( 3.413 0.000 1.994) 3.953 3.050 ( 1.634 0.000 2.167) 2.714 3.131 ( 4.181 0.000 4.691) 6.284 3.155 ( 0.377 0.000 -1.767) 1.807 3.294 ( -1.129 0.000 6.412) 6.511 3.339 ( 2.661 0.000 -4.607) 5.320 3.341 ( 0.840 0.000 2.806) 2.929 3.673 ( 0.432 0.000 -3.634) 3.660 3.785 ( -0.103 0.000 2.583) 2.585 3.954 ( 2.314 0.000 -5.736) 6.185 4.032 ( -3.018 0.000 0.808) 3.124 4.083 ( -0.233 0.000 -0.197) 0.305 4.232 ( 4.853 0.000 -0.158) 4.855 4.416 ( -0.265 0.000 -0.182) 0.321 4.433 ( 0.493 0.000 -5.525) 5.547 4.524 ( 1.419 0.000 -8.514) 8.631 4.591 ( -0.754 0.000 -4.028) 4.098 4.886 ( -0.431 0.000 0.243) 0.495 4.887 ( -0.798 0.000 2.009) 2.162 4.900 ( -1.110 0.000 1.495) 1.862 4.997 ( -0.350 0.000 -0.750) 0.827 6.356 ( -0.439 0.000 9.248) 9.258 6.408 ( -0.728 0.000 4.488) 4.546 6.546 ( -0.464 0.000 -0.284) 0.544 6.928 ( 0.981 0.000 -7.214) 7.280 7.506 ( 2.059 0.000 12.209) 12.381 7.617 ( -1.201 0.000 4.836) 4.983 8.027 ( 3.884 0.000 -4.511) 5.953 8.054 ( 1.052 0.000 -6.060) 6.151 8.463 ( 0.659 0.000 1.849) 1.963 8.515 ( -1.841 0.000 -0.309) 1.867 8.674 ( 2.184 0.000 1.409) 2.599 8.777 ( -1.551 0.000 -7.264) 7.427 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -12.529 0.000 13.964) 18.761 1.156 ( -14.179 0.000 9.450) 17.040 1.661 ( -2.214 0.000 -2.440) 3.294 1.756 ( 1.947 0.000 -3.214) 3.758 1.856 ( -6.170 0.000 -1.102) 6.267 1.863 ( -15.250 0.000 12.256) 19.564 2.293 ( -1.054 0.000 -5.902) 5.995 2.294 ( 5.585 0.000 -0.906) 5.658 2.328 ( -2.997 0.000 -0.405) 3.025 2.391 ( -7.674 0.000 11.850) 14.118 2.539 ( -6.213 0.000 1.543) 6.402 2.679 ( 3.874 0.000 -7.622) 8.550 2.693 ( 3.559 0.000 -0.193) 3.564 2.797 ( -2.888 0.000 1.197) 3.126 2.816 ( -3.148 0.000 0.284) 3.161 3.026 ( 3.717 0.000 0.750) 3.792 3.059 ( -0.599 0.000 0.776) 0.981 3.203 ( 2.346 0.000 2.403) 3.359 3.212 ( 2.386 0.000 0.124) 2.389 3.282 ( -0.629 0.000 4.776) 4.818 3.357 ( 0.765 0.000 -4.810) 4.871 3.374 ( 2.121 0.000 4.260) 4.759 3.689 ( 2.141 0.000 -4.990) 5.430 3.767 ( -2.542 0.000 4.272) 4.971 3.862 ( -6.144 0.000 -5.054) 7.955 4.089 ( -0.269 0.000 -4.415) 4.423 4.095 ( 5.022 0.000 -2.042) 5.422 4.275 ( -0.128 0.000 -3.817) 3.819 4.422 ( 1.074 0.000 3.160) 3.338 4.427 ( -0.360 0.000 -3.394) 3.413 4.538 ( 1.434 0.000 -8.013) 8.140 4.578 ( 0.156 0.000 -3.679) 3.682 4.860 ( -2.116 0.000 2.958) 3.637 4.884 ( 0.229 0.000 0.837) 0.868 4.886 ( -0.591 0.000 0.914) 1.088 4.987 ( -0.462 0.000 -1.093) 1.186 6.372 ( 0.435 0.000 9.255) 9.265 6.412 ( 0.424 0.000 4.966) 4.984 6.538 ( -0.429 0.000 0.630) 0.762 6.935 ( 0.859 0.000 -6.872) 6.925 7.580 ( 2.086 0.000 8.165) 8.428 7.625 ( 1.929 0.000 9.602) 9.794 8.041 ( 0.670 0.000 -5.772) 5.811 8.151 ( 6.615 0.000 -2.644) 7.124 8.482 ( 0.880 0.000 0.882) 1.246 8.482 ( -1.431 0.000 -1.108) 1.810 8.711 ( -3.813 0.000 -5.778) 6.923 8.715 ( 1.509 0.000 1.477) 2.111 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -9.626 0.000 16.864) 19.418 0.939 ( -10.249 0.000 17.075) 19.914 1.498 ( -12.676 0.000 19.230) 23.032 1.709 ( -1.290 0.000 1.116) 1.706 1.741 ( -1.226 0.000 -8.102) 8.195 1.822 ( 1.345 0.000 -0.469) 1.424 2.215 ( -5.050 0.000 -5.190) 7.241 2.260 ( -2.600 0.000 -0.082) 2.601 2.362 ( 0.918 0.000 12.363) 12.397 2.404 ( 4.635 0.000 -1.052) 4.753 2.440 ( -2.396 0.000 -3.856) 4.540 2.709 ( -0.123 0.000 -4.895) 4.896 2.722 ( -1.669 0.000 -0.003) 1.669 2.784 ( 0.652 0.000 -2.865) 2.938 2.808 ( 3.638 0.000 2.371) 4.342 3.050 ( -0.346 0.000 2.542) 2.565 3.062 ( 0.136 0.000 0.519) 0.537 3.175 ( -4.278 0.000 0.013) 4.278 3.227 ( 0.031 0.000 -0.918) 0.918 3.290 ( 0.775 0.000 1.743) 1.907 3.414 ( 4.553 0.000 -1.195) 4.707 3.443 ( 4.025 0.000 6.458) 7.609 3.691 ( -5.452 0.000 2.443) 5.974 3.733 ( 2.840 0.000 -5.147) 5.879 3.743 ( -5.469 0.000 -3.816) 6.669 3.997 ( -7.536 0.000 -5.617) 9.399 4.179 ( 3.752 0.000 -2.662) 4.600 4.281 ( 1.755 0.000 -1.124) 2.084 4.413 ( -0.611 0.000 -1.464) 1.586 4.447 ( 0.430 0.000 3.781) 3.806 4.554 ( 1.332 0.000 -8.111) 8.219 4.586 ( 1.186 0.000 -3.090) 3.310 4.823 ( -1.879 0.000 3.249) 3.753 4.879 ( -0.300 0.000 1.029) 1.072 4.902 ( 1.508 0.000 0.322) 1.542 4.977 ( -0.399 0.000 -1.297) 1.356 6.394 ( 0.215 0.000 8.845) 8.847 6.438 ( 1.297 0.000 4.937) 5.105 6.532 ( -0.233 0.000 1.310) 1.331 6.940 ( 0.698 0.000 -6.647) 6.684 7.605 ( 0.535 0.000 5.350) 5.377 7.687 ( 0.402 0.000 12.764) 12.770 8.042 ( 0.182 0.000 -5.642) 5.645 8.271 ( 5.375 0.000 -1.169) 5.501 8.459 ( -0.262 0.000 -0.965) 1.000 8.498 ( 0.664 0.000 -0.512) 0.838 8.646 ( -1.322 0.000 0.298) 1.355 8.732 ( -0.013 0.000 1.039) 1.039 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.091 8.878 17.771) 19.865 0.992 ( 0.140 11.158 17.497) 20.753 1.544 ( 2.842 10.577 14.669) 18.307 1.737 ( 0.335 2.300 -1.518) 2.776 1.759 ( -0.874 4.239 -6.515) 7.822 1.882 ( 2.723 3.605 -1.006) 4.628 2.104 ( -1.329 -2.385 -4.115) 4.939 2.191 ( 1.344 -5.385 0.288) 5.558 2.375 ( -2.060 3.203 7.900) 8.770 2.435 ( 1.897 -3.515 -3.041) 5.020 2.462 ( 0.877 0.080 0.207) 0.905 2.643 ( -3.249 -2.798 -0.106) 4.289 2.701 ( -1.228 1.152 -0.707) 1.826 2.816 ( 1.221 0.688 -3.515) 3.784 2.863 ( 1.504 -1.663 0.678) 2.343 3.017 ( -0.982 -2.601 3.611) 4.557 3.057 ( 1.362 -1.520 0.552) 2.114 3.099 ( -0.254 -1.401 -1.030) 1.757 3.204 ( -1.641 -0.978 -1.971) 2.745 3.311 ( 1.630 -0.934 -2.158) 2.861 3.403 ( 0.363 -4.372 2.330) 4.968 3.523 ( -0.096 -0.242 7.596) 7.601 3.601 ( -1.788 -1.335 -3.527) 4.174 3.700 ( -0.987 5.499 -0.493) 5.609 3.791 ( 2.545 1.055 -1.944) 3.372 3.876 ( -4.981 1.994 -0.631) 5.402 4.216 ( 2.882 -2.462 -3.806) 5.372 4.340 ( 1.846 1.273 -1.673) 2.798 4.391 ( -1.118 -4.645 0.262) 4.785 4.429 ( -1.457 1.834 1.999) 3.080 4.504 ( 0.579 -1.176 -3.287) 3.539 4.651 ( 1.348 1.707 -3.949) 4.508 4.817 ( -0.480 0.860 1.893) 2.134 4.857 ( 0.619 -1.715 0.438) 1.875 4.951 ( 0.775 1.541 0.246) 1.742 4.981 ( -0.135 1.142 -0.614) 1.304 6.405 ( -0.430 0.176 8.348) 8.361 6.456 ( 0.890 -0.044 6.449) 6.510 6.657 ( -0.110 9.499 -3.894) 10.267 6.945 ( 0.228 0.575 -7.080) 7.107 7.621 ( 0.698 -0.611 6.078) 6.148 7.657 ( -2.520 -1.800 15.990) 16.287 8.034 ( -0.853 0.790 -5.875) 5.989 8.313 ( 1.622 -3.150 -2.870) 4.560 8.503 ( 1.283 2.362 -0.820) 2.810 8.513 ( 0.050 0.968 -1.532) 1.812 8.663 ( 2.366 -0.160 1.669) 2.900 8.720 ( -1.806 0.248 -0.179) 1.832 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 9.831 7.770 12.753) 17.879 1.097 ( 7.760 10.091 13.417) 18.494 1.713 ( 7.341 4.769 -0.853) 8.795 1.744 ( 1.837 3.555 0.739) 4.069 1.750 ( 3.140 2.907 4.585) 6.271 1.946 ( 3.680 2.570 -1.736) 4.813 2.118 ( 3.476 1.259 -1.115) 3.861 2.254 ( 3.775 -4.599 0.078) 5.950 2.329 ( -2.586 3.675 4.723) 6.519 2.439 ( -1.068 -0.316 -2.228) 2.491 2.466 ( -1.198 -4.685 -1.126) 4.965 2.585 ( -1.962 -2.404 0.105) 3.104 2.668 ( -1.486 1.624 0.484) 2.253 2.801 ( -1.493 -1.778 -2.123) 3.146 2.913 ( 2.255 -2.993 -1.122) 3.911 2.993 ( -1.163 -1.818 4.427) 4.925 3.082 ( 0.559 -2.214 2.241) 3.200 3.134 ( 2.949 -0.888 -1.386) 3.377 3.163 ( -1.549 -0.629 -1.959) 2.575 3.319 ( -2.837 -3.040 -2.075) 4.648 3.367 ( -1.343 1.595 4.257) 4.740 3.563 ( 1.275 -2.428 -4.816) 5.542 3.587 ( 2.320 -0.865 5.416) 5.956 3.712 ( 1.656 5.899 0.457) 6.144 3.806 ( -1.691 1.569 -2.021) 3.066 3.843 ( 2.154 1.003 0.267) 2.391 4.265 ( 2.783 -2.197 -4.963) 6.100 4.343 ( -1.984 2.026 0.557) 2.890 4.369 ( -0.758 -1.755 -1.014) 2.164 4.399 ( -1.476 -1.173 2.212) 2.906 4.506 ( 0.141 -1.361 -4.614) 4.813 4.665 ( 0.631 1.918 -3.498) 4.039 4.818 ( 0.338 0.113 1.916) 1.948 4.873 ( 0.878 -1.311 0.443) 1.639 4.955 ( -0.433 1.626 -0.552) 1.771 4.986 ( 0.679 0.375 -0.515) 0.931 6.407 ( -0.750 0.181 8.840) 8.874 6.475 ( 0.096 0.049 5.435) 5.436 6.640 ( -0.848 8.088 -2.794) 8.599 6.933 ( -0.222 0.288 -7.247) 7.256 7.613 ( -2.760 -0.407 11.542) 11.875 7.658 ( 0.091 -1.737 11.798) 11.925 8.001 ( -1.522 0.698 -5.956) 6.187 8.305 ( -1.812 -3.881 -3.069) 5.269 8.496 ( -0.848 0.600 -1.415) 1.756 8.544 ( 2.019 1.641 -0.800) 2.722 8.672 ( -2.438 -0.398 -0.398) 2.502 8.719 ( 2.433 -0.374 0.009) 2.461 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 10.723 6.503 8.989) 15.430 1.331 ( 13.441 6.677 7.096) 16.601 1.726 ( -0.404 1.462 -2.931) 3.300 1.731 ( -0.593 2.306 -4.831) 5.386 1.996 ( 3.326 1.047 4.155) 5.425 2.001 ( 9.291 -0.425 3.729) 10.021 2.236 ( 7.563 5.057 3.448) 9.729 2.264 ( -0.066 -0.699 -0.767) 1.040 2.345 ( -0.956 -1.655 -0.914) 2.119 2.392 ( -0.802 -3.470 -0.971) 3.692 2.430 ( -1.118 -1.853 -1.402) 2.579 2.568 ( 0.106 -2.019 -1.213) 2.358 2.668 ( 1.714 4.613 0.802) 4.986 2.785 ( 0.730 -3.714 -0.671) 3.844 2.910 ( -2.574 -4.729 1.367) 5.555 2.999 ( 0.059 -2.997 4.741) 5.610 3.073 ( -1.272 -2.085 0.749) 2.555 3.096 ( -3.673 -3.022 0.828) 4.828 3.222 ( 3.041 2.547 -0.377) 3.985 3.243 ( -1.293 3.098 -0.859) 3.465 3.370 ( 0.006 3.983 3.173) 5.092 3.572 ( 1.030 -5.562 -6.380) 8.527 3.669 ( 3.862 0.257 3.694) 5.351 3.731 ( -0.439 3.771 -0.080) 3.797 3.802 ( 1.346 3.261 -0.030) 3.527 3.875 ( 1.612 0.166 -0.430) 1.677 4.270 ( -3.799 1.478 1.405) 4.312 4.317 ( 0.460 -5.330 -3.571) 6.432 4.336 ( -0.996 4.964 -0.674) 5.107 4.394 ( 0.368 -3.183 -0.043) 3.205 4.496 ( -0.185 -1.327 -5.715) 5.870 4.664 ( -0.278 1.532 -3.246) 3.600 4.834 ( 0.918 -0.826 1.647) 2.059 4.890 ( 0.728 -1.049 0.200) 1.292 4.942 ( -0.574 1.612 -0.143) 1.717 4.996 ( 0.372 -0.209 -0.593) 0.731 6.402 ( -1.234 0.473 9.069) 9.165 6.475 ( -0.894 0.196 4.464) 4.557 6.620 ( -0.729 6.068 -1.866) 6.390 6.918 ( -0.062 -0.033 -7.363) 7.363 7.568 ( -3.552 -0.461 11.911) 12.438 7.670 ( -0.727 -1.636 8.827) 9.007 7.963 ( -1.212 0.430 -5.939) 6.077 8.239 ( -4.026 -3.725 -4.347) 6.999 8.476 ( -0.934 0.446 -0.429) 1.120 8.575 ( 1.061 1.278 -0.435) 1.717 8.628 ( -1.651 -0.363 -0.383) 1.734 8.758 ( 1.616 -0.809 -1.909) 2.629 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 7.629 4.713 4.557) 10.059 1.588 ( 10.463 4.200 5.906) 12.727 1.690 ( -3.452 1.921 -1.427) 4.200 1.723 ( 1.060 2.233 0.353) 2.497 1.995 ( -0.965 0.791 4.130) 4.314 2.118 ( -1.112 1.445 2.865) 3.396 2.286 ( 0.721 -7.021 -2.216) 7.397 2.306 ( 2.038 -2.376 -2.847) 4.231 2.343 ( -1.893 -4.083 1.538) 4.756 2.397 ( 1.026 -1.002 -4.145) 4.386 2.448 ( 6.101 2.250 -1.259) 6.624 2.632 ( 5.892 -1.541 -1.770) 6.342 2.736 ( 4.755 2.187 0.694) 5.279 2.770 ( -6.045 -3.366 -0.670) 6.951 2.857 ( 0.938 -4.839 4.292) 6.536 2.998 ( -1.005 -3.435 4.207) 5.524 3.037 ( -2.757 -0.799 -0.851) 2.994 3.078 ( 2.894 3.868 2.126) 5.278 3.202 ( -1.335 1.227 0.476) 1.875 3.299 ( 2.425 4.305 -0.431) 4.960 3.372 ( -0.643 5.935 4.893) 7.719 3.572 ( -1.211 -3.004 -2.317) 3.982 3.665 ( -5.695 2.001 -0.328) 6.045 3.734 ( 3.415 2.030 -4.517) 6.015 3.837 ( 1.540 3.005 4.000) 5.235 3.947 ( 5.864 -1.986 -0.108) 6.192 4.190 ( -4.165 0.506 2.553) 4.912 4.254 ( -4.651 0.041 0.714) 4.706 4.369 ( 2.067 -0.816 -5.683) 6.102 4.405 ( 0.926 -1.855 0.102) 2.076 4.490 ( 0.729 -0.902 -6.702) 6.801 4.645 ( -1.021 0.747 -3.280) 3.516 4.854 ( 0.748 -1.437 1.230) 2.034 4.898 ( 0.003 -0.679 -0.444) 0.812 4.937 ( -0.016 1.358 0.873) 1.614 4.998 ( -0.054 -0.592 -0.387) 0.709 6.388 ( -1.551 0.923 9.020) 9.199 6.457 ( -1.587 0.422 3.972) 4.298 6.607 ( -0.362 4.623 -1.627) 4.915 6.911 ( 0.574 -0.295 -7.301) 7.329 7.516 ( -3.359 -0.123 10.915) 11.421 7.657 ( -1.713 -1.511 6.542) 6.929 7.942 ( 0.199 0.081 -5.712) 5.716 8.148 ( -4.100 -2.667 -5.605) 7.439 8.462 ( -0.512 0.543 0.942) 1.202 8.581 ( -0.241 0.719 -0.093) 0.764 8.613 ( -0.036 0.075 0.055) 0.100 8.779 ( 1.045 -1.038 -3.892) 4.161 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -0.924 2.374 1.498) 2.956 1.576 ( -7.892 1.768 4.715) 9.362 1.725 ( 1.985 3.835 3.966) 5.863 1.753 ( -0.242 3.307 3.658) 4.937 2.015 ( 3.153 1.022 2.472) 4.135 2.075 ( -0.871 1.245 1.264) 1.976 2.202 ( -7.611 -3.463 0.753) 8.396 2.334 ( 1.008 -4.680 -1.289) 4.958 2.361 ( 1.866 -3.831 -1.574) 4.543 2.437 ( 3.953 -1.781 -4.696) 6.392 2.560 ( 2.947 -1.941 -2.117) 4.115 2.636 ( -2.600 -4.264 -1.889) 5.340 2.727 ( 2.619 -3.112 -1.448) 4.317 2.848 ( -0.419 -0.022 -0.603) 0.734 2.868 ( 2.951 -3.986 3.017) 5.805 2.964 ( -3.466 2.799 0.195) 4.459 3.017 ( 2.439 -2.374 2.608) 4.288 3.175 ( 0.110 0.406 0.406) 0.584 3.180 ( 3.163 7.730 2.436) 8.700 3.287 ( -5.446 3.573 2.310) 6.911 3.358 ( -0.336 4.664 2.872) 5.488 3.478 ( -4.237 7.548 1.898) 8.861 3.624 ( 0.763 -3.205 -1.052) 3.458 3.794 ( 2.505 1.511 -5.236) 5.997 3.876 ( 2.703 1.274 2.810) 4.102 4.071 ( 5.672 -3.354 -0.969) 6.660 4.120 ( -3.266 -0.478 2.205) 3.970 4.153 ( -5.048 0.585 1.400) 5.271 4.380 ( 0.140 -2.074 -2.218) 3.040 4.435 ( 1.987 -0.232 -2.735) 3.389 4.501 ( 1.218 -0.528 -6.819) 6.947 4.617 ( -1.227 0.118 -3.546) 3.754 4.863 ( -0.152 -1.641 0.708) 1.794 4.893 ( -0.284 -0.373 -0.254) 0.533 4.940 ( -0.004 1.476 1.482) 2.092 4.995 ( -0.178 -0.808 -0.360) 0.902 6.373 ( -1.346 1.236 8.924) 9.109 6.431 ( -1.533 0.666 4.137) 4.461 6.601 ( 0.110 4.468 -1.604) 4.749 6.916 ( 1.037 -0.412 -7.089) 7.176 7.483 ( -1.423 0.163 10.732) 10.827 7.630 ( -1.820 -1.268 5.143) 5.601 7.958 ( 2.456 -0.247 -5.147) 5.708 8.075 ( -2.115 -1.348 -6.089) 6.585 8.461 ( 0.249 0.878 1.795) 2.014 8.565 ( -1.371 1.408 -0.381) 2.002 8.627 ( 1.422 -0.602 0.799) 1.738 8.786 ( 0.439 -1.113 -5.575) 5.702 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -10.898 2.934 9.278) 14.610 1.432 ( -10.357 3.161 4.333) 11.663 1.727 ( -1.973 3.111 0.262) 3.693 1.745 ( 1.331 3.075 0.590) 3.403 1.982 ( -9.058 -2.040 1.675) 9.434 2.082 ( -0.420 3.274 4.758) 5.791 2.151 ( 3.317 -2.628 -2.286) 4.810 2.319 ( -1.286 -2.349 -3.299) 4.249 2.352 ( -2.486 -2.047 -0.996) 3.371 2.525 ( 4.818 -3.357 2.271) 6.296 2.570 ( -2.280 -2.936 -3.551) 5.141 2.634 ( 1.936 -1.147 -5.022) 5.503 2.754 ( -6.303 -2.929 2.203) 7.291 2.788 ( 3.145 -4.308 -2.742) 5.997 2.820 ( -6.786 3.645 8.821) 11.711 2.966 ( 0.212 4.445 -0.525) 4.481 3.063 ( -0.550 -2.714 2.133) 3.495 3.124 ( -0.167 -0.878 2.410) 2.570 3.201 ( 1.736 4.794 -1.531) 5.324 3.272 ( 1.133 0.189 1.183) 1.649 3.361 ( 0.075 2.673 -1.067) 2.879 3.464 ( 0.808 8.673 4.164) 9.655 3.641 ( 0.883 -1.862 -2.142) 2.972 3.802 ( -0.776 0.976 1.550) 1.989 3.949 ( 2.100 -0.292 -5.537) 5.929 4.022 ( -3.293 -1.369 0.993) 3.702 4.100 ( -0.202 1.712 0.189) 1.734 4.185 ( 4.074 -4.545 0.271) 6.109 4.378 ( 0.050 -2.297 -0.398) 2.332 4.462 ( 0.952 1.308 -2.906) 3.326 4.508 ( 0.444 -1.189 -5.792) 5.929 4.594 ( -0.226 0.089 -4.091) 4.098 4.852 ( -0.876 -1.488 0.218) 1.741 4.887 ( -0.477 -0.364 0.589) 0.841 4.938 ( -0.457 2.059 1.624) 2.662 4.991 ( -0.074 -0.544 -0.564) 0.788 6.368 ( -0.528 1.199 8.998) 9.093 6.413 ( -0.937 0.708 4.756) 4.898 6.608 ( 0.811 5.660 -1.598) 5.937 6.927 ( 1.130 -0.211 -6.911) 7.006 7.502 ( 1.588 -0.300 11.310) 11.425 7.609 ( -0.965 -0.881 5.114) 5.278 8.021 ( 4.084 -0.613 -4.225) 5.908 8.050 ( 0.945 -0.385 -5.854) 5.942 8.476 ( 0.851 1.313 1.712) 2.320 8.533 ( -1.518 1.871 -1.069) 2.636 8.662 ( 1.648 -1.191 1.032) 2.280 8.774 ( -0.779 -0.498 -6.395) 6.461 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -12.202 4.009 10.927) 16.863 1.212 ( -11.743 6.979 11.142) 17.628 1.687 ( -2.383 2.689 -1.546) 3.912 1.780 ( 1.515 1.229 -0.697) 2.071 1.813 ( -6.888 0.823 -1.034) 7.013 1.981 ( -9.232 7.103 5.461) 12.865 2.223 ( 2.160 -4.395 -3.740) 6.162 2.272 ( -2.861 -4.111 1.733) 5.300 2.320 ( 0.011 -0.331 -1.400) 1.439 2.436 ( -7.041 -0.148 -0.334) 7.051 2.571 ( -6.314 6.103 9.323) 12.807 2.645 ( 2.998 -4.521 1.353) 5.591 2.703 ( 3.580 2.313 -6.139) 7.473 2.738 ( -1.471 -1.917 1.465) 2.826 2.870 ( 0.748 -2.500 -1.643) 3.084 2.956 ( 1.833 -0.730 1.177) 2.297 3.038 ( -1.079 -2.069 0.547) 2.397 3.170 ( 1.793 -3.320 0.334) 3.788 3.235 ( 0.594 1.444 1.466) 2.142 3.274 ( -0.326 0.797 0.940) 1.275 3.352 ( -0.674 1.029 -2.522) 2.806 3.491 ( 1.296 6.926 4.577) 8.402 3.654 ( 0.944 -2.363 -3.577) 4.390 3.777 ( -2.008 0.503 1.835) 2.766 3.863 ( -5.645 0.079 -3.386) 6.583 4.062 ( 1.754 -1.967 -4.987) 5.640 4.109 ( 1.257 0.628 -0.051) 1.406 4.241 ( 2.292 -2.837 -1.600) 3.983 4.387 ( 0.722 -2.991 1.631) 3.482 4.462 ( -0.310 2.151 -2.728) 3.488 4.503 ( -0.107 -1.405 -3.066) 3.374 4.600 ( 1.484 0.721 -4.743) 5.021 4.835 ( -0.823 -1.148 0.626) 1.545 4.873 ( -1.030 -0.352 0.989) 1.470 4.932 ( -0.268 2.362 1.484) 2.803 4.989 ( -0.083 0.224 -0.707) 0.747 6.381 ( 0.295 0.899 8.998) 9.047 6.410 ( -0.248 0.341 5.503) 5.519 6.628 ( 1.460 7.637 -2.116) 8.058 6.938 ( 1.084 0.249 -6.870) 6.959 7.563 ( 1.931 -1.610 8.863) 9.212 7.619 ( 1.330 -0.659 8.464) 8.593 8.046 ( 0.956 0.375 -5.714) 5.805 8.136 ( 6.249 -1.389 -3.085) 7.106 8.491 ( 0.151 1.288 0.188) 1.310 8.513 ( -0.016 2.828 -1.327) 3.124 8.672 ( -1.235 -2.026 -1.277) 2.694 8.748 ( -0.435 1.263 -2.840) 3.138 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -9.274 7.088 15.557) 19.449 1.041 ( -7.486 9.367 15.951) 19.956 1.583 ( -7.403 7.265 8.667) 13.517 1.736 ( -0.566 2.206 -1.321) 2.632 1.797 ( -0.947 4.369 -6.260) 7.693 1.855 ( -1.605 5.282 3.234) 6.398 2.172 ( -4.275 -3.891 -4.095) 7.084 2.212 ( -3.271 -4.707 1.119) 5.840 2.361 ( 2.162 -1.429 3.711) 4.526 2.389 ( 2.066 -0.952 -0.540) 2.338 2.478 ( -3.433 4.566 4.879) 7.512 2.689 ( -0.500 -2.987 -1.131) 3.233 2.714 ( -0.305 -0.341 -0.926) 1.033 2.770 ( 3.225 0.596 -1.534) 3.621 2.854 ( -0.228 2.793 -1.462) 3.160 3.010 ( 1.450 -5.274 1.127) 5.584 3.032 ( 0.654 -2.064 1.302) 2.526 3.149 ( -3.490 -2.286 -1.040) 4.300 3.228 ( -0.661 -0.269 -0.208) 0.743 3.286 ( 1.098 0.044 0.732) 1.321 3.358 ( 2.065 -1.034 0.070) 2.311 3.523 ( 0.512 2.780 5.952) 6.589 3.642 ( -1.850 -2.631 -2.982) 4.386 3.754 ( -1.026 1.450 -2.285) 2.894 3.763 ( -2.587 1.486 -1.082) 3.174 3.995 ( -5.930 0.160 -3.858) 7.076 4.162 ( 3.177 -1.928 -2.190) 4.313 4.292 ( 3.006 0.340 -1.492) 3.373 4.401 ( 0.114 -4.702 1.220) 4.859 4.449 ( -0.733 2.545 -0.673) 2.733 4.499 ( 0.258 -1.097 -2.188) 2.461 4.627 ( 1.771 1.285 -4.507) 5.010 4.825 ( -0.442 -0.017 1.486) 1.550 4.855 ( -0.673 -1.063 0.755) 1.468 4.936 ( 0.490 2.151 1.163) 2.494 4.986 ( -0.171 0.910 -0.734) 1.182 6.398 ( -0.138 0.493 8.199) 8.215 6.425 ( 0.891 -0.028 6.671) 6.730 6.652 ( 1.192 9.279 -3.427) 9.964 6.946 ( 0.806 0.597 -6.941) 7.013 7.596 ( 0.755 -1.138 6.294) 6.440 7.664 ( 0.240 -2.012 12.033) 12.202 8.050 ( 0.238 0.726 -5.856) 5.906 8.249 ( 5.183 -2.206 -2.767) 6.275 8.488 ( 0.175 2.248 -1.509) 2.713 8.517 ( 0.120 2.445 -1.219) 2.735 8.639 ( -0.633 -0.635 0.715) 1.147 8.743 ( -0.457 0.817 -0.100) 0.942 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 0.609 13.916 11.739) 18.216 1.241 ( 0.837 14.944 13.231) 19.977 1.738 ( 0.320 -2.758 -0.858) 2.906 1.748 ( 3.657 10.345 0.349) 10.978 1.858 ( -1.873 5.218 -6.039) 8.199 1.953 ( 1.905 -0.248 -3.682) 4.153 2.067 ( -0.269 -6.057 1.920) 6.359 2.098 ( 1.188 3.753 0.296) 3.948 2.346 ( 1.157 -5.869 -1.764) 6.237 2.414 ( 3.724 0.248 1.929) 4.201 2.498 ( -3.496 0.037 2.863) 4.519 2.637 ( -4.906 7.468 7.270) 11.519 2.716 ( -0.583 -0.108 -0.573) 0.825 2.806 ( -2.917 -3.755 -1.983) 5.152 2.837 ( 2.054 0.756 -0.181) 2.196 2.933 ( 1.030 -5.426 0.591) 5.555 3.005 ( 0.408 -2.517 1.199) 2.818 3.086 ( -0.131 -0.892 -1.063) 1.394 3.182 ( -1.466 -1.340 -1.652) 2.583 3.283 ( 0.202 -0.876 -3.507) 3.620 3.376 ( 0.271 0.020 1.063) 1.098 3.506 ( 0.068 -2.671 -1.040) 2.867 3.583 ( -2.094 0.420 4.649) 5.116 3.766 ( 1.383 1.351 -0.570) 2.016 3.814 ( 2.087 1.183 -1.455) 2.806 3.937 ( -3.431 3.830 -1.521) 5.362 4.114 ( 0.915 -7.963 1.104) 8.091 4.254 ( 1.117 -5.192 -0.082) 5.312 4.405 ( 0.105 2.733 -0.312) 2.753 4.481 ( -0.506 1.453 -1.663) 2.265 4.512 ( 0.084 2.491 0.679) 2.584 4.664 ( 1.731 -0.311 -2.913) 3.403 4.820 ( -0.793 -0.570 0.577) 1.134 4.834 ( 0.690 -0.530 -0.202) 0.893 4.982 ( 0.377 1.675 1.555) 2.316 5.006 ( -0.280 1.320 0.727) 1.533 6.417 ( -0.472 1.099 7.926) 8.016 6.461 ( 0.726 0.325 7.251) 7.294 6.816 ( 0.047 6.900 -7.180) 9.958 6.957 ( 0.089 0.510 -7.881) 7.898 7.596 ( 0.651 -1.740 9.894) 10.067 7.626 ( -1.583 -1.485 10.060) 10.292 8.056 ( -0.798 1.567 -6.100) 6.348 8.236 ( 0.711 -4.684 -5.197) 7.032 8.536 ( 0.508 1.472 -0.970) 1.834 8.555 ( -0.411 2.605 -1.469) 3.019 8.661 ( 1.836 0.052 -0.050) 1.837 8.721 ( -1.963 -0.327 -1.482) 2.481 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 7.861 12.565 9.229) 17.460 1.331 ( 6.053 14.309 10.590) 18.803 1.744 ( 0.651 -1.177 -1.621) 2.106 1.811 ( -0.711 4.103 -5.991) 7.296 1.882 ( 7.904 8.326 3.088) 11.888 1.971 ( 0.683 0.266 -3.628) 3.701 2.119 ( 4.630 -9.186 1.231) 10.360 2.166 ( 5.047 3.455 -1.840) 6.387 2.346 ( -1.575 -5.371 -0.480) 5.618 2.437 ( -3.162 -0.109 -0.297) 3.178 2.454 ( -0.269 1.737 3.504) 3.920 2.557 ( -3.710 3.457 2.875) 5.830 2.694 ( 0.474 0.926 1.444) 1.780 2.759 ( -2.105 -1.502 -1.321) 2.904 2.867 ( 0.196 -1.843 -0.813) 2.024 2.936 ( -1.054 -5.076 3.465) 6.236 3.025 ( 1.259 -1.796 1.355) 2.578 3.073 ( -0.934 -2.863 -0.270) 3.024 3.177 ( 1.505 -1.343 -0.758) 2.155 3.297 ( 1.608 1.667 -3.478) 4.179 3.386 ( 1.144 -0.874 0.214) 1.455 3.493 ( -0.974 -3.487 -3.434) 4.990 3.598 ( 2.604 2.007 6.807) 7.559 3.807 ( 2.684 3.191 -0.470) 4.196 3.848 ( 0.968 1.567 -2.674) 3.247 3.884 ( -1.366 4.885 0.893) 5.150 4.137 ( 1.432 -10.177 -0.138) 10.278 4.270 ( 0.450 -5.395 0.092) 5.414 4.393 ( -1.416 2.634 0.092) 2.992 4.458 ( -1.569 2.757 -0.704) 3.250 4.510 ( -0.223 2.322 -1.110) 2.583 4.685 ( 0.768 -0.003 -3.031) 3.127 4.812 ( -0.038 -0.571 0.615) 0.840 4.849 ( 0.773 -1.162 -0.036) 1.396 4.986 ( -0.378 1.544 0.930) 1.842 4.999 ( -0.349 0.965 0.892) 1.360 6.420 ( -0.611 1.175 8.271) 8.377 6.480 ( 0.044 0.169 6.459) 6.461 6.787 ( -1.641 6.941 -6.287) 9.508 6.939 ( -0.620 0.144 -7.625) 7.652 7.599 ( -2.679 -1.069 12.639) 12.964 7.623 ( 0.262 -1.749 8.064) 8.256 8.020 ( -1.750 1.446 -6.047) 6.459 8.213 ( -1.996 -5.460 -4.702) 7.477 8.518 ( -1.302 1.632 -1.392) 2.509 8.575 ( 1.525 1.469 -0.746) 2.245 8.662 ( -2.144 -0.539 -1.217) 2.524 8.708 ( 1.590 -0.785 -0.699) 1.906 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 9.439 10.311 7.067) 15.664 1.502 ( 9.687 11.378 5.866) 16.053 1.749 ( 0.077 0.625 -1.517) 1.642 1.788 ( -0.936 3.579 -4.137) 5.550 1.971 ( 1.164 -1.187 -0.424) 1.716 2.076 ( 8.589 5.160 3.800) 10.716 2.193 ( 0.864 -7.846 0.842) 7.938 2.246 ( 2.926 0.259 -4.220) 5.141 2.297 ( -3.017 -5.940 0.737) 6.703 2.376 ( -1.499 0.071 1.000) 1.803 2.458 ( 1.535 1.457 -2.143) 3.012 2.507 ( -1.357 -0.138 1.308) 1.890 2.701 ( -1.890 -4.223 -2.198) 5.122 2.763 ( 4.173 4.639 0.694) 6.278 2.815 ( -4.970 -5.042 -0.253) 7.084 2.924 ( -0.869 -5.257 3.764) 6.524 3.042 ( -0.693 -1.262 1.080) 1.800 3.081 ( 2.918 2.578 1.777) 4.280 3.212 ( 1.355 -2.362 1.016) 2.907 3.335 ( 2.624 5.542 -2.506) 6.624 3.428 ( 3.110 -1.819 -0.872) 3.707 3.483 ( 0.935 -0.464 -2.388) 2.606 3.679 ( 4.233 1.414 4.671) 6.461 3.831 ( -1.436 5.538 -0.152) 5.724 3.857 ( 1.623 3.580 -0.459) 3.958 3.884 ( 0.524 0.788 0.282) 0.988 4.169 ( 1.741 -10.101 -1.216) 10.321 4.260 ( -2.122 -4.277 1.191) 4.921 4.356 ( -1.758 0.916 0.928) 2.189 4.422 ( -1.954 2.461 -1.066) 3.318 4.504 ( 0.044 3.002 -2.317) 3.792 4.682 ( -0.565 0.231 -2.874) 2.938 4.819 ( 0.513 -0.738 0.644) 1.106 4.864 ( 0.795 -1.673 -0.314) 1.879 4.972 ( -0.956 1.411 0.549) 1.791 4.996 ( -0.288 0.185 0.720) 0.797 6.419 ( -0.851 1.347 8.405) 8.554 6.482 ( -0.870 0.215 5.572) 5.643 6.742 ( -1.890 6.330 -4.544) 8.018 6.914 ( -0.546 -0.472 -7.019) 7.056 7.560 ( -3.092 -0.313 11.008) 11.439 7.632 ( -0.741 -2.305 7.923) 8.285 7.976 ( -1.608 1.071 -5.754) 6.070 8.153 ( -3.170 -5.121 -4.679) 7.627 8.492 ( -1.063 1.278 -0.534) 1.746 8.586 ( -0.621 -0.669 -0.546) 1.063 8.633 ( -0.065 1.374 -1.201) 1.826 8.737 ( 1.280 -1.424 -1.802) 2.629 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 4.354 6.990 2.787) 8.694 1.684 ( 4.593 6.149 1.657) 7.852 1.748 ( 1.605 2.986 -0.060) 3.390 1.775 ( 1.391 4.521 2.972) 5.586 1.998 ( 1.002 -0.563 2.283) 2.556 2.149 ( -3.875 -3.132 1.086) 5.099 2.168 ( 0.496 -0.074 3.858) 3.891 2.241 ( -3.387 -4.683 2.290) 6.217 2.304 ( 3.707 0.156 -4.319) 5.694 2.366 ( -0.049 -3.063 -0.202) 3.070 2.512 ( 3.344 3.155 -6.922) 8.310 2.530 ( 3.438 -6.744 0.265) 7.574 2.682 ( -0.064 -4.905 -1.740) 5.205 2.704 ( -4.688 -5.554 1.037) 7.342 2.846 ( 2.917 2.047 -2.553) 4.384 2.917 ( 1.293 -3.561 1.380) 4.032 3.019 ( -1.403 -0.473 1.001) 1.787 3.164 ( 3.625 3.255 2.538) 5.493 3.231 ( 1.025 2.287 -0.369) 2.533 3.370 ( 0.956 2.913 -0.951) 3.210 3.503 ( 4.429 0.078 0.602) 4.471 3.527 ( 3.113 5.496 -0.127) 6.318 3.722 ( -3.331 3.748 -0.666) 5.058 3.803 ( -0.395 5.205 3.440) 6.251 3.872 ( 1.749 0.314 0.803) 1.950 3.916 ( 2.135 -0.427 -0.134) 2.181 4.181 ( -0.923 -5.908 -0.039) 5.979 4.189 ( -4.673 -2.541 1.588) 5.552 4.354 ( 1.431 -2.758 0.730) 3.192 4.380 ( -2.002 0.211 -0.738) 2.144 4.509 ( 0.850 3.473 -3.403) 4.936 4.656 ( -1.543 0.282 -2.633) 3.064 4.831 ( 0.538 -0.959 0.583) 1.245 4.876 ( 0.483 -1.703 -0.933) 2.001 4.958 ( -0.451 0.907 0.670) 1.215 4.989 ( -0.510 -0.344 0.419) 0.745 6.413 ( -1.103 1.640 8.406) 8.635 6.466 ( -1.430 0.437 4.989) 5.208 6.707 ( -0.941 5.587 -3.312) 6.562 6.899 ( 0.148 -1.102 -6.365) 6.462 7.517 ( -2.747 0.365 9.733) 10.120 7.620 ( -1.567 -2.415 6.608) 7.208 7.948 ( -0.194 0.675 -5.245) 5.292 8.085 ( -2.649 -3.741 -4.935) 6.736 8.479 ( -0.264 1.273 0.688) 1.471 8.575 ( 0.054 -1.252 0.010) 1.253 8.634 ( -0.166 1.986 -1.245) 2.350 8.752 ( 0.753 -1.745 -3.403) 3.898 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -3.605 3.123 1.227) 4.925 1.631 ( -4.849 4.110 2.036) 6.674 1.813 ( 0.349 3.612 3.225) 4.855 1.833 ( 0.910 6.720 3.087) 7.451 2.025 ( 3.004 0.063 2.260) 3.760 2.083 ( -4.267 -1.290 3.140) 5.452 2.151 ( -2.495 -3.560 -0.873) 4.433 2.214 ( 1.835 -2.761 4.318) 5.444 2.324 ( 0.060 -2.095 0.948) 2.300 2.400 ( 1.813 -2.563 -3.532) 4.726 2.526 ( -2.617 -6.358 0.056) 6.875 2.558 ( 2.258 0.580 -6.947) 7.328 2.677 ( 2.556 -1.624 -5.024) 5.866 2.704 ( -0.319 -8.548 1.957) 8.775 2.875 ( 3.192 -1.598 -0.262) 3.580 2.975 ( 0.392 -2.952 -3.954) 4.950 3.025 ( 3.952 4.694 2.233) 6.530 3.178 ( -1.365 0.772 -1.541) 2.199 3.276 ( 2.441 4.100 0.498) 4.797 3.364 ( -2.083 2.678 -0.557) 3.438 3.535 ( -5.787 8.105 2.418) 10.248 3.574 ( -0.809 5.185 3.813) 6.487 3.627 ( 1.913 4.243 0.117) 4.656 3.824 ( 1.225 2.431 -2.255) 3.535 3.900 ( 1.416 1.545 2.334) 3.137 3.983 ( 3.916 -5.596 0.281) 6.836 4.093 ( -5.197 -3.169 1.276) 6.219 4.149 ( -1.668 -0.992 1.605) 2.518 4.349 ( -1.044 -1.540 0.499) 1.926 4.403 ( 3.123 -3.020 -0.038) 4.344 4.517 ( 0.294 2.492 -3.698) 4.469 4.619 ( -1.657 0.082 -2.773) 3.232 4.838 ( 0.107 -0.896 0.111) 0.910 4.879 ( -0.037 -1.241 -0.940) 1.557 4.959 ( 0.352 0.520 1.013) 1.192 4.980 ( -0.384 -0.631 0.104) 0.746 6.403 ( -1.165 1.864 8.330) 8.615 6.446 ( -1.361 0.753 5.010) 5.245 6.698 ( 0.615 5.426 -2.940) 6.202 6.901 ( 0.974 -1.386 -5.993) 6.228 7.491 ( -1.294 0.728 9.181) 9.301 7.597 ( -1.513 -2.172 5.596) 6.191 7.957 ( 2.023 0.290 -4.552) 4.990 8.043 ( -0.784 -2.055 -5.043) 5.502 8.486 ( 0.800 1.736 1.475) 2.414 8.587 ( 0.654 -0.073 -0.199) 0.688 8.623 ( -0.330 1.077 -0.829) 1.398 8.756 ( 0.358 -2.063 -4.799) 5.236 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -8.507 5.091 5.157) 11.175 1.530 ( -6.824 6.554 4.701) 10.565 1.796 ( -2.044 3.797 0.945) 4.415 1.811 ( -1.737 3.405 1.456) 4.090 1.970 ( -6.175 1.009 0.374) 6.268 2.096 ( 1.548 -2.437 -2.251) 3.661 2.137 ( 0.835 0.576 2.665) 2.852 2.228 ( -1.511 -5.372 2.481) 6.108 2.322 ( -1.617 -2.571 0.884) 3.163 2.404 ( 0.399 -7.222 1.592) 7.406 2.514 ( 0.380 -2.615 -3.886) 4.699 2.594 ( 2.630 -3.031 -0.494) 4.043 2.683 ( 0.575 -1.934 -2.816) 3.464 2.732 ( 3.137 -0.820 -6.051) 6.865 2.938 ( -1.567 0.732 1.338) 2.187 2.979 ( 4.008 -3.375 -0.489) 5.263 3.087 ( -0.371 6.376 2.169) 6.745 3.123 ( -4.872 2.894 0.002) 5.667 3.251 ( -3.865 2.947 -0.431) 4.880 3.324 ( 0.450 3.386 0.395) 3.438 3.426 ( -3.044 3.694 -1.134) 4.919 3.570 ( -0.666 2.234 4.034) 4.659 3.662 ( -0.131 3.615 -0.713) 3.687 3.816 ( -1.247 1.076 0.629) 1.763 3.953 ( -4.623 -2.458 -0.299) 5.244 3.971 ( 2.851 -1.013 -0.358) 3.047 4.085 ( 3.799 -5.363 0.022) 6.572 4.132 ( -0.548 0.899 1.591) 1.908 4.343 ( 0.257 -1.033 2.155) 2.404 4.463 ( 2.695 -1.462 0.321) 3.083 4.506 ( -0.622 1.361 -3.440) 3.752 4.589 ( -0.611 -0.538 -3.447) 3.542 4.835 ( -0.350 -0.384 -0.731) 0.897 4.874 ( -0.391 -1.022 -0.064) 1.096 4.965 ( -0.120 0.822 1.172) 1.436 4.981 ( 0.633 -0.448 0.039) 0.776 6.397 ( -0.722 1.765 8.319) 8.535 6.431 ( -1.008 0.946 5.478) 5.650 6.721 ( 2.117 5.894 -3.383) 7.118 6.917 ( 1.588 -1.022 -6.146) 6.430 7.499 ( 0.595 0.130 9.303) 9.323 7.585 ( -0.531 -1.739 5.619) 5.905 8.011 ( 3.780 -0.298 -3.853) 5.406 8.040 ( 1.473 -0.704 -5.114) 5.369 8.510 ( 1.176 2.245 1.398) 2.895 8.580 ( -0.606 2.906 -2.465) 3.858 8.636 ( 0.956 -1.511 0.657) 1.905 8.753 ( 0.187 -1.856 -5.133) 5.462 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -8.744 8.645 8.523) 14.961 1.389 ( -8.089 11.372 8.345) 16.261 1.752 ( -2.654 2.903 1.124) 4.091 1.776 ( -1.638 -0.134 -0.689) 1.782 1.882 ( -1.823 4.844 -4.623) 6.939 2.053 ( -4.091 -1.688 -1.527) 4.681 2.165 ( -1.812 -3.367 0.390) 3.844 2.196 ( -0.827 -0.464 3.865) 3.979 2.278 ( -1.610 -3.647 0.891) 4.084 2.373 ( -2.556 -5.814 -3.807) 7.405 2.555 ( 2.933 -3.898 2.476) 5.471 2.627 ( 0.679 -1.659 2.780) 3.308 2.736 ( 3.936 -0.619 -3.738) 5.463 2.779 ( 2.502 -1.559 -5.008) 5.811 2.855 ( -6.252 12.659 5.377) 15.108 2.985 ( -3.532 -0.150 -0.017) 3.536 3.031 ( -1.171 1.925 2.115) 3.091 3.095 ( 0.800 -2.467 -0.951) 2.762 3.229 ( -0.522 -1.247 -0.163) 1.362 3.325 ( -0.491 3.108 -0.410) 3.173 3.380 ( -1.624 1.786 -2.452) 3.442 3.556 ( -1.488 0.052 4.325) 4.574 3.644 ( -0.765 0.990 -2.507) 2.802 3.790 ( -1.177 1.467 -0.064) 1.882 3.842 ( -5.122 -3.721 0.938) 6.400 4.024 ( 1.485 -2.253 -3.589) 4.491 4.109 ( -1.331 -0.787 2.764) 3.167 4.171 ( 3.671 -3.673 -0.519) 5.219 4.364 ( 1.395 1.504 2.112) 2.944 4.490 ( -0.193 0.198 -2.516) 2.531 4.498 ( 0.547 1.084 0.773) 1.440 4.594 ( 1.710 -1.272 -3.821) 4.375 4.826 ( -0.310 0.057 -0.845) 0.902 4.861 ( -0.970 -0.926 0.481) 1.424 4.965 ( 0.049 1.279 1.228) 1.773 4.996 ( 0.652 0.351 0.389) 0.836 6.403 ( -0.044 1.360 8.347) 8.457 6.424 ( -0.552 0.942 6.147) 6.243 6.764 ( 2.772 6.409 -4.604) 8.364 6.940 ( 1.710 -0.233 -6.789) 7.005 7.534 ( 1.140 -1.156 8.835) 8.983 7.598 ( 0.817 -1.635 7.191) 7.419 8.053 ( 1.646 0.404 -5.210) 5.479 8.108 ( 5.183 -1.524 -3.940) 6.686 8.524 ( 0.062 2.063 -0.063) 2.065 8.579 ( 0.944 4.001 -2.717) 4.928 8.637 ( -0.836 -1.741 -0.493) 1.993 8.753 ( 0.456 -0.801 -3.214) 3.344 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -5.919 12.239 11.416) 17.753 1.266 ( -5.289 14.196 11.770) 19.184 1.712 ( -0.668 3.860 1.048) 4.056 1.753 ( -0.786 1.092 -2.075) 2.473 1.875 ( 1.293 4.511 -7.543) 8.883 1.967 ( -3.645 0.485 -0.172) 3.681 2.108 ( -3.132 -4.839 0.758) 5.814 2.128 ( -4.294 1.793 2.375) 5.224 2.327 ( 4.439 -2.055 -0.334) 4.902 2.337 ( -0.315 -4.708 -1.727) 5.025 2.558 ( -2.760 -1.047 3.891) 4.884 2.666 ( 1.631 2.336 5.578) 6.263 2.741 ( -2.978 5.828 4.304) 7.833 2.804 ( 0.968 3.408 -3.185) 4.764 2.828 ( 2.258 -5.640 -3.312) 6.919 2.936 ( -1.769 -1.795 -1.223) 2.802 3.007 ( -0.903 -0.343 1.826) 2.066 3.096 ( -0.659 -2.352 -1.459) 2.845 3.211 ( -1.177 -1.553 0.182) 1.957 3.301 ( -1.320 1.123 -2.696) 3.205 3.366 ( 0.294 1.270 -0.095) 1.307 3.524 ( -1.995 -1.750 2.251) 3.480 3.623 ( -1.555 -0.284 0.155) 1.588 3.768 ( -1.865 -1.705 -0.090) 2.528 3.786 ( 0.646 1.869 -0.872) 2.161 4.006 ( -2.631 -0.171 -3.425) 4.322 4.099 ( 0.135 -4.070 2.552) 4.806 4.225 ( 1.962 -4.845 -0.044) 5.228 4.393 ( 1.125 3.007 0.334) 3.227 4.486 ( 0.164 0.487 -2.654) 2.703 4.506 ( 0.233 1.923 1.671) 2.559 4.630 ( 2.160 -0.784 -3.125) 3.879 4.824 ( 0.282 0.040 -0.478) 0.556 4.839 ( -1.214 -0.775 0.582) 1.553 4.972 ( 0.391 1.720 1.567) 2.359 5.006 ( 0.252 0.977 0.589) 1.168 6.414 ( -0.341 1.081 7.706) 7.789 6.435 ( 0.579 0.691 7.357) 7.412 6.805 ( 2.023 6.654 -6.256) 9.354 6.957 ( 1.116 0.397 -7.536) 7.629 7.566 ( 0.857 -1.538 8.585) 8.764 7.626 ( 0.204 -2.132 9.080) 9.329 8.068 ( 0.618 1.199 -5.848) 6.001 8.196 ( 4.033 -3.174 -4.695) 6.956 8.525 ( 0.354 1.840 -0.916) 2.086 8.579 ( -0.959 3.011 -3.019) 4.371 8.630 ( 0.888 0.241 0.335) 0.980 8.750 ( -0.601 -0.304 -1.815) 1.936 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 1.051 13.461 6.332) 14.913 1.518 ( 1.054 13.053 8.332) 15.522 1.628 ( 0.975 -7.590 2.812) 8.153 1.783 ( 1.275 -11.067 4.820) 12.139 1.926 ( 2.464 4.771 -4.442) 6.969 1.946 ( 0.619 1.713 -7.376) 7.598 2.040 ( -1.189 4.021 -2.872) 5.082 2.158 ( -0.003 -3.977 -4.281) 5.843 2.270 ( 2.489 2.535 1.939) 4.047 2.370 ( 2.893 -5.405 -1.052) 6.220 2.509 ( -2.525 4.452 3.417) 6.154 2.636 ( -2.451 -7.760 0.690) 8.167 2.768 ( -0.011 0.446 -0.781) 0.899 2.793 ( 0.139 -0.863 4.730) 4.810 2.876 ( -3.941 5.252 -0.184) 6.569 2.901 ( -1.511 1.510 -4.120) 4.641 3.005 ( 0.217 6.242 3.463) 7.141 3.083 ( -1.826 0.591 -0.626) 2.019 3.147 ( -1.133 -1.629 -0.906) 2.182 3.232 ( -0.609 -7.085 -0.672) 7.143 3.387 ( -0.215 1.665 -0.095) 1.682 3.436 ( -0.133 -3.563 -1.528) 3.879 3.627 ( 1.004 4.252 2.834) 5.207 3.728 ( 3.194 -5.375 -1.698) 6.478 3.849 ( 0.910 2.878 0.896) 3.149 3.918 ( -0.154 -4.711 2.039) 5.135 4.079 ( -1.970 4.318 2.743) 5.482 4.168 ( -0.117 -4.654 0.794) 4.723 4.450 ( -0.034 1.972 -0.929) 2.180 4.478 ( -0.033 -0.987 -1.621) 1.898 4.580 ( 0.796 3.758 -0.016) 3.841 4.639 ( 1.571 -2.396 -1.647) 3.305 4.815 ( -0.440 0.262 0.126) 0.528 4.825 ( 0.139 -0.598 -0.350) 0.707 5.010 ( 0.091 1.146 1.923) 2.241 5.020 ( -0.163 0.085 1.700) 1.709 6.441 ( -0.213 1.300 7.704) 7.815 6.460 ( 0.294 -0.569 7.615) 7.642 6.911 ( 0.238 3.583 -7.581) 8.389 6.954 ( 0.118 -1.103 -8.020) 8.097 7.578 ( 0.133 0.041 9.548) 9.549 7.596 ( -0.492 -1.637 8.425) 8.596 8.094 ( -0.615 2.557 -6.329) 6.854 8.154 ( -0.157 -3.925 -6.279) 7.406 8.564 ( 0.383 1.417 -0.297) 1.498 8.581 ( -0.047 -0.018 -0.168) 0.176 8.675 ( 0.011 1.524 -2.734) 3.130 8.705 ( -1.487 -1.379 -2.761) 3.425 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 5.962 12.195 5.697) 14.721 1.601 ( 5.506 13.308 7.680) 16.322 1.670 ( 2.842 -6.262 1.995) 7.160 1.829 ( 2.044 -6.540 1.996) 7.137 1.952 ( 0.939 -0.256 -5.253) 5.343 1.959 ( 1.501 -2.392 -4.616) 5.412 2.061 ( 4.079 7.135 -0.409) 8.229 2.183 ( 2.596 -4.480 -3.986) 6.534 2.286 ( -1.444 1.783 0.945) 2.481 2.359 ( -3.052 -5.147 -1.468) 6.162 2.498 ( 0.162 4.021 3.623) 5.415 2.590 ( -1.305 -4.151 -2.670) 5.105 2.721 ( -4.366 3.139 0.229) 5.382 2.785 ( -1.685 -0.915 3.332) 3.844 2.838 ( -1.310 -1.177 -1.397) 2.248 2.849 ( -1.600 -0.322 -1.572) 2.266 3.045 ( 1.188 2.411 1.458) 3.058 3.068 ( 1.631 1.929 2.368) 3.463 3.137 ( 0.828 0.188 0.209) 0.874 3.259 ( 2.983 -7.674 -0.427) 8.245 3.392 ( 1.041 3.279 -0.949) 3.569 3.448 ( 1.554 -2.335 -1.258) 3.074 3.673 ( 3.174 6.219 2.762) 7.509 3.802 ( 4.413 -5.268 -1.995) 7.156 3.873 ( 1.244 2.203 0.275) 2.545 3.929 ( 0.917 -3.994 1.478) 4.356 4.040 ( -2.401 4.952 3.493) 6.519 4.160 ( -0.767 -6.499 1.245) 6.661 4.438 ( -1.321 2.005 -0.350) 2.427 4.465 ( -1.197 -0.859 -1.053) 1.811 4.587 ( 0.202 4.539 -0.956) 4.643 4.658 ( 0.774 -2.845 -2.257) 3.713 4.811 ( -0.014 0.601 0.323) 0.682 4.829 ( 0.244 -1.064 -0.054) 1.093 5.008 ( -0.563 0.763 1.616) 1.873 5.013 ( -0.802 0.292 1.552) 1.771 6.448 ( -0.404 1.653 7.755) 7.939 6.474 ( -0.142 -0.960 7.235) 7.299 6.886 ( -1.444 3.745 -7.203) 8.246 6.931 ( -1.084 -1.205 -7.602) 7.773 7.584 ( -1.349 -0.156 10.456) 10.544 7.596 ( -0.667 -1.219 8.011) 8.131 8.057 ( -1.992 2.557 -6.149) 6.952 8.120 ( -2.077 -4.316 -5.874) 7.580 8.553 ( -1.356 1.939 -1.056) 2.591 8.582 ( -0.374 -0.920 -0.523) 1.123 8.665 ( -0.459 1.017 -2.048) 2.332 8.689 ( 0.697 -1.274 -1.564) 2.135 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 6.468 8.716 4.161) 11.624 1.725 ( 3.444 2.137 1.857) 4.458 1.741 ( 5.816 7.372 3.680) 10.086 1.852 ( 0.845 2.218 -2.443) 3.406 1.951 ( 0.603 -0.927 -1.607) 1.951 2.021 ( 4.018 -9.615 1.016) 10.470 2.154 ( 3.970 2.215 0.503) 4.574 2.191 ( -2.463 -3.756 -0.137) 4.493 2.266 ( 0.889 0.680 -1.502) 1.873 2.295 ( -2.354 -4.368 1.563) 5.202 2.496 ( -0.987 4.429 1.132) 4.676 2.569 ( -0.252 0.087 -4.450) 4.458 2.636 ( -3.738 -0.080 -2.290) 4.384 2.711 ( -4.820 -5.617 -2.122) 7.699 2.832 ( 1.494 1.335 -2.318) 3.064 2.849 ( 0.263 -1.831 0.438) 1.901 3.049 ( -0.007 2.587 2.245) 3.426 3.117 ( 1.922 -2.911 2.599) 4.350 3.205 ( 5.207 5.098 1.547) 7.450 3.324 ( 3.046 -6.483 -0.392) 7.174 3.436 ( 3.845 4.575 -1.275) 6.110 3.495 ( 3.519 -1.252 -0.521) 3.771 3.755 ( 4.546 7.046 2.278) 8.689 3.871 ( 1.537 -1.646 -2.157) 3.118 3.893 ( 1.039 1.424 0.522) 1.839 3.961 ( 2.115 -4.054 0.938) 4.668 4.001 ( -1.800 3.035 3.758) 5.155 4.141 ( -1.500 -7.661 1.726) 7.995 4.393 ( -3.239 2.110 1.163) 4.036 4.424 ( -2.880 -1.161 0.194) 3.111 4.590 ( 0.351 4.888 -2.134) 5.345 4.662 ( -0.026 -2.583 -2.648) 3.699 4.815 ( 0.281 0.468 0.366) 0.657 4.834 ( 0.313 -1.445 -0.027) 1.479 4.992 ( -1.154 0.720 0.984) 1.679 4.999 ( -0.876 -0.035 1.141) 1.439 6.449 ( -0.697 1.734 7.609) 7.835 6.476 ( -0.776 -0.946 6.669) 6.781 6.840 ( -1.967 4.098 -5.811) 7.378 6.894 ( -1.328 -1.846 -6.460) 6.848 7.563 ( -2.145 0.812 9.269) 9.548 7.590 ( -1.250 -1.997 7.955) 8.297 8.006 ( -1.972 2.289 -5.501) 6.276 8.065 ( -2.384 -4.071 -5.154) 6.987 8.522 ( -1.281 1.889 -0.656) 2.374 8.559 ( -1.360 -1.900 -0.621) 2.417 8.669 ( 0.731 2.090 -1.690) 2.785 8.706 ( 0.964 -1.858 -1.769) 2.741 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.344 4.062 0.246) 4.084 1.741 ( -1.282 -0.850 -1.546) 2.181 1.856 ( 3.260 7.711 1.444) 8.495 1.899 ( 5.068 7.524 3.228) 9.629 1.978 ( 1.703 -0.579 0.211) 1.812 2.076 ( 0.474 -4.778 4.123) 6.329 2.118 ( -3.945 -2.241 3.124) 5.509 2.196 ( 0.383 -7.480 -0.961) 7.551 2.281 ( -0.000 0.185 5.002) 5.006 2.312 ( 3.271 -0.635 -1.174) 3.533 2.465 ( -1.924 2.140 1.304) 3.159 2.560 ( -2.715 -6.800 0.732) 7.359 2.588 ( 1.577 3.371 -8.122) 8.934 2.638 ( -0.670 -2.467 -6.199) 6.706 2.841 ( 0.026 -0.003 -1.966) 1.966 2.876 ( 2.176 -2.729 -4.424) 5.635 3.066 ( 1.713 5.178 2.489) 5.996 3.156 ( 1.673 -3.409 1.057) 3.942 3.299 ( 3.642 4.100 -0.209) 5.488 3.366 ( 1.496 -2.800 -1.247) 3.411 3.532 ( 5.239 3.629 0.911) 6.438 3.584 ( 5.162 -0.917 0.333) 5.253 3.825 ( -0.300 5.631 -0.051) 5.639 3.864 ( -0.403 -0.164 -0.050) 0.438 3.899 ( 0.343 4.349 3.830) 5.806 3.961 ( -1.249 6.004 0.671) 6.169 4.034 ( 2.585 -8.318 0.890) 8.756 4.103 ( -2.552 -7.183 1.379) 7.746 4.336 ( -2.010 0.800 3.043) 3.734 4.363 ( -3.129 -1.578 2.220) 4.148 4.591 ( -0.022 4.303 -2.740) 5.102 4.647 ( -1.108 -1.580 -2.469) 3.134 4.823 ( 0.472 0.212 0.122) 0.532 4.842 ( 0.519 -1.714 -0.589) 1.885 4.972 ( -0.859 0.677 0.580) 1.238 4.983 ( -0.833 -0.422 0.614) 1.117 6.445 ( -0.956 1.598 7.451) 7.680 6.466 ( -1.176 -0.591 6.244) 6.381 6.801 ( -1.020 4.357 -4.431) 6.298 6.866 ( -0.524 -2.611 -5.305) 5.936 7.534 ( -2.058 1.541 8.136) 8.532 7.573 ( -1.645 -2.457 7.032) 7.629 7.971 ( -0.602 1.900 -4.739) 5.141 8.019 ( -1.324 -3.214 -4.582) 5.751 8.508 ( -0.022 1.858 0.367) 1.894 8.544 ( 0.100 -1.916 0.156) 1.925 8.675 ( 0.045 2.268 -2.248) 3.194 8.716 ( 0.376 -2.118 -2.864) 3.582 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -3.196 3.227 0.336) 4.554 1.689 ( -3.210 0.880 -0.163) 3.332 1.877 ( -1.010 4.223 2.336) 4.931 1.967 ( -3.608 -0.418 -0.265) 3.642 2.001 ( 3.187 3.966 2.519) 5.678 2.067 ( -1.442 -0.035 3.504) 3.789 2.083 ( 0.356 -0.780 3.532) 3.635 2.177 ( -1.811 -6.543 -0.091) 6.789 2.298 ( 0.344 1.219 4.870) 5.032 2.348 ( -0.613 -3.068 -0.623) 3.190 2.442 ( 0.437 -0.064 0.806) 0.919 2.514 ( -0.953 -5.948 2.878) 6.676 2.642 ( 4.084 1.817 -7.934) 9.107 2.664 ( 3.682 -0.349 -7.356) 8.234 2.849 ( 1.525 0.084 -2.324) 2.781 2.897 ( 0.773 -4.475 -4.947) 6.715 3.122 ( 3.242 4.727 0.150) 5.734 3.179 ( 0.632 -1.300 -1.381) 1.999 3.346 ( 1.517 3.031 -1.129) 3.573 3.381 ( 0.201 -0.720 -1.396) 1.583 3.599 ( -0.046 3.693 2.100) 4.249 3.650 ( -0.803 -0.747 0.699) 1.300 3.756 ( -3.715 7.014 2.821) 8.424 3.851 ( -0.588 -3.261 -0.312) 3.328 3.910 ( -1.714 1.978 2.167) 3.398 3.976 ( 3.181 6.236 1.297) 7.120 4.004 ( -3.971 -5.192 1.637) 6.739 4.101 ( 1.360 -4.859 -0.009) 5.045 4.326 ( -0.369 -0.322 3.660) 3.692 4.347 ( 2.088 -2.407 3.956) 5.080 4.575 ( -1.178 3.046 -2.751) 4.270 4.613 ( -1.842 -0.984 -2.395) 3.177 4.832 ( 0.453 0.311 -0.379) 0.668 4.851 ( 0.431 -1.527 -0.973) 1.861 4.965 ( 0.070 0.291 0.520) 0.600 4.971 ( -0.325 -0.388 0.360) 0.622 6.436 ( -1.101 1.453 7.373) 7.595 6.452 ( -1.188 -0.235 6.186) 6.304 6.791 ( 0.775 4.462 -3.889) 5.970 6.861 ( 0.876 -2.958 -4.802) 5.707 7.514 ( -1.206 1.752 7.446) 7.743 7.553 ( -1.265 -2.403 6.267) 6.830 7.972 ( 1.451 1.301 -4.089) 4.530 8.004 ( 0.531 -2.015 -4.238) 4.723 8.523 ( 1.330 2.192 1.130) 2.802 8.563 ( 1.544 -1.937 0.838) 2.615 8.663 ( -0.691 2.626 -3.012) 4.055 8.712 ( -0.085 -2.588 -3.985) 4.752 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -4.843 5.886 2.395) 7.990 1.630 ( -2.765 2.204 2.104) 4.115 1.836 ( -3.980 1.784 1.771) 4.707 1.868 ( -5.187 1.132 2.086) 5.704 2.002 ( -2.202 1.507 0.066) 2.669 2.044 ( -2.787 -4.222 -0.176) 5.062 2.097 ( 1.445 0.876 1.919) 2.557 2.159 ( -0.407 -4.301 1.460) 4.560 2.288 ( -2.249 -0.080 2.793) 3.587 2.313 ( -1.124 -2.644 -1.026) 3.051 2.483 ( 2.064 -0.060 1.075) 2.327 2.523 ( 1.535 -3.763 2.931) 5.011 2.698 ( 2.857 2.690 -7.242) 8.237 2.733 ( 3.781 -0.239 -6.430) 7.463 2.898 ( 2.128 -2.158 -2.080) 3.676 2.907 ( 2.536 -3.228 -3.196) 5.202 3.164 ( -0.310 2.556 -1.262) 2.867 3.182 ( 0.890 0.856 -1.703) 2.103 3.351 ( -2.971 4.374 -0.203) 5.292 3.368 ( -0.024 1.261 -0.784) 1.485 3.505 ( -7.087 6.233 1.021) 9.493 3.591 ( -3.621 -0.847 1.813) 4.137 3.708 ( -3.009 2.264 1.665) 4.117 3.808 ( -4.824 -8.008 3.137) 9.861 3.869 ( -1.758 3.574 1.317) 4.195 3.961 ( -0.523 -4.895 1.059) 5.036 4.058 ( 4.074 3.779 0.122) 5.558 4.121 ( 0.579 -2.191 1.286) 2.605 4.356 ( 2.649 2.460 3.901) 5.318 4.416 ( 3.786 -3.349 2.741) 5.750 4.542 ( -1.460 2.073 -2.734) 3.729 4.574 ( -1.555 -1.239 -2.766) 3.406 4.836 ( 0.027 0.514 -0.831) 0.977 4.853 ( -0.130 -1.136 -0.593) 1.288 4.972 ( 0.338 0.188 0.556) 0.677 4.976 ( 0.881 -0.198 0.683) 1.133 6.427 ( -0.893 1.307 7.415) 7.582 6.440 ( -0.978 -0.061 6.432) 6.506 6.817 ( 2.341 4.399 -4.359) 6.621 6.883 ( 2.092 -2.695 -5.196) 6.216 7.513 ( -0.069 1.400 7.377) 7.509 7.547 ( -0.289 -2.119 6.201) 6.560 8.012 ( 3.103 0.462 -3.803) 4.929 8.025 ( 2.304 -0.845 -4.270) 4.925 8.554 ( 1.266 2.425 1.031) 2.924 8.596 ( 1.276 -1.852 0.547) 2.315 8.646 ( -0.164 3.207 -3.409) 4.683 8.707 ( 0.414 -3.007 -4.297) 5.261 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -5.002 9.912 4.716) 12.062 1.590 ( -1.971 6.037 4.433) 7.744 1.710 ( -7.344 -1.226 2.450) 7.838 1.811 ( -2.119 -2.378 1.213) 3.409 1.953 ( -2.347 1.846 -2.534) 3.916 1.980 ( -2.885 -2.447 -0.610) 3.832 2.109 ( -0.648 -0.100 -0.992) 1.189 2.175 ( 2.070 -5.675 0.428) 6.055 2.240 ( -2.670 1.734 2.600) 4.110 2.288 ( -1.215 -2.644 -2.146) 3.616 2.522 ( 1.806 0.809 2.760) 3.397 2.573 ( 2.734 -3.600 2.138) 5.001 2.737 ( 2.212 1.803 -6.180) 6.807 2.776 ( 1.483 -1.224 -4.413) 4.814 2.919 ( 1.097 0.281 -2.922) 3.134 2.962 ( 1.635 -3.879 -1.355) 4.422 3.128 ( -2.263 4.602 -0.969) 5.219 3.182 ( -1.631 1.398 0.652) 2.245 3.230 ( -7.494 9.944 4.036) 13.089 3.355 ( -1.934 -0.740 -1.493) 2.553 3.418 ( -2.025 2.974 -1.192) 3.791 3.520 ( -3.542 -4.836 -0.232) 5.999 3.654 ( -2.313 0.464 1.547) 2.821 3.715 ( -3.916 -7.330 3.152) 8.888 3.849 ( -0.856 4.693 0.907) 4.855 3.948 ( -1.093 -5.494 1.558) 5.814 4.112 ( 0.732 1.369 1.154) 1.934 4.137 ( 1.274 -1.088 1.309) 2.126 4.421 ( 2.673 3.696 1.773) 4.893 4.476 ( 1.134 -1.817 0.731) 2.263 4.525 ( 0.501 1.616 -1.374) 2.180 4.560 ( 1.230 -2.130 -2.735) 3.678 4.832 ( -0.308 0.473 -0.814) 0.990 4.844 ( -0.682 -0.839 -0.165) 1.094 4.984 ( 0.690 0.889 1.086) 1.564 4.996 ( 0.958 -0.335 1.055) 1.464 6.426 ( -0.385 0.995 7.582) 7.656 6.435 ( -0.571 0.094 6.849) 6.874 6.861 ( 2.789 4.150 -5.518) 7.446 6.920 ( 2.390 -2.096 -6.268) 7.028 7.531 ( 0.556 0.899 7.696) 7.768 7.561 ( 0.556 -2.097 6.885) 7.218 8.063 ( 2.607 0.765 -4.692) 5.422 8.082 ( 3.788 -1.232 -4.420) 5.950 8.564 ( -0.228 2.170 -0.309) 2.203 8.602 ( -0.540 -1.885 -0.569) 2.042 8.656 ( 1.432 3.869 -3.044) 5.127 8.719 ( 1.200 -2.737 -3.275) 4.433 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -3.231 12.663 6.159) 14.447 1.541 ( -4.011 14.618 7.523) 16.922 1.622 ( -1.227 -9.234 2.142) 9.559 1.778 ( -1.293 -8.433 3.093) 9.075 1.913 ( -0.725 3.108 -2.976) 4.364 1.948 ( -0.109 1.015 -5.215) 5.314 2.081 ( -1.839 2.567 -3.268) 4.544 2.189 ( -1.582 -4.813 -3.850) 6.363 2.221 ( 1.258 1.422 3.020) 3.567 2.297 ( 3.023 -3.187 0.731) 4.453 2.545 ( -0.611 2.486 2.947) 3.904 2.632 ( 2.445 -5.176 2.321) 6.177 2.761 ( 1.050 -0.052 -3.835) 3.977 2.784 ( 0.054 -1.360 -0.728) 1.543 2.918 ( -0.672 0.976 -3.001) 3.227 2.952 ( -2.074 -0.829 -1.430) 2.652 3.060 ( -5.923 13.836 5.142) 15.905 3.112 ( -1.458 3.404 -0.206) 3.709 3.171 ( -1.191 -2.418 -0.141) 2.699 3.287 ( -4.066 -4.860 -1.391) 6.487 3.396 ( -0.591 2.003 -0.481) 2.143 3.461 ( -2.171 -5.059 -1.184) 5.631 3.624 ( -1.065 1.260 3.060) 3.476 3.688 ( 0.829 -5.334 -0.731) 5.448 3.840 ( -0.144 3.958 1.225) 4.146 3.928 ( -1.085 -5.516 2.086) 5.996 4.106 ( -1.153 2.950 2.160) 3.834 4.161 ( 0.733 -2.815 0.737) 3.001 4.448 ( 0.399 2.407 -0.593) 2.511 4.479 ( 0.032 -0.975 -1.492) 1.783 4.553 ( 1.841 2.763 0.306) 3.335 4.601 ( 2.460 -2.235 -1.539) 3.663 4.825 ( -0.197 0.044 -0.594) 0.627 4.828 ( -0.751 -0.366 0.009) 0.836 5.000 ( 0.587 1.240 1.680) 2.169 5.014 ( 0.548 -0.176 1.484) 1.592 6.433 ( -0.223 0.891 7.533) 7.588 6.442 ( 0.134 -0.012 7.522) 7.523 6.900 ( 1.961 3.793 -6.808) 8.036 6.949 ( 1.574 -1.488 -7.438) 7.747 7.555 ( 0.585 0.568 8.438) 8.477 7.584 ( 0.376 -2.192 7.833) 8.142 8.096 ( 1.372 1.905 -5.726) 6.188 8.140 ( 2.522 -2.779 -5.536) 6.688 8.558 ( 0.007 1.769 -0.503) 1.839 8.587 ( -0.593 -1.180 -0.372) 1.372 8.675 ( 0.710 3.368 -3.197) 4.698 8.727 ( -0.104 -2.114 -2.974) 3.650 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -2.561 0.000 17.825) 18.008 1.217 ( -0.335 0.000 15.626) 15.630 1.469 ( 2.085 0.000 -9.792) 10.011 1.520 ( 1.643 0.000 -13.385) 13.485 1.841 ( 1.608 0.000 0.742) 1.771 1.856 ( -0.551 0.000 2.987) 3.038 2.122 ( -0.913 0.000 7.125) 7.183 2.223 ( 0.502 0.000 -1.866) 1.932 2.396 ( 2.339 0.000 -0.680) 2.435 2.420 ( -1.434 0.000 -2.509) 2.890 2.532 ( -5.237 0.000 7.898) 9.477 2.640 ( 4.327 0.000 -3.194) 5.378 2.698 ( -1.853 0.000 2.100) 2.801 2.755 ( 0.882 0.000 -2.329) 2.491 2.897 ( 3.129 0.000 2.016) 3.722 2.992 ( -2.448 0.000 -6.335) 6.791 3.114 ( -2.842 0.000 2.197) 3.592 3.147 ( -0.027 0.000 -2.596) 2.596 3.169 ( 2.866 0.000 3.315) 4.382 3.250 ( 0.156 0.000 -4.537) 4.539 3.512 ( 3.889 0.000 1.410) 4.137 3.549 ( -3.836 0.000 -2.510) 4.584 3.643 ( -3.643 0.000 3.275) 4.899 3.714 ( 3.805 0.000 -3.830) 5.399 3.724 ( -0.000 0.000 9.582) 9.582 3.842 ( -2.259 0.000 -2.470) 3.347 4.201 ( 1.562 0.000 0.333) 1.597 4.260 ( 0.494 0.000 -4.439) 4.467 4.397 ( -0.783 0.000 0.495) 0.927 4.429 ( 0.504 0.000 -3.739) 3.773 4.501 ( -1.442 0.000 2.481) 2.870 4.552 ( 1.630 0.000 -2.814) 3.252 4.867 ( -0.585 0.000 2.526) 2.593 4.904 ( 0.288 0.000 1.607) 1.633 4.904 ( 0.665 0.000 -1.622) 1.754 4.939 ( -0.101 0.000 -1.807) 1.809 6.531 ( 0.526 0.000 2.330) 2.389 6.550 ( -0.158 0.000 0.119) 0.198 6.599 ( -0.240 0.000 9.806) 9.809 6.786 ( 0.275 0.000 -8.986) 8.990 7.754 ( 0.603 0.000 7.252) 7.277 7.898 ( -0.741 0.000 -7.307) 7.345 8.012 ( -0.973 0.000 15.920) 15.950 8.256 ( 1.499 0.000 -8.572) 8.702 8.473 ( 1.638 0.000 -0.082) 1.640 8.479 ( -0.821 0.000 -0.777) 1.130 8.701 ( 2.139 0.000 1.437) 2.576 8.718 ( -2.036 0.000 -0.355) 2.067 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 2.983 0.000 10.991) 11.389 1.261 ( 3.100 0.000 11.567) 11.976 1.544 ( 5.547 0.000 -7.186) 9.078 1.564 ( 3.744 0.000 -10.502) 11.150 1.885 ( 3.521 0.000 -1.942) 4.021 1.903 ( 4.982 0.000 0.670) 5.027 2.192 ( 6.256 0.000 8.891) 10.871 2.277 ( 4.652 0.000 -1.201) 4.805 2.365 ( -2.851 0.000 -4.372) 5.219 2.393 ( -3.739 0.000 3.372) 5.035 2.468 ( -1.535 0.000 0.860) 1.760 2.664 ( -1.453 0.000 4.418) 4.651 2.680 ( -1.830 0.000 2.428) 3.041 2.787 ( 3.075 0.000 -1.516) 3.428 2.959 ( 1.649 0.000 -9.987) 10.122 2.959 ( 2.756 0.000 2.854) 3.968 3.085 ( -0.608 0.000 2.833) 2.898 3.130 ( -1.450 0.000 -1.175) 1.866 3.225 ( 2.095 0.000 2.410) 3.194 3.261 ( 0.728 0.000 -4.674) 4.730 3.467 ( -4.811 0.000 -2.157) 5.272 3.537 ( -4.579 0.000 4.491) 6.414 3.597 ( 4.650 0.000 1.521) 4.893 3.721 ( -2.072 0.000 -4.919) 5.338 3.789 ( 3.465 0.000 8.058) 8.771 3.844 ( 1.818 0.000 -0.228) 1.833 4.227 ( 1.245 0.000 -0.687) 1.422 4.256 ( 0.019 0.000 -5.767) 5.767 4.370 ( -2.000 0.000 0.292) 2.021 4.413 ( -1.651 0.000 -2.594) 3.074 4.476 ( -1.330 0.000 1.722) 2.175 4.574 ( 0.994 0.000 -2.860) 3.028 4.867 ( 0.226 0.000 1.891) 1.905 4.909 ( -0.013 0.000 -1.222) 1.222 4.916 ( 0.638 0.000 1.732) 1.845 4.945 ( 1.029 0.000 -2.246) 2.470 6.539 ( -0.120 0.000 1.833) 1.837 6.546 ( -0.201 0.000 -0.599) 0.631 6.602 ( -1.080 0.000 9.866) 9.925 6.771 ( -0.239 0.000 -9.191) 9.194 7.766 ( -0.583 0.000 7.432) 7.455 7.865 ( -1.261 0.000 -7.130) 7.241 7.986 ( -3.996 0.000 14.367) 14.912 8.227 ( -2.804 0.000 -9.953) 10.340 8.465 ( -0.341 0.000 -1.102) 1.153 8.509 ( 1.974 0.000 -0.864) 2.155 8.672 ( -2.370 0.000 -0.341) 2.395 8.738 ( 1.203 0.000 0.835) 1.464 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 10.011 0.000 2.357) 10.285 1.385 ( 7.545 0.000 7.965) 10.972 1.606 ( 2.124 0.000 -6.893) 7.213 1.623 ( 2.923 0.000 -2.358) 3.755 1.991 ( 7.274 0.000 -4.051) 8.326 2.034 ( 7.524 0.000 0.030) 7.524 2.291 ( -4.448 0.000 2.627) 5.166 2.295 ( -2.582 0.000 -2.097) 3.327 2.354 ( 5.769 0.000 5.385) 7.892 2.394 ( 5.678 0.000 -0.363) 5.690 2.439 ( -1.178 0.000 -2.917) 3.146 2.590 ( -6.258 0.000 2.914) 6.903 2.685 ( 2.978 0.000 7.376) 7.954 2.830 ( 0.906 0.000 0.121) 0.914 3.018 ( 2.816 0.000 4.525) 5.330 3.047 ( 7.317 0.000 -9.114) 11.688 3.081 ( -0.678 0.000 1.703) 1.833 3.089 ( -2.829 0.000 0.012) 2.829 3.203 ( -5.433 0.000 -0.105) 5.434 3.246 ( -0.558 0.000 1.718) 1.807 3.413 ( 0.681 0.000 -2.103) 2.210 3.493 ( -0.942 0.000 0.591) 1.113 3.648 ( -2.202 0.000 -2.669) 3.460 3.694 ( 1.522 0.000 -0.247) 1.542 3.870 ( 3.416 0.000 7.712) 8.434 3.871 ( 1.676 0.000 -0.376) 1.718 4.248 ( 0.160 0.000 -4.868) 4.871 4.249 ( 1.234 0.000 -1.943) 2.302 4.320 ( -3.137 0.000 -0.075) 3.138 4.361 ( -2.910 0.000 -2.955) 4.147 4.457 ( -0.838 0.000 1.486) 1.706 4.579 ( -0.039 0.000 -3.309) 3.309 4.878 ( 0.553 0.000 1.019) 1.159 4.905 ( -0.186 0.000 -0.589) 0.618 4.933 ( 0.813 0.000 1.740) 1.921 4.965 ( 1.231 0.000 -2.033) 2.377 6.530 ( -1.048 0.000 1.677) 1.977 6.541 ( -0.203 0.000 -1.438) 1.452 6.591 ( -1.566 0.000 10.057) 10.178 6.752 ( 0.013 0.000 -9.332) 9.332 7.753 ( -1.956 0.000 8.049) 8.283 7.833 ( -0.732 0.000 -6.754) 6.793 7.908 ( -5.727 0.000 10.955) 12.362 8.127 ( -5.290 0.000 -10.885) 12.102 8.465 ( 0.436 0.000 -0.286) 0.522 8.542 ( 1.482 0.000 -1.631) 2.204 8.634 ( -1.341 0.000 0.360) 1.388 8.746 ( -0.328 0.000 -0.363) 0.489 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 4.031 0.000 4.964) 6.394 1.577 ( 7.904 0.000 -3.624) 8.695 1.668 ( 6.145 0.000 -2.745) 6.730 1.668 ( 3.777 0.000 2.007) 4.277 2.073 ( -1.281 0.000 2.911) 3.181 2.144 ( 0.674 0.000 0.869) 1.100 2.247 ( -0.069 0.000 -2.978) 2.979 2.261 ( 3.759 0.000 -3.794) 5.341 2.368 ( -2.261 0.000 -0.010) 2.261 2.405 ( -5.157 0.000 3.184) 6.061 2.508 ( 6.754 0.000 -3.701) 7.702 2.592 ( 7.365 0.000 1.772) 7.575 2.780 ( 4.075 0.000 5.739) 7.038 2.787 ( -6.693 0.000 -0.288) 6.699 3.026 ( -3.290 0.000 -1.162) 3.489 3.028 ( -1.884 0.000 3.498) 3.973 3.076 ( -1.532 0.000 -1.251) 1.978 3.112 ( 4.261 0.000 7.541) 8.662 3.210 ( -2.990 0.000 0.866) 3.113 3.231 ( 5.981 0.000 -2.260) 6.394 3.442 ( 1.708 0.000 0.360) 1.746 3.501 ( 2.626 0.000 -5.533) 6.125 3.568 ( -6.800 0.000 -0.052) 6.800 3.657 ( -3.453 0.000 -1.189) 3.652 3.941 ( 2.296 0.000 8.000) 8.323 3.952 ( 5.985 0.000 -1.364) 6.138 4.242 ( -1.210 0.000 1.768) 2.142 4.246 ( -4.380 0.000 0.956) 4.483 4.272 ( 1.541 0.000 -4.426) 4.686 4.308 ( -0.832 0.000 -8.914) 8.952 4.449 ( -0.240 0.000 2.270) 2.283 4.562 ( -0.974 0.000 -3.986) 4.103 4.890 ( 0.532 0.000 0.354) 0.639 4.901 ( -0.171 0.000 -0.083) 0.190 4.950 ( 0.544 0.000 1.770) 1.852 4.982 ( 0.689 0.000 -1.504) 1.654 6.507 ( -1.477 0.000 2.217) 2.664 6.534 ( -0.145 0.000 -1.938) 1.943 6.574 ( -1.673 0.000 10.124) 10.261 6.746 ( 0.819 0.000 -9.402) 9.437 7.722 ( -2.361 0.000 9.712) 9.995 7.813 ( -4.977 0.000 7.346) 8.874 7.822 ( 0.826 0.000 -6.285) 6.339 8.007 ( -4.686 0.000 -10.872) 11.839 8.479 ( 0.871 0.000 1.248) 1.521 8.557 ( 0.189 0.000 -1.927) 1.936 8.626 ( 0.450 0.000 1.124) 1.210 8.727 ( -1.243 0.000 -2.026) 2.377 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -0.295 0.000 2.502) 2.520 1.605 ( -1.427 0.000 -0.879) 1.676 1.754 ( -1.335 0.000 2.048) 2.445 1.761 ( 0.042 0.000 1.257) 1.257 2.063 ( 3.256 0.000 2.591) 4.161 2.078 ( -1.649 0.000 0.451) 1.710 2.279 ( -3.715 0.000 1.919) 4.181 2.282 ( -2.624 0.000 -1.404) 2.976 2.336 ( 1.975 0.000 -1.706) 2.610 2.391 ( 4.894 0.000 -4.646) 6.748 2.608 ( -9.203 0.000 1.056) 9.263 2.650 ( 7.337 0.000 -2.711) 7.822 2.759 ( 8.006 0.000 1.438) 8.134 2.793 ( -3.529 0.000 -1.860) 3.989 2.976 ( -0.402 0.000 2.697) 2.727 2.996 ( -2.402 0.000 0.925) 2.573 3.104 ( 3.830 0.000 1.941) 4.294 3.142 ( -3.450 0.000 -1.206) 3.654 3.220 ( 4.599 0.000 8.012) 9.238 3.292 ( 0.428 0.000 -1.295) 1.364 3.365 ( -12.808 0.000 4.466) 13.565 3.471 ( 0.820 0.000 5.227) 5.291 3.594 ( 7.523 0.000 -9.743) 12.309 3.613 ( -1.164 0.000 -4.219) 4.376 3.975 ( -0.374 0.000 6.224) 6.235 4.051 ( 3.361 0.000 -2.600) 4.250 4.156 ( -4.708 0.000 3.347) 5.777 4.208 ( -1.533 0.000 3.812) 4.108 4.300 ( 2.080 0.000 -5.411) 5.797 4.309 ( 1.833 0.000 -10.350) 10.511 4.457 ( 0.662 0.000 3.283) 3.349 4.534 ( -1.111 0.000 -4.282) 4.424 4.897 ( -0.232 0.000 0.173) 0.289 4.898 ( 0.251 0.000 0.066) 0.259 4.956 ( -0.250 0.000 1.938) 1.954 4.986 ( -0.027 0.000 -1.168) 1.168 6.486 ( -0.945 0.000 2.999) 3.145 6.531 ( 0.168 0.000 -1.731) 1.739 6.559 ( -1.414 0.000 10.184) 10.282 6.753 ( 1.367 0.000 -9.435) 9.534 7.704 ( -1.067 0.000 10.844) 10.896 7.750 ( -2.105 0.000 6.294) 6.637 7.852 ( 3.418 0.000 -5.826) 6.755 7.924 ( -1.848 0.000 -9.873) 10.044 8.498 ( 0.587 0.000 2.555) 2.622 8.541 ( -1.450 0.000 -1.507) 2.092 8.653 ( 2.005 0.000 1.337) 2.410 8.698 ( -1.242 0.000 -3.681) 3.885 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -8.225 0.000 4.532) 9.391 1.547 ( -5.953 0.000 6.390) 8.733 1.643 ( -6.119 0.000 -3.273) 6.939 1.705 ( -2.388 0.000 -1.534) 2.838 2.072 ( -7.282 0.000 2.648) 7.749 2.138 ( -0.258 0.000 2.927) 2.939 2.185 ( 2.120 0.000 2.626) 3.375 2.224 ( -1.281 0.000 -1.906) 2.297 2.395 ( 0.856 0.000 -0.344) 0.922 2.490 ( 5.358 0.000 -4.797) 7.191 2.492 ( -1.313 0.000 -3.716) 3.941 2.622 ( -6.986 0.000 -0.809) 7.033 2.802 ( 2.356 0.000 -1.896) 3.024 2.850 ( -0.413 0.000 -1.996) 2.039 2.974 ( -3.581 0.000 9.315) 9.980 2.987 ( 2.660 0.000 2.896) 3.932 3.108 ( -0.214 0.000 -2.968) 2.975 3.133 ( -6.452 0.000 7.018) 9.533 3.178 ( 2.484 0.000 0.670) 2.573 3.273 ( -0.950 0.000 -4.268) 4.373 3.306 ( 2.234 0.000 2.461) 3.324 3.496 ( 0.813 0.000 7.474) 7.518 3.587 ( -0.582 0.000 -5.211) 5.243 3.724 ( 6.081 0.000 -6.930) 9.220 3.926 ( -5.067 0.000 1.355) 5.245 4.056 ( -1.702 0.000 -3.145) 3.576 4.102 ( -1.260 0.000 7.363) 7.470 4.215 ( 1.248 0.000 0.305) 1.285 4.335 ( 2.299 0.000 -7.509) 7.853 4.336 ( 2.354 0.000 -4.417) 5.005 4.484 ( 1.323 0.000 3.813) 4.035 4.511 ( -0.480 0.000 -3.908) 3.937 4.892 ( -0.224 0.000 0.137) 0.262 4.900 ( -0.111 0.000 0.132) 0.172 4.945 ( -1.203 0.000 2.273) 2.572 4.978 ( -0.565 0.000 -1.173) 1.302 6.482 ( -0.005 0.000 3.491) 3.491 6.536 ( 0.509 0.000 -0.906) 1.039 6.554 ( -0.736 0.000 10.114) 10.140 6.766 ( 1.432 0.000 -9.303) 9.412 7.699 ( -0.808 0.000 6.677) 6.725 7.775 ( 2.968 0.000 11.975) 12.337 7.900 ( 0.576 0.000 -8.447) 8.466 7.940 ( 6.378 0.000 -5.706) 8.558 8.503 ( -2.071 0.000 -1.007) 2.303 8.508 ( 0.046 0.000 2.663) 2.663 8.668 ( -1.091 0.000 -3.654) 3.813 8.700 ( 2.286 0.000 1.190) 2.577 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -8.098 0.000 6.724) 10.526 1.384 ( -9.732 0.000 10.112) 14.034 1.570 ( -2.131 0.000 -5.476) 5.876 1.656 ( -3.345 0.000 -5.022) 6.034 1.899 ( -7.284 0.000 4.316) 8.467 2.038 ( -7.735 0.000 2.347) 8.084 2.234 ( 0.338 0.000 2.314) 2.338 2.295 ( 6.344 0.000 0.918) 6.410 2.348 ( -4.169 0.000 2.077) 4.658 2.420 ( -7.577 0.000 -2.558) 7.997 2.523 ( 3.230 0.000 -7.827) 8.467 2.650 ( 5.802 0.000 -2.242) 6.220 2.779 ( -5.997 0.000 11.626) 13.082 2.794 ( -3.146 0.000 -3.074) 4.399 2.837 ( -5.807 0.000 4.661) 7.446 3.050 ( 1.856 0.000 1.050) 2.132 3.077 ( 0.717 0.000 1.057) 1.277 3.178 ( -1.227 0.000 -5.532) 5.666 3.207 ( 3.601 0.000 -0.501) 3.635 3.271 ( 0.617 0.000 -1.561) 1.678 3.330 ( 1.578 0.000 2.248) 2.746 3.535 ( 2.089 0.000 8.229) 8.491 3.587 ( 1.679 0.000 -5.471) 5.723 3.751 ( -3.671 0.000 -5.194) 6.361 3.844 ( -2.085 0.000 2.854) 3.535 3.997 ( -3.480 0.000 -5.083) 6.160 4.117 ( 1.505 0.000 4.916) 5.141 4.237 ( 0.937 0.000 -0.508) 1.066 4.374 ( 2.572 0.000 -5.900) 6.436 4.374 ( 1.925 0.000 -2.060) 2.820 4.506 ( 0.603 0.000 -3.371) 3.424 4.511 ( 0.683 0.000 3.618) 3.682 4.890 ( 0.035 0.000 -0.208) 0.211 4.896 ( -0.341 0.000 0.492) 0.599 4.919 ( -1.693 0.000 2.655) 3.149 4.963 ( -0.694 0.000 -1.373) 1.538 6.494 ( 0.621 0.000 3.379) 3.435 6.545 ( 0.442 0.000 -0.028) 0.443 6.563 ( 0.002 0.000 9.976) 9.976 6.779 ( 1.308 0.000 -9.050) 9.144 7.703 ( 0.257 0.000 6.394) 6.399 7.877 ( 4.576 0.000 13.961) 14.692 7.907 ( 1.201 0.000 -7.690) 7.783 8.073 ( 7.551 0.000 -5.942) 9.608 8.465 ( -1.412 0.000 -0.432) 1.476 8.508 ( -0.468 0.000 1.714) 1.776 8.649 ( -0.231 0.000 -1.448) 1.467 8.737 ( 1.212 0.000 0.769) 1.436 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -3.278 0.000 11.785) 12.232 1.254 ( -5.098 0.000 14.120) 15.013 1.507 ( -3.248 0.000 -6.762) 7.501 1.561 ( -3.792 0.000 -9.165) 9.919 1.831 ( -0.960 0.000 1.775) 2.018 1.905 ( -5.315 0.000 4.634) 7.052 2.188 ( -5.519 0.000 5.380) 7.708 2.264 ( -3.986 0.000 0.053) 3.987 2.349 ( 1.406 0.000 -2.698) 3.042 2.402 ( 3.676 0.000 0.249) 3.685 2.571 ( 3.218 0.000 -7.263) 7.944 2.637 ( -7.389 0.000 13.287) 15.203 2.716 ( 0.293 0.000 -0.781) 0.834 2.751 ( -0.506 0.000 -2.829) 2.874 2.834 ( 2.720 0.000 1.190) 2.969 3.046 ( -1.758 0.000 -3.157) 3.613 3.110 ( 2.225 0.000 2.189) 3.121 3.153 ( -0.208 0.000 -5.290) 5.294 3.184 ( -3.841 0.000 2.174) 4.414 3.266 ( -0.764 0.000 -2.034) 2.173 3.422 ( 5.377 0.000 1.683) 5.634 3.603 ( 3.174 0.000 7.557) 8.197 3.636 ( 3.999 0.000 -5.013) 6.413 3.643 ( -5.115 0.000 -3.358) 6.119 3.793 ( -4.461 0.000 4.744) 6.512 3.913 ( -3.981 0.000 -4.413) 5.944 4.163 ( 2.177 0.000 1.896) 2.887 4.252 ( 0.822 0.000 -2.136) 2.288 4.398 ( 0.622 0.000 -0.143) 0.639 4.411 ( 1.919 0.000 -4.851) 5.217 4.518 ( -0.565 0.000 3.044) 3.096 4.523 ( 1.597 0.000 -3.032) 3.427 4.882 ( -1.266 0.000 2.187) 2.527 4.894 ( 0.474 0.000 -0.952) 1.064 4.900 ( -0.336 0.000 1.701) 1.734 4.948 ( -0.522 0.000 -1.587) 1.670 6.513 ( 0.771 0.000 2.873) 2.975 6.551 ( 0.083 0.000 0.365) 0.374 6.582 ( 0.262 0.000 9.892) 9.896 6.787 ( 0.952 0.000 -8.905) 8.956 7.726 ( 0.879 0.000 6.915) 6.971 7.913 ( 0.417 0.000 -7.387) 7.399 7.973 ( 2.436 0.000 15.207) 15.401 8.196 ( 5.620 0.000 -7.062) 9.026 8.453 ( 0.236 0.000 0.183) 0.299 8.496 ( -0.826 0.000 0.372) 0.906 8.661 ( 1.446 0.000 0.808) 1.657 8.745 ( -0.549 0.000 0.155) 0.570 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -1.537 5.242 16.396) 17.282 1.305 ( -1.016 7.950 14.408) 16.487 1.516 ( 2.204 4.903 -9.625) 11.024 1.564 ( 1.374 4.622 -12.097) 13.022 1.813 ( 1.088 -1.527 2.752) 3.330 1.873 ( -0.386 0.332 -2.690) 2.737 2.125 ( -0.234 0.320 6.130) 6.142 2.192 ( 0.310 -3.171 -0.614) 3.244 2.385 ( 2.144 -1.423 -0.455) 2.613 2.415 ( -0.459 -0.424 -2.294) 2.377 2.565 ( -5.492 2.263 6.177) 8.570 2.632 ( 1.970 -0.638 -1.691) 2.673 2.716 ( -0.763 2.634 3.681) 4.590 2.774 ( 0.562 1.473 -1.385) 2.099 2.875 ( 2.255 -2.033 2.136) 3.713 2.992 ( -0.828 0.633 -7.017) 7.094 3.098 ( -1.629 -2.204 1.567) 3.157 3.127 ( 1.468 -3.530 5.163) 6.424 3.141 ( -0.458 -1.182 -3.140) 3.386 3.229 ( 0.534 -1.979 -5.024) 5.427 3.455 ( 1.479 -3.848 2.942) 5.064 3.515 ( -2.395 -3.183 -3.236) 5.132 3.707 ( 0.033 4.618 1.483) 4.851 3.713 ( -0.025 0.555 7.410) 7.431 3.747 ( 1.245 1.632 -1.444) 2.510 3.842 ( -1.997 -0.015 -3.804) 4.296 4.191 ( 0.600 -0.888 1.740) 2.043 4.270 ( 1.426 -0.084 -5.161) 5.355 4.396 ( -0.566 -0.685 0.724) 1.146 4.420 ( 0.087 0.750 -1.794) 1.947 4.513 ( -1.479 1.376 3.044) 3.654 4.577 ( 1.691 1.946 -3.564) 4.398 4.847 ( -0.549 -1.375 1.065) 1.824 4.859 ( 0.637 -2.132 -0.217) 2.236 4.957 ( 0.084 2.971 0.449) 3.006 4.968 ( 0.020 2.456 -0.644) 2.539 6.540 ( 0.281 1.405 4.219) 4.455 6.584 ( -0.027 1.371 3.517) 3.775 6.618 ( -0.236 3.338 3.456) 4.811 6.786 ( 0.245 0.121 -9.046) 9.050 7.753 ( 0.578 -0.068 7.411) 7.434 7.899 ( -0.761 -0.059 -6.775) 6.817 7.976 ( -0.792 -3.461 14.392) 14.823 8.209 ( 1.311 -4.643 -8.600) 9.861 8.491 ( 0.635 1.732 -0.393) 1.886 8.492 ( -0.049 1.351 -0.574) 1.469 8.694 ( 1.996 -0.747 1.352) 2.524 8.713 ( -1.991 -0.576 -0.628) 2.166 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 2.943 5.566 10.428) 12.181 1.336 ( 2.659 7.502 10.179) 12.921 1.579 ( 4.358 3.598 -8.021) 9.812 1.610 ( 3.970 4.609 -8.206) 10.215 1.875 ( 5.278 -0.679 1.030) 5.420 1.891 ( 2.958 -1.151 -3.576) 4.781 2.188 ( 5.014 -0.719 5.608) 7.557 2.245 ( 4.795 -3.142 -0.681) 5.773 2.363 ( -3.087 0.084 -2.542) 4.000 2.413 ( -0.768 -0.510 -2.088) 2.283 2.470 ( -4.425 1.762 4.520) 6.566 2.638 ( -2.273 -2.262 3.526) 4.766 2.710 ( 0.668 2.843 3.666) 4.687 2.780 ( -0.541 -1.549 -0.033) 1.642 2.924 ( 3.010 -1.334 2.232) 3.978 3.009 ( 3.614 3.430 -7.873) 9.317 3.077 ( -0.268 -0.662 1.964) 2.090 3.110 ( -1.944 -2.553 -0.876) 3.326 3.165 ( 0.544 -5.167 2.451) 5.745 3.250 ( 1.408 -1.371 -4.000) 4.457 3.427 ( -2.872 -2.852 -0.142) 4.050 3.494 ( -0.575 -2.167 1.125) 2.508 3.684 ( 0.884 5.069 2.011) 5.525 3.732 ( -1.909 1.383 -2.774) 3.640 3.787 ( 3.441 0.479 5.619) 6.606 3.848 ( 2.039 0.280 -1.018) 2.296 4.202 ( 0.498 -1.769 -0.815) 2.010 4.285 ( 1.110 0.621 -6.024) 6.156 4.376 ( -1.693 -0.226 1.417) 2.219 4.404 ( -1.684 1.131 -0.919) 2.227 4.484 ( -1.654 1.101 2.201) 2.965 4.597 ( 0.773 1.764 -3.535) 4.026 4.843 ( 0.081 -1.718 0.678) 1.849 4.876 ( 0.919 -1.929 -0.154) 2.142 4.954 ( -0.308 2.599 0.318) 2.636 4.974 ( 0.519 2.200 -0.611) 2.342 6.548 ( -0.175 1.375 3.593) 3.851 6.581 ( -0.674 2.003 1.237) 2.449 6.615 ( -0.825 2.263 5.595) 6.091 6.772 ( -0.164 0.168 -9.063) 9.066 7.765 ( -0.691 -0.178 7.492) 7.526 7.866 ( -1.294 -0.003 -6.558) 6.684 7.954 ( -3.559 -3.103 13.048) 13.876 8.183 ( -2.400 -4.466 -9.695) 10.941 8.474 ( -0.547 0.981 -0.749) 1.350 8.525 ( 1.802 1.542 -0.968) 2.562 8.665 ( -2.395 -0.721 -0.400) 2.533 8.730 ( 1.174 -0.786 0.790) 1.619 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 7.603 4.271 3.005) 9.223 1.455 ( 8.252 6.256 5.817) 11.877 1.632 ( 1.755 2.934 -5.063) 6.109 1.666 ( 2.794 3.882 -2.498) 5.396 1.974 ( 6.113 -2.163 -3.439) 7.340 2.025 ( 8.674 -0.049 -1.304) 8.772 2.269 ( -2.453 -1.418 0.007) 2.834 2.293 ( -0.091 -1.621 1.739) 2.379 2.363 ( 3.732 -2.232 -0.708) 4.406 2.377 ( 2.127 0.163 0.114) 2.136 2.413 ( -2.579 -0.296 1.921) 3.230 2.575 ( -4.395 -1.213 2.523) 5.211 2.725 ( 0.670 1.685 2.776) 3.316 2.792 ( 1.914 -3.670 1.550) 4.420 2.981 ( 0.280 -3.857 5.561) 6.773 3.039 ( -1.835 -1.940 -1.790) 3.215 3.086 ( 0.422 0.314 1.949) 2.019 3.127 ( 6.707 3.605 -8.519) 11.426 3.138 ( -3.116 -3.306 3.208) 5.561 3.242 ( -1.188 -0.075 0.251) 1.216 3.414 ( 1.789 -0.621 -3.665) 4.125 3.481 ( -0.570 -0.482 2.758) 2.857 3.684 ( -1.677 2.493 -2.726) 4.057 3.738 ( 1.733 4.909 1.189) 5.340 3.848 ( 2.122 -1.263 1.851) 3.087 3.891 ( 2.589 1.005 3.575) 4.527 4.210 ( 0.707 -2.442 -4.026) 4.761 4.300 ( 1.484 1.628 -6.076) 6.463 4.331 ( -3.252 -0.858 2.243) 4.042 4.353 ( -3.113 2.771 0.171) 4.171 4.461 ( -0.979 0.531 1.597) 1.947 4.595 ( -0.354 1.349 -3.760) 4.010 4.852 ( 0.646 -1.911 0.289) 2.038 4.890 ( 0.408 -1.532 -0.105) 1.589 4.952 ( 0.072 1.643 0.698) 1.787 4.983 ( 0.476 1.410 -0.702) 1.645 6.543 ( -0.883 1.454 2.817) 3.291 6.565 ( -0.904 1.798 0.857) 2.187 6.604 ( -1.201 1.884 6.205) 6.595 6.756 ( 0.082 0.354 -8.972) 8.979 7.748 ( -2.122 -0.519 7.594) 7.902 7.834 ( -0.869 -0.001 -5.071) 5.145 7.884 ( -5.029 -2.174 9.223) 10.728 8.095 ( -4.527 -3.199 -10.163) 11.576 8.471 ( 0.307 0.661 -0.066) 0.732 8.554 ( 1.251 1.175 -1.582) 2.334 8.627 ( -1.315 -0.710 0.295) 1.523 8.739 ( -0.328 -0.802 -0.311) 0.921 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 4.549 1.927 1.185) 5.080 1.640 ( -0.017 2.735 -2.883) 3.974 1.659 ( 10.408 3.870 1.932) 11.271 1.733 ( 4.755 4.316 0.329) 6.431 2.062 ( 0.608 -1.386 1.868) 2.405 2.155 ( 1.150 1.114 -0.079) 1.603 2.225 ( 2.247 -1.331 -3.664) 4.500 2.250 ( -0.211 -1.998 -1.343) 2.417 2.352 ( -3.263 -0.983 0.928) 3.532 2.388 ( -3.783 -1.904 2.021) 4.693 2.480 ( 5.651 -2.293 2.855) 6.734 2.569 ( 6.167 -1.505 -2.448) 6.804 2.740 ( -1.766 -2.241 -0.309) 2.870 2.803 ( -1.882 -2.529 2.059) 3.765 2.928 ( -2.288 -8.583 1.724) 9.048 3.021 ( -0.573 0.814 1.373) 1.696 3.047 ( -3.069 -3.676 0.354) 4.802 3.168 ( 3.000 3.705 4.621) 6.639 3.188 ( -0.244 -0.093 -0.661) 0.710 3.277 ( 4.655 3.843 -1.594) 6.243 3.458 ( 3.496 1.036 -4.932) 6.134 3.494 ( 1.540 1.374 3.512) 4.074 3.654 ( -0.869 2.989 -3.454) 4.649 3.678 ( -7.495 6.268 1.629) 9.906 3.931 ( 5.671 -2.074 -1.293) 6.175 3.950 ( 2.090 0.585 6.429) 6.786 4.213 ( -0.291 -2.692 -4.516) 5.266 4.258 ( -3.971 -1.468 1.516) 4.497 4.296 ( -2.300 3.884 0.902) 4.603 4.327 ( 2.060 2.410 -6.353) 7.100 4.452 ( -0.190 0.405 2.277) 2.321 4.572 ( -1.240 0.901 -4.131) 4.406 4.867 ( 0.781 -1.826 0.161) 1.993 4.891 ( -0.242 -1.207 -0.130) 1.238 4.959 ( 0.451 0.715 1.049) 1.347 4.988 ( 0.108 0.507 -0.649) 0.830 6.523 ( -1.492 1.601 2.880) 3.617 6.553 ( -0.523 1.507 0.958) 1.861 6.590 ( -1.174 1.939 6.268) 6.666 6.750 ( 0.777 0.413 -9.008) 9.051 7.714 ( -2.425 -0.877 8.728) 9.101 7.795 ( -4.297 -1.833 6.729) 8.191 7.828 ( 0.499 0.652 -5.210) 5.275 7.992 ( -3.938 -1.483 -9.852) 10.713 8.484 ( 0.869 0.529 1.308) 1.657 8.565 ( 0.027 0.782 -1.836) 1.996 8.620 ( 0.493 -0.636 0.962) 1.254 8.720 ( -1.256 -0.791 -1.936) 2.439 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.411 1.705 2.145) 2.771 1.614 ( -1.744 1.068 -0.708) 2.164 1.789 ( -0.554 3.611 2.248) 4.290 1.799 ( -0.400 3.412 1.062) 3.595 2.069 ( 1.963 0.249 2.087) 2.876 2.088 ( -0.358 1.256 0.009) 1.306 2.247 ( -7.012 -2.426 3.902) 8.383 2.292 ( -0.966 -0.005 -0.643) 1.160 2.321 ( 1.599 -0.906 -2.992) 3.511 2.356 ( 6.907 -2.837 -4.575) 8.757 2.585 ( 1.677 -3.507 4.069) 5.628 2.623 ( -4.495 -2.683 0.038) 5.235 2.704 ( 3.287 -5.747 -0.281) 6.627 2.767 ( 0.135 -1.482 -5.785) 5.974 2.930 ( 0.531 -4.803 3.298) 5.850 2.979 ( -1.353 -1.709 -0.932) 2.371 3.067 ( 3.200 -2.008 3.209) 4.957 3.132 ( -2.446 -0.704 -3.069) 3.987 3.265 ( 3.306 2.349 3.729) 5.510 3.306 ( -1.541 2.018 -0.570) 2.602 3.455 ( -8.904 8.915 7.188) 14.506 3.538 ( 0.624 4.886 4.182) 6.461 3.582 ( 3.177 -0.022 -3.806) 4.957 3.652 ( 2.982 4.275 -7.878) 9.447 3.968 ( -1.270 -0.822 4.631) 4.872 4.031 ( 3.890 -2.135 -2.388) 5.039 4.152 ( -4.564 -0.665 2.752) 5.371 4.209 ( -1.483 -1.160 1.537) 2.431 4.289 ( 1.633 1.968 -3.265) 4.147 4.357 ( 1.948 3.052 -6.891) 7.784 4.462 ( 0.751 0.471 3.375) 3.489 4.539 ( -1.285 0.534 -4.228) 4.451 4.875 ( -0.364 -1.787 0.660) 1.939 4.887 ( 0.259 -1.182 -0.480) 1.302 4.968 ( 0.164 0.773 1.199) 1.435 4.985 ( -0.244 -0.123 -0.628) 0.685 6.502 ( -1.014 1.629 3.509) 3.999 6.548 ( -0.304 1.283 2.520) 2.844 6.580 ( -0.613 2.457 4.975) 5.583 6.757 ( 1.299 0.333 -9.103) 9.201 7.693 ( -1.135 -1.102 9.915) 10.040 7.739 ( -1.868 -1.240 5.706) 6.131 7.856 ( 3.123 0.423 -4.937) 5.857 7.923 ( -1.470 -0.196 -9.040) 9.161 8.504 ( 0.736 0.681 2.487) 2.681 8.548 ( -1.435 0.675 -1.644) 2.284 8.646 ( 1.777 -0.744 1.342) 2.347 8.691 ( -1.004 -0.707 -3.659) 3.860 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -7.204 1.428 3.796) 8.267 1.570 ( -5.100 2.359 5.806) 8.080 1.694 ( -5.635 4.836 -2.289) 7.771 1.743 ( -2.798 3.787 -0.767) 4.770 2.053 ( -8.619 -1.744 3.791) 9.576 2.126 ( -1.002 -3.670 0.334) 3.819 2.162 ( 2.177 1.662 2.948) 4.024 2.250 ( 0.704 1.072 -1.540) 2.005 2.370 ( 0.215 -2.159 0.577) 2.245 2.466 ( 2.557 -1.810 -5.243) 6.108 2.519 ( -0.077 1.009 -2.982) 3.149 2.580 ( -3.588 -3.600 -1.389) 5.269 2.734 ( 1.503 -5.137 -0.703) 5.399 2.812 ( 2.127 -7.867 1.684) 8.322 2.935 ( 0.916 -1.135 0.115) 1.463 3.005 ( 1.182 2.385 4.361) 5.109 3.096 ( -1.053 -0.897 -2.702) 3.035 3.107 ( -2.497 -2.027 3.056) 4.436 3.216 ( -2.393 2.572 1.701) 3.903 3.308 ( -2.067 2.749 -4.067) 5.326 3.327 ( -1.005 2.664 5.172) 5.904 3.566 ( 1.057 5.159 4.442) 6.889 3.589 ( -0.680 1.431 -2.799) 3.217 3.758 ( 6.024 3.706 -5.630) 9.040 3.906 ( -5.110 -1.727 0.956) 5.478 4.041 ( -2.711 -1.543 -1.550) 3.484 4.111 ( 0.668 0.116 3.465) 3.531 4.203 ( 0.265 -1.090 2.754) 2.974 4.331 ( 2.818 0.946 -3.614) 4.679 4.378 ( 1.187 2.873 -5.781) 6.563 4.491 ( 1.458 0.600 3.517) 3.854 4.515 ( -0.416 0.422 -3.631) 3.679 4.862 ( -0.831 -2.116 0.562) 2.342 4.892 ( 0.089 -0.996 -0.068) 1.002 4.965 ( -0.608 1.163 0.909) 1.596 4.980 ( -0.127 0.338 -0.378) 0.523 6.497 ( -0.126 1.562 4.045) 4.338 6.549 ( -0.245 0.878 5.588) 5.662 6.584 ( 0.419 3.307 2.213) 4.001 6.769 ( 1.409 0.305 -9.035) 9.149 7.689 ( -0.569 -0.962 6.825) 6.916 7.759 ( 2.550 -1.630 10.592) 11.016 7.903 ( 0.665 0.351 -8.112) 8.147 7.936 ( 5.714 -0.394 -5.160) 7.710 8.510 ( -1.811 0.765 -0.984) 2.199 8.519 ( 0.188 1.129 2.216) 2.494 8.656 ( -0.815 -1.135 -2.428) 2.801 8.700 ( 2.117 -0.237 -0.125) 2.134 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -6.970 3.867 6.721) 10.427 1.433 ( -8.257 4.931 9.257) 13.348 1.616 ( -2.569 4.699 -4.427) 6.948 1.692 ( -3.152 3.617 -4.660) 6.688 1.878 ( -7.311 -1.843 5.207) 9.163 2.039 ( -6.550 -0.607 -1.273) 6.700 2.215 ( 1.182 -0.673 3.569) 3.820 2.303 ( 2.913 -0.780 1.305) 3.286 2.329 ( -2.525 -1.204 2.611) 3.826 2.376 ( -6.508 -3.973 -3.288) 8.304 2.545 ( 2.733 1.785 -8.124) 8.755 2.636 ( 4.956 -1.567 -2.885) 5.945 2.727 ( -0.559 -2.569 2.531) 3.649 2.828 ( -2.161 -2.636 -1.106) 3.583 2.896 ( -8.164 6.679 12.256) 16.170 2.996 ( 3.036 -3.230 2.685) 5.183 3.050 ( -0.035 -2.025 -0.005) 2.025 3.133 ( 1.695 -3.203 -3.073) 4.751 3.218 ( -1.098 0.634 -3.137) 3.384 3.266 ( -0.363 -0.113 -3.044) 3.068 3.335 ( 0.862 0.387 2.914) 3.063 3.573 ( 0.253 -1.243 -4.806) 4.970 3.601 ( 1.589 5.311 5.496) 7.806 3.782 ( -4.372 2.668 -3.188) 6.033 3.832 ( -0.826 -0.416 2.136) 2.327 3.979 ( -2.932 -1.820 -4.007) 5.288 4.142 ( 1.494 2.003 3.449) 4.259 4.219 ( 1.044 -2.054 0.295) 2.323 4.376 ( 1.913 0.445 -1.827) 2.682 4.392 ( 1.239 1.769 -3.696) 4.281 4.515 ( 1.023 0.708 -3.391) 3.612 4.522 ( 0.893 1.032 3.201) 3.480 4.849 ( -0.507 -2.297 0.545) 2.415 4.887 ( -0.689 -1.078 0.336) 1.323 4.954 ( -0.449 1.857 0.697) 2.033 4.977 ( -0.195 1.449 -0.339) 1.500 6.507 ( 0.468 1.489 4.295) 4.570 6.557 ( 0.097 0.557 6.831) 6.854 6.600 ( 0.775 4.002 0.977) 4.192 6.782 ( 1.279 0.320 -8.922) 9.019 7.699 ( 0.455 -0.514 6.595) 6.631 7.848 ( 3.975 -2.866 12.676) 13.590 7.912 ( 1.244 0.489 -7.443) 7.562 8.053 ( 6.644 -1.923 -5.826) 9.043 8.477 ( -1.089 1.192 -0.802) 1.802 8.522 ( -0.301 1.512 1.496) 2.149 8.641 ( -0.092 -0.827 -1.224) 1.480 8.735 ( 1.184 -0.357 0.166) 1.248 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -3.260 5.287 12.085) 13.588 1.327 ( -3.900 6.948 12.270) 14.630 1.549 ( -3.301 4.392 -6.215) 8.295 1.604 ( -3.431 4.451 -8.327) 10.046 1.809 ( -1.224 -1.717 2.988) 3.657 1.921 ( -4.403 0.773 -0.929) 4.566 2.176 ( -4.819 -0.878 5.343) 7.249 2.234 ( -4.291 -3.103 0.583) 5.327 2.337 ( 2.058 -1.159 -1.244) 2.669 2.391 ( 3.188 -1.182 0.766) 3.485 2.581 ( 2.238 0.249 -6.684) 7.053 2.680 ( -3.585 -0.003 1.981) 4.096 2.701 ( -0.786 2.830 6.369) 7.013 2.779 ( -0.133 1.403 0.543) 1.510 2.836 ( 0.332 1.478 0.741) 1.686 3.031 ( -1.333 -0.848 -2.482) 2.942 3.067 ( 2.608 -5.055 3.147) 6.501 3.133 ( -0.669 -2.039 -2.174) 3.055 3.176 ( -2.568 -0.849 -1.119) 2.927 3.244 ( -1.013 -1.477 -3.217) 3.682 3.391 ( 3.743 -1.790 2.282) 4.735 3.564 ( -1.199 -4.126 -4.435) 6.175 3.650 ( 2.370 3.598 5.540) 7.018 3.715 ( -0.698 4.095 -1.666) 4.476 3.790 ( -3.705 -0.150 3.368) 5.009 3.910 ( -3.414 -0.478 -5.214) 6.251 4.172 ( 0.971 0.662 3.243) 3.449 4.245 ( 1.745 -1.074 -2.999) 3.632 4.396 ( 0.511 -0.564 -0.410) 0.864 4.412 ( 0.997 1.118 -2.176) 2.642 4.527 ( -0.321 0.982 2.955) 3.130 4.546 ( 1.923 1.820 -3.313) 4.241 4.846 ( 0.137 -2.171 0.443) 2.220 4.868 ( -1.113 -1.287 0.613) 1.809 4.952 ( 0.129 2.662 0.604) 2.733 4.972 ( -0.209 2.201 -0.524) 2.272 6.525 ( 0.551 1.452 4.370) 4.638 6.572 ( 0.352 0.611 6.098) 6.138 6.613 ( 0.357 4.170 1.337) 4.394 6.790 ( 0.880 0.239 -8.940) 8.986 7.725 ( 0.973 -0.180 7.113) 7.181 7.912 ( 0.554 -0.718 -4.387) 4.480 7.940 ( 2.069 -2.617 11.233) 11.718 8.159 ( 4.869 -3.620 -7.148) 9.376 8.470 ( 0.469 1.631 -0.349) 1.732 8.511 ( -0.881 1.602 0.327) 1.857 8.655 ( 1.483 -0.655 0.729) 1.778 8.741 ( -0.599 -0.481 -0.269) 0.814 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -1.056 8.797 13.461) 16.115 1.487 ( 0.056 10.887 11.110) 15.556 1.636 ( 1.616 7.394 -9.956) 12.506 1.676 ( 0.382 6.242 -7.109) 9.468 1.793 ( 2.229 -0.278 1.183) 2.539 1.862 ( -0.865 -1.311 -5.060) 5.298 2.108 ( -0.299 -5.101 2.229) 5.575 2.130 ( 0.322 -0.831 0.814) 1.207 2.341 ( 1.258 -3.057 1.703) 3.719 2.394 ( 0.469 -2.282 -2.829) 3.665 2.562 ( -0.201 -1.079 3.816) 3.971 2.638 ( -3.100 0.587 -3.664) 4.836 2.771 ( -0.156 -0.851 0.268) 0.906 2.792 ( -0.506 0.581 -1.986) 2.130 2.871 ( -0.943 4.555 8.958) 10.094 2.980 ( 2.076 -4.867 -0.062) 5.292 3.041 ( -0.106 -1.452 2.638) 3.013 3.090 ( 0.824 -0.299 2.592) 2.736 3.119 ( -1.826 0.374 -4.438) 4.813 3.187 ( 0.205 -2.010 -5.665) 6.014 3.407 ( 0.323 -1.279 2.098) 2.478 3.455 ( -0.825 -2.859 -2.746) 4.049 3.699 ( -1.077 -1.884 5.258) 5.688 3.755 ( 1.724 -1.230 -1.014) 2.347 3.802 ( 1.277 4.269 0.974) 4.561 3.868 ( -1.718 3.816 -4.793) 6.363 4.165 ( -0.601 -2.132 3.661) 4.279 4.230 ( 1.145 -3.587 -2.521) 4.532 4.408 ( -0.139 1.684 0.850) 1.892 4.439 ( 0.180 0.853 -2.136) 2.307 4.550 ( -1.023 2.392 2.677) 3.733 4.606 ( 1.497 0.971 -2.984) 3.476 4.825 ( -0.749 -0.977 0.149) 1.240 4.829 ( 0.762 -1.027 -0.256) 1.304 5.007 ( 0.225 2.371 0.942) 2.561 5.016 ( -0.206 2.375 0.090) 2.385 6.573 ( -0.059 1.703 6.726) 6.938 6.598 ( 0.084 0.737 7.071) 7.110 6.702 ( -0.097 4.478 -4.273) 6.190 6.790 ( 0.185 0.261 -8.954) 8.960 7.751 ( 0.571 -0.155 7.928) 7.950 7.864 ( -0.754 -4.304 6.834) 8.112 7.933 ( -0.416 0.099 -1.748) 1.800 8.105 ( 0.652 -5.953 -8.773) 10.622 8.524 ( -0.403 2.088 -0.106) 2.129 8.532 ( 0.576 2.504 -0.850) 2.706 8.674 ( 1.556 -1.381 1.028) 2.321 8.695 ( -1.725 -1.361 -1.184) 2.496 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 3.060 9.369 8.604) 13.084 1.519 ( 2.055 11.630 7.680) 14.088 1.665 ( 2.421 5.151 -7.700) 9.575 1.705 ( 2.533 4.353 -3.503) 6.135 1.863 ( 2.009 -1.770 -5.318) 5.954 1.882 ( 7.008 1.856 -1.624) 7.429 2.142 ( 3.176 -4.835 1.633) 6.011 2.183 ( 4.345 -2.850 0.538) 5.224 2.343 ( -1.412 -2.519 0.134) 2.891 2.381 ( -0.984 -2.628 -3.104) 4.185 2.511 ( -4.703 2.051 1.712) 5.409 2.595 ( -1.665 -1.607 2.558) 3.450 2.722 ( -3.399 -3.127 0.224) 4.624 2.778 ( -0.513 2.789 1.239) 3.095 2.898 ( 0.082 -3.030 4.636) 5.539 3.011 ( 0.324 -5.128 0.816) 5.202 3.059 ( 0.032 0.026 -0.465) 0.467 3.065 ( 0.962 0.222 3.260) 3.406 3.154 ( 4.117 3.629 -1.463) 5.680 3.209 ( 2.267 -1.753 -4.327) 5.190 3.388 ( -1.427 -1.521 -0.304) 2.108 3.462 ( 1.105 -1.184 0.427) 1.675 3.698 ( 0.730 -1.353 2.643) 3.058 3.800 ( 1.129 2.171 -1.350) 2.795 3.824 ( 1.996 2.709 1.406) 3.647 3.861 ( 1.683 3.079 -2.521) 4.321 4.155 ( -0.840 -3.313 2.230) 4.081 4.245 ( 0.878 -3.833 -2.839) 4.850 4.400 ( -0.953 2.197 0.921) 2.566 4.433 ( -0.516 1.213 -1.520) 2.012 4.523 ( -1.997 2.920 1.951) 4.040 4.621 ( 0.479 0.582 -3.453) 3.535 4.818 ( -0.053 -0.879 0.084) 0.885 4.846 ( 0.875 -1.337 -0.155) 1.605 5.001 ( -0.884 2.282 0.340) 2.471 5.013 ( -0.189 1.868 0.430) 1.926 6.578 ( -0.496 1.517 6.339) 6.537 6.603 ( -0.755 0.940 6.268) 6.383 6.686 ( -0.776 4.239 -3.548) 5.582 6.777 ( -0.082 0.275 -8.566) 8.571 7.760 ( -1.003 -0.301 7.594) 7.666 7.843 ( -1.942 -3.221 3.947) 5.452 7.910 ( -1.949 -0.397 0.711) 2.112 8.080 ( -1.613 -5.963 -8.905) 10.838 8.501 ( -1.025 1.890 -0.300) 2.171 8.560 ( 1.424 1.944 -0.765) 2.528 8.646 ( -2.242 -1.188 -0.516) 2.589 8.708 ( 1.080 -1.545 0.509) 1.952 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 5.282 7.935 1.299) 9.620 1.603 ( 5.408 9.366 2.977) 11.217 1.701 ( 1.977 3.859 -1.601) 4.622 1.748 ( 2.515 4.661 -0.439) 5.314 1.926 ( 5.111 -2.541 -3.629) 6.764 2.041 ( 8.414 1.476 -4.807) 9.802 2.220 ( 3.630 -5.119 2.384) 6.713 2.244 ( -0.434 -2.114 0.390) 2.193 2.310 ( -1.147 -3.217 -0.109) 3.417 2.361 ( 1.290 -1.611 -3.073) 3.702 2.440 ( -2.750 1.528 3.506) 4.710 2.546 ( -3.532 -0.856 2.456) 4.386 2.673 ( -1.280 -5.662 -0.056) 5.805 2.769 ( -0.479 1.069 -0.828) 1.434 2.852 ( -4.813 -8.220 2.781) 9.923 2.991 ( -1.856 -5.522 2.944) 6.528 3.054 ( -0.339 -0.058 -0.069) 0.351 3.147 ( 4.897 4.218 4.323) 7.776 3.221 ( 0.044 -2.183 -0.205) 2.193 3.267 ( 6.250 8.341 -3.856) 11.113 3.380 ( 1.356 -2.582 -2.675) 3.958 3.497 ( 2.487 1.600 2.551) 3.906 3.723 ( 0.786 1.302 -0.503) 1.603 3.816 ( 2.236 2.177 -0.777) 3.216 3.872 ( 0.149 5.092 1.795) 5.402 3.899 ( 3.013 -0.053 0.442) 3.046 4.141 ( -0.600 -4.793 -0.725) 4.885 4.252 ( -0.076 -4.162 -2.537) 4.875 4.374 ( -1.661 2.929 1.504) 3.688 4.414 ( -1.254 2.429 -0.012) 2.733 4.487 ( -1.569 2.707 0.810) 3.232 4.614 ( -0.567 0.353 -4.006) 4.062 4.822 ( 0.498 -1.037 -0.080) 1.153 4.860 ( 0.487 -1.584 -0.027) 1.658 4.982 ( -0.917 1.558 0.305) 1.833 5.007 ( -0.498 1.006 0.284) 1.158 6.574 ( -0.869 1.501 5.215) 5.496 6.590 ( -1.362 1.089 5.817) 6.073 6.664 ( -0.922 3.875 -2.229) 4.564 6.763 ( 0.083 0.292 -8.003) 8.009 7.735 ( -2.527 -0.834 6.496) 7.020 7.806 ( -2.834 -3.180 6.409) 7.696 7.867 ( -1.780 0.781 -2.696) 3.324 8.021 ( -2.779 -4.351 -8.106) 9.610 8.490 ( -0.057 1.398 0.325) 1.437 8.577 ( 0.367 0.625 -0.575) 0.925 8.614 ( -0.804 -0.095 -0.496) 0.950 8.717 ( -0.276 -1.569 -0.364) 1.634 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 2.684 4.667 -1.164) 5.508 1.673 ( 0.094 2.155 -1.619) 2.697 1.784 ( 6.993 7.387 1.969) 10.361 1.817 ( 4.080 4.751 1.265) 6.389 2.021 ( 3.282 -2.944 0.204) 4.414 2.149 ( 2.073 -1.812 -2.617) 3.799 2.222 ( -1.715 1.256 -0.119) 2.128 2.234 ( 2.015 0.465 -0.794) 2.215 2.307 ( -1.710 -4.051 5.202) 6.811 2.371 ( -2.023 0.798 -2.619) 3.404 2.446 ( 2.669 -2.959 3.258) 5.147 2.507 ( 1.638 -3.807 -1.919) 4.567 2.664 ( -1.754 -6.117 1.199) 6.476 2.742 ( -1.954 -5.912 -4.574) 7.726 2.778 ( -0.478 -3.007 2.405) 3.880 2.945 ( -3.128 -6.402 1.307) 7.244 3.051 ( 0.381 2.253 1.944) 3.000 3.191 ( -2.243 0.316 -1.374) 2.650 3.243 ( 3.740 3.406 2.869) 5.815 3.346 ( 1.222 2.265 -1.348) 2.905 3.466 ( 7.587 1.963 -2.878) 8.348 3.572 ( 4.481 4.551 2.805) 6.975 3.709 ( -2.092 4.408 -0.985) 4.977 3.825 ( -4.524 6.930 0.672) 8.304 3.891 ( 4.622 -0.904 -0.307) 4.719 3.953 ( 1.406 -0.266 3.668) 3.938 4.136 ( 0.601 -5.295 -3.644) 6.456 4.215 ( -3.532 -3.443 -0.109) 4.934 4.356 ( -0.498 2.731 1.531) 3.171 4.396 ( -0.053 3.516 0.033) 3.517 4.470 ( -0.347 1.945 0.616) 2.070 4.587 ( -1.410 0.440 -4.323) 4.569 4.835 ( 0.773 -1.351 -0.090) 1.559 4.862 ( -0.190 -1.677 -0.234) 1.704 4.971 ( -0.205 0.585 0.506) 0.800 4.995 ( -0.701 0.148 0.103) 0.723 6.558 ( -1.418 1.888 4.212) 4.829 6.576 ( -0.957 1.031 6.185) 6.343 6.646 ( -0.514 3.662 -1.165) 3.877 6.757 ( 0.570 0.138 -7.900) 7.922 7.694 ( -2.451 -1.071 6.930) 7.428 7.751 ( -3.395 -2.683 5.704) 7.159 7.847 ( 0.353 1.358 -3.825) 4.074 7.957 ( -2.277 -2.161 -7.325) 7.969 8.500 ( 0.848 1.148 1.429) 2.020 8.579 ( 0.054 0.145 -0.228) 0.276 8.608 ( 0.184 0.031 -0.665) 0.691 8.699 ( -1.232 -1.458 -1.847) 2.656 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -1.431 2.792 1.495) 3.476 1.647 ( -0.987 2.413 -0.524) 2.659 1.863 ( -0.629 3.370 1.836) 3.889 1.875 ( -0.148 4.831 0.856) 4.909 2.072 ( 1.878 0.053 2.239) 2.923 2.107 ( -0.460 -0.139 -1.146) 1.243 2.206 ( -7.809 -1.536 6.187) 10.081 2.254 ( 1.696 -3.136 0.961) 3.692 2.322 ( 0.653 1.086 -3.443) 3.668 2.343 ( 5.718 1.602 -3.603) 6.946 2.483 ( -0.342 -6.485 2.508) 6.961 2.567 ( 0.901 -5.027 -5.206) 7.293 2.584 ( -1.916 -3.871 5.636) 7.101 2.715 ( -1.195 -4.928 -4.142) 6.547 2.842 ( 4.765 -4.237 0.092) 6.377 2.894 ( -0.553 -6.083 -3.603) 7.092 3.083 ( 2.376 2.863 3.150) 4.875 3.140 ( -2.353 1.449 -2.509) 3.732 3.300 ( 1.630 1.771 2.013) 3.138 3.342 ( -1.102 1.285 -1.835) 2.497 3.579 ( -2.575 2.619 1.774) 4.079 3.604 ( -0.607 3.968 -0.737) 4.081 3.678 ( 0.376 9.214 4.841) 10.416 3.765 ( 1.978 6.649 -3.796) 7.908 3.949 ( -1.996 -0.861 2.150) 3.057 3.977 ( 3.691 -3.202 -0.871) 4.964 4.121 ( -4.562 -2.920 2.053) 5.792 4.163 ( 1.010 -3.348 -1.176) 3.689 4.352 ( 0.157 3.616 1.808) 4.045 4.415 ( 1.627 2.836 -2.840) 4.331 4.473 ( 0.406 0.876 2.440) 2.624 4.550 ( -1.515 0.462 -4.177) 4.467 4.844 ( -0.396 -1.427 0.559) 1.583 4.859 ( 0.426 -1.625 -0.982) 1.946 4.976 ( 0.530 0.046 0.629) 0.824 4.982 ( -0.572 -0.206 -0.016) 0.608 6.539 ( -1.065 2.122 4.615) 5.190 6.569 ( -0.801 1.027 6.538) 6.667 6.643 ( 0.387 3.782 -1.239) 3.999 6.761 ( 1.136 -0.043 -8.069) 8.149 7.669 ( -1.182 -1.157 8.092) 8.260 7.707 ( -1.474 -1.972 4.744) 5.345 7.868 ( 2.448 0.897 -3.668) 4.500 7.917 ( -0.548 -0.474 -7.118) 7.154 8.523 ( 1.118 1.374 2.283) 2.889 8.566 ( -1.270 1.280 -1.860) 2.590 8.627 ( 1.431 -1.298 1.198) 2.273 8.671 ( -0.816 -1.442 -3.501) 3.873 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -5.036 4.046 3.599) 7.395 1.628 ( -2.528 3.519 3.609) 5.639 1.797 ( -4.502 5.702 0.113) 7.266 1.829 ( -3.276 4.910 -0.001) 5.902 2.019 ( -7.885 -1.927 2.067) 8.376 2.068 ( -3.230 -1.708 1.793) 4.070 2.191 ( 2.927 0.577 2.411) 3.836 2.249 ( 0.371 -1.554 -0.215) 1.613 2.328 ( -1.400 -2.218 0.708) 2.717 2.403 ( -3.677 -5.120 -3.844) 7.383 2.479 ( 4.093 -3.244 -0.152) 5.225 2.569 ( 2.600 1.711 -4.858) 5.769 2.628 ( 3.372 -5.111 2.342) 6.555 2.681 ( -1.305 -5.044 0.212) 5.215 2.877 ( 1.671 -5.085 -5.756) 7.860 2.968 ( 4.958 -5.639 -0.948) 7.568 3.089 ( -1.792 1.946 -1.747) 3.171 3.149 ( 2.326 3.061 2.507) 4.589 3.270 ( -4.830 3.626 0.870) 6.102 3.336 ( 0.645 1.046 0.052) 1.230 3.416 ( -8.375 5.664 1.241) 10.187 3.605 ( -2.279 2.021 -0.301) 3.061 3.679 ( 0.245 4.627 1.886) 5.002 3.833 ( 0.811 1.473 0.586) 1.780 3.905 ( -0.841 4.299 -2.389) 4.990 3.994 ( -3.473 -3.623 0.255) 5.025 4.081 ( 2.605 -3.281 0.940) 4.294 4.180 ( 0.155 -1.535 2.797) 3.194 4.373 ( 1.567 3.338 0.608) 3.738 4.430 ( 0.352 2.519 -3.952) 4.699 4.498 ( 1.571 -0.013 2.631) 3.065 4.523 ( -0.388 0.317 -2.377) 2.429 4.830 ( -0.727 -1.108 0.212) 1.343 4.867 ( 0.228 -1.531 -0.525) 1.634 4.975 ( -0.060 0.231 0.061) 0.247 4.990 ( 0.770 0.387 0.576) 1.037 6.533 ( -0.286 2.120 5.146) 5.573 6.566 ( -0.676 0.877 7.331) 7.414 6.658 ( 1.334 4.086 -2.266) 4.860 6.774 ( 1.427 0.022 -8.183) 8.306 7.668 ( -0.183 -1.086 6.929) 7.016 7.719 ( 1.600 -2.472 7.907) 8.438 7.911 ( 1.022 0.487 -7.128) 7.217 7.929 ( 4.266 -0.263 -4.458) 6.176 8.531 ( -1.425 1.477 -1.283) 2.420 8.549 ( 0.759 2.102 1.394) 2.634 8.631 ( -0.721 -1.494 -1.651) 2.341 8.685 ( 2.123 -1.446 -0.901) 2.722 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -4.507 6.902 6.601) 10.560 1.555 ( -4.983 7.859 7.050) 11.674 1.726 ( -2.694 6.442 -2.485) 7.411 1.773 ( -2.181 4.086 -2.772) 5.398 1.846 ( -8.156 -0.763 3.654) 8.970 2.006 ( -4.200 -2.289 -1.809) 5.114 2.210 ( -2.321 -2.186 3.196) 4.515 2.261 ( 1.270 -1.280 2.811) 3.340 2.287 ( -5.417 -5.600 -3.305) 8.463 2.315 ( 0.175 -1.502 1.653) 2.240 2.546 ( 2.224 -1.758 -4.599) 5.403 2.615 ( 2.677 -0.441 -4.246) 5.039 2.690 ( 2.466 -3.370 -1.756) 4.530 2.726 ( 5.050 -3.127 2.652) 6.505 2.900 ( 1.015 -4.692 -1.554) 5.046 3.015 ( -2.064 -1.447 1.586) 2.978 3.061 ( -0.054 -0.404 -1.857) 1.901 3.116 ( -4.503 8.686 6.338) 11.658 3.219 ( -0.662 -1.180 -0.772) 1.558 3.288 ( -4.557 2.964 -3.974) 6.734 3.348 ( 0.720 0.967 0.360) 1.259 3.551 ( -2.634 -1.081 -2.608) 3.861 3.682 ( -0.251 2.457 3.401) 4.203 3.799 ( -2.031 0.922 0.872) 2.395 3.865 ( -4.371 0.379 1.504) 4.638 3.948 ( -0.694 0.497 -3.892) 3.984 4.151 ( 3.555 -2.640 -1.208) 4.589 4.178 ( -0.743 -0.757 4.152) 4.285 4.401 ( 0.811 2.316 0.942) 2.628 4.427 ( 0.293 1.735 -2.945) 3.431 4.525 ( 1.513 0.316 -2.389) 2.846 4.541 ( 1.557 0.752 2.632) 3.149 4.820 ( -0.320 -0.752 0.066) 0.820 4.863 ( -0.655 -1.418 -0.213) 1.576 4.981 ( 0.564 1.246 0.446) 1.438 5.005 ( 0.629 1.205 0.417) 1.422 6.543 ( 0.323 2.026 5.668) 6.028 6.568 ( -0.227 0.667 7.773) 7.805 6.683 ( 1.514 4.324 -3.306) 5.649 6.788 ( 1.293 0.221 -8.436) 8.538 7.686 ( 0.851 -0.699 7.006) 7.092 7.781 ( 2.769 -4.023 10.118) 11.234 7.925 ( 1.359 0.952 -7.228) 7.416 8.012 ( 4.644 -2.216 -5.791) 7.747 8.506 ( -0.595 1.885 -1.338) 2.387 8.561 ( 0.045 2.539 0.666) 2.626 8.621 ( 0.175 -1.248 -0.965) 1.587 8.719 ( 1.188 -1.486 -0.643) 2.008 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -2.620 8.447 10.829) 13.982 1.490 ( -2.518 10.179 9.773) 14.333 1.660 ( -2.903 7.249 -5.961) 9.824 1.714 ( -2.689 6.564 -5.392) 8.910 1.773 ( -0.457 -2.387 2.312) 3.354 1.915 ( -3.799 -1.179 -3.773) 5.483 2.147 ( -3.533 -4.724 2.994) 6.615 2.171 ( -4.441 -1.503 0.015) 4.688 2.307 ( 1.711 -2.157 1.558) 3.164 2.356 ( 3.042 -2.521 1.130) 4.109 2.559 ( 0.261 -1.902 -2.850) 3.436 2.658 ( 1.804 -0.373 -3.194) 3.687 2.749 ( 3.182 -3.003 -2.397) 4.989 2.784 ( 0.067 2.607 -0.052) 2.608 2.918 ( -1.077 1.372 7.142) 7.352 2.942 ( -1.489 -2.886 2.221) 3.934 3.051 ( -1.028 2.989 0.841) 3.271 3.083 ( -0.617 -2.239 1.896) 2.998 3.173 ( -2.749 0.540 -4.039) 4.915 3.220 ( -2.289 -0.961 -4.314) 4.977 3.376 ( 1.901 -0.022 0.731) 2.036 3.496 ( -2.453 -2.974 -2.575) 4.636 3.691 ( 0.715 -0.152 3.380) 3.458 3.779 ( -2.782 -1.773 1.254) 3.529 3.785 ( -0.812 3.705 1.334) 4.021 3.916 ( -1.943 2.115 -5.100) 5.853 4.170 ( -0.672 -1.317 4.302) 4.549 4.204 ( 2.076 -2.897 -2.135) 4.155 4.408 ( -0.009 1.626 1.089) 1.957 4.434 ( 0.624 1.071 -2.431) 2.729 4.551 ( 0.654 1.407 2.169) 2.666 4.575 ( 1.917 1.147 -1.870) 2.913 4.819 ( 0.249 -0.745 -0.116) 0.794 4.844 ( -1.079 -1.213 0.037) 1.624 4.996 ( 0.729 2.081 0.834) 2.357 5.015 ( 0.287 2.014 0.248) 2.049 6.560 ( 0.311 1.901 6.316) 6.604 6.582 ( 0.288 0.593 7.663) 7.691 6.701 ( 0.857 4.472 -4.102) 6.129 6.795 ( 0.779 0.298 -8.816) 8.856 7.719 ( 1.213 -0.340 7.627) 7.731 7.843 ( 1.510 -5.040 10.449) 11.699 7.936 ( 0.717 0.980 -6.150) 6.268 8.080 ( 3.121 -4.418 -7.517) 9.261 8.506 ( 0.726 2.185 -0.768) 2.427 8.552 ( -0.943 2.518 -0.170) 2.694 8.638 ( 1.518 -0.996 0.410) 1.861 8.724 ( -0.610 -1.496 -1.019) 1.910 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -0.039 8.406 9.414) 12.621 1.658 ( 1.490 1.919 4.975) 5.536 1.714 ( -0.258 2.654 3.491) 4.393 1.768 ( 0.271 5.398 -7.762) 9.459 1.815 ( 1.271 -0.824 -2.269) 2.728 1.861 ( 0.295 1.836 -2.879) 3.427 2.014 ( -0.047 -2.174 1.612) 2.707 2.081 ( 0.195 -4.967 -3.930) 6.337 2.301 ( 0.998 -0.288 1.454) 1.786 2.335 ( 0.297 -3.325 -2.044) 3.914 2.570 ( 0.284 2.001 3.179) 3.767 2.623 ( -2.647 -2.715 -1.758) 4.179 2.752 ( 0.801 1.193 -0.127) 1.443 2.795 ( -0.852 -1.142 -4.107) 4.347 2.885 ( 1.623 -2.333 2.941) 4.090 2.902 ( -2.558 -2.012 1.107) 3.438 3.069 ( -1.117 0.020 1.232) 1.663 3.083 ( -0.294 -0.148 0.230) 0.401 3.142 ( -0.921 4.908 1.984) 5.373 3.201 ( 0.269 1.006 -2.608) 2.809 3.393 ( -0.281 -0.310 0.617) 0.745 3.410 ( -0.022 -1.968 -1.092) 2.251 3.668 ( -0.011 -0.536 1.621) 1.708 3.697 ( 2.044 -3.396 -1.483) 4.232 3.890 ( 0.466 4.577 2.796) 5.383 3.932 ( -0.474 1.203 -0.963) 1.613 4.126 ( -0.891 -0.681 2.222) 2.489 4.162 ( 0.210 -3.501 -1.232) 3.718 4.437 ( 0.058 1.134 -0.195) 1.152 4.448 ( 0.117 -0.008 -1.232) 1.238 4.591 ( -0.077 1.754 0.933) 1.989 4.611 ( 0.851 -0.419 -1.179) 1.513 4.815 ( -0.288 -0.170 -0.057) 0.339 4.817 ( 0.270 -0.381 -0.334) 0.574 5.042 ( 0.103 1.171 1.110) 1.617 5.046 ( -0.122 0.730 0.674) 1.001 6.598 ( -0.173 1.064 7.863) 7.936 6.609 ( 0.044 0.083 7.402) 7.402 6.766 ( 0.093 2.366 -6.915) 7.310 6.791 ( 0.151 -0.427 -8.327) 8.339 7.752 ( 0.434 0.608 8.561) 8.593 7.786 ( -0.137 -3.243 9.069) 9.632 7.955 ( -0.430 1.956 -6.863) 7.149 8.009 ( -0.122 -4.051 -8.373) 9.302 8.564 ( 0.013 1.873 0.276) 1.893 8.573 ( -0.043 1.320 -0.581) 1.443 8.650 ( 0.608 -0.670 -0.041) 0.906 8.665 ( -0.979 -1.754 -1.427) 2.463 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 3.086 8.750 6.049) 11.076 1.714 ( 1.439 -2.584 2.606) 3.942 1.737 ( 3.632 9.452 3.587) 10.742 1.774 ( 1.008 6.540 -5.211) 8.423 1.821 ( 1.722 -2.757 -6.475) 7.245 1.915 ( 4.840 -2.425 -1.509) 5.620 2.058 ( 3.771 -0.881 0.491) 3.904 2.118 ( 3.726 -4.368 -2.950) 6.454 2.298 ( -1.554 -1.402 0.317) 2.116 2.315 ( -1.414 -3.262 -2.152) 4.156 2.546 ( -3.532 1.874 0.290) 4.008 2.579 ( -0.670 -1.209 2.810) 3.131 2.705 ( -4.798 2.478 -0.977) 5.487 2.785 ( -1.324 -4.020 -0.427) 4.254 2.838 ( -3.186 0.603 0.946) 3.378 2.901 ( -0.418 -5.380 3.121) 6.233 3.067 ( 0.541 1.391 0.814) 1.700 3.111 ( 2.255 -2.435 1.278) 3.556 3.165 ( 2.925 5.539 3.106) 6.991 3.243 ( 4.044 -0.507 -1.313) 4.282 3.382 ( -0.177 2.068 -0.091) 2.078 3.435 ( 2.214 -2.288 -0.059) 3.185 3.694 ( 2.520 1.667 -0.370) 3.044 3.756 ( 3.965 -4.134 -2.620) 6.299 3.901 ( 0.172 4.119 1.629) 4.433 3.934 ( 0.930 1.936 -0.474) 2.199 4.108 ( -1.466 -0.240 3.105) 3.442 4.164 ( 0.090 -4.686 -0.691) 4.737 4.434 ( -0.449 1.248 0.061) 1.328 4.445 ( -0.271 0.055 -0.915) 0.956 4.578 ( -1.194 2.647 -0.061) 2.904 4.615 ( -0.195 -1.224 -2.089) 2.429 4.813 ( 0.122 0.320 -0.012) 0.343 4.825 ( 0.512 -0.899 -0.164) 1.047 5.033 ( -1.105 1.053 0.627) 1.650 5.037 ( -0.840 0.610 0.764) 1.289 6.602 ( -0.691 1.101 7.321) 7.436 6.614 ( -0.707 0.001 6.804) 6.840 6.750 ( -0.568 2.468 -6.321) 6.809 6.777 ( -0.231 -0.497 -7.704) 7.723 7.757 ( -1.362 0.228 7.691) 7.814 7.781 ( -1.685 -2.548 7.946) 8.513 7.927 ( -1.221 1.937 -5.564) 6.017 7.983 ( -1.104 -4.161 -7.487) 8.636 8.541 ( -1.382 2.285 -0.047) 2.671 8.576 ( -0.558 -0.887 -0.083) 1.051 8.640 ( -0.262 1.124 -0.686) 1.343 8.674 ( 0.868 -2.064 -0.095) 2.242 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 2.012 6.109 -0.255) 6.437 1.718 ( -0.450 0.407 -1.937) 2.030 1.816 ( 3.896 6.710 2.525) 8.160 1.839 ( 5.299 8.035 1.548) 9.749 1.882 ( 4.800 -2.182 -4.501) 6.932 2.029 ( 6.194 -6.626 -1.169) 9.145 2.138 ( 4.031 -0.069 -1.921) 4.466 2.191 ( 3.290 -3.816 -0.360) 5.052 2.259 ( -1.776 -0.939 0.446) 2.058 2.296 ( 0.545 -4.161 -1.403) 4.425 2.485 ( -2.843 3.962 0.979) 4.974 2.566 ( -0.909 -2.852 1.827) 3.507 2.597 ( -5.658 2.760 -0.118) 6.296 2.705 ( -5.412 -6.999 0.757) 8.880 2.807 ( -1.199 2.638 -0.168) 2.902 2.881 ( -1.939 -5.355 2.259) 6.127 3.085 ( 1.004 3.064 1.376) 3.505 3.154 ( 1.596 -3.820 1.137) 4.293 3.244 ( 3.793 4.742 2.397) 6.528 3.322 ( 2.571 -3.558 0.250) 4.397 3.413 ( 4.594 6.569 -1.045) 8.084 3.499 ( 4.416 -2.292 0.701) 5.024 3.757 ( 3.653 3.361 -1.705) 5.248 3.827 ( 2.953 -2.646 -2.378) 4.623 3.911 ( 1.244 3.185 0.344) 3.437 3.961 ( 1.538 0.931 -0.120) 1.802 4.075 ( -2.455 0.526 3.253) 4.109 4.159 ( -0.709 -5.722 0.189) 5.769 4.418 ( -1.229 1.653 1.437) 2.512 4.433 ( -0.827 -0.002 0.701) 1.084 4.551 ( -1.220 3.425 -1.694) 4.011 4.601 ( -0.677 -1.791 -3.373) 3.879 4.817 ( 0.243 0.420 0.013) 0.485 4.833 ( 0.260 -1.210 0.041) 1.239 5.007 ( -1.491 1.007 0.338) 1.831 5.017 ( -1.289 -0.001 0.519) 1.389 6.596 ( -0.965 0.915 6.417) 6.553 6.604 ( -1.237 0.190 6.122) 6.249 6.728 ( -0.721 2.712 -5.088) 5.810 6.760 ( -0.247 -0.804 -6.707) 6.760 7.726 ( -2.656 0.163 5.863) 6.439 7.749 ( -2.645 -2.390 6.511) 7.423 7.896 ( -1.072 2.164 -4.239) 4.879 7.947 ( -1.376 -3.422 -5.615) 6.718 8.522 ( -0.496 1.959 0.615) 2.113 8.559 ( -0.742 -1.892 0.657) 2.136 8.640 ( 0.076 2.221 -1.221) 2.536 8.682 ( -0.116 -2.143 -0.727) 2.266 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.399 3.155 -1.516) 3.523 1.705 ( -0.689 0.573 -1.665) 1.891 1.888 ( 2.605 4.080 1.349) 5.025 1.948 ( 4.331 8.724 -0.895) 9.781 1.959 ( 3.462 -2.957 0.649) 4.599 2.112 ( 1.467 -5.022 -0.357) 5.244 2.193 ( 1.380 -1.834 0.196) 2.303 2.228 ( 0.540 -3.767 5.585) 6.759 2.273 ( 3.893 3.077 -2.238) 5.443 2.344 ( 3.383 -4.572 -2.029) 6.039 2.429 ( -2.837 4.610 -0.719) 5.461 2.503 ( -3.153 0.268 -1.645) 3.566 2.557 ( -0.443 -3.362 2.518) 4.223 2.612 ( -3.247 -5.987 1.925) 7.078 2.781 ( -0.903 1.423 -2.806) 3.274 2.837 ( -2.533 -4.711 -0.227) 5.353 3.109 ( 1.227 3.720 1.745) 4.288 3.171 ( 0.024 -2.481 0.224) 2.492 3.303 ( 1.983 2.896 0.946) 3.635 3.345 ( 0.557 -1.571 -0.629) 1.781 3.540 ( 7.023 4.707 -0.102) 8.455 3.605 ( 5.439 -1.425 1.192) 5.747 3.805 ( 0.866 4.780 -1.795) 5.179 3.853 ( 0.263 -0.498 -0.745) 0.934 3.950 ( 1.724 0.973 0.819) 2.142 3.981 ( -0.519 4.817 0.659) 4.890 4.037 ( -0.046 -3.081 0.074) 3.082 4.126 ( -2.946 -6.047 0.907) 6.787 4.400 ( -0.665 1.903 3.519) 4.056 4.422 ( -0.412 -0.256 3.348) 3.383 4.529 ( -0.631 3.553 -3.264) 4.866 4.579 ( -0.996 -1.556 -4.351) 4.727 4.822 ( 0.319 0.009 -0.075) 0.327 4.834 ( -0.129 -1.196 -0.039) 1.204 4.982 ( -0.941 0.606 0.270) 1.151 4.992 ( -1.151 -0.420 0.248) 1.251 6.585 ( -1.159 0.920 5.543) 5.737 6.590 ( -1.048 0.334 6.450) 6.543 6.710 ( -0.254 2.904 -4.201) 5.113 6.748 ( 0.152 -1.184 -6.247) 6.360 7.683 ( -2.338 0.201 5.562) 6.037 7.705 ( -2.588 -2.013 5.017) 5.993 7.878 ( -0.018 1.900 -3.478) 3.963 7.916 ( -0.828 -2.173 -4.777) 5.313 8.526 ( 0.791 1.677 1.497) 2.383 8.559 ( 0.655 -1.719 1.410) 2.317 8.631 ( -0.719 1.869 -2.106) 2.906 8.667 ( -1.072 -1.885 -1.950) 2.917 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -1.425 2.138 0.876) 2.715 1.686 ( -0.694 1.038 -0.347) 1.296 1.919 ( 0.194 3.018 1.864) 3.552 1.950 ( -1.719 1.838 -1.316) 2.840 2.050 ( 3.336 -1.235 2.229) 4.198 2.081 ( -3.441 -2.449 -0.918) 4.322 2.204 ( -3.659 1.414 7.279) 8.269 2.225 ( 0.082 -0.274 4.548) 4.557 2.331 ( 0.375 -0.189 -1.234) 1.303 2.363 ( -1.728 -4.767 -0.200) 5.075 2.414 ( 2.635 4.846 -4.453) 7.089 2.488 ( 2.954 -3.002 -7.409) 8.522 2.554 ( 0.632 0.047 3.807) 3.859 2.607 ( 0.615 -5.514 1.464) 5.738 2.783 ( 1.991 -1.640 -3.617) 4.443 2.798 ( -0.270 -3.390 -3.949) 5.212 3.139 ( 1.461 2.439 1.255) 3.108 3.160 ( -0.830 0.187 -0.892) 1.232 3.331 ( 0.999 1.467 0.024) 1.775 3.350 ( 0.008 -0.369 -1.607) 1.649 3.638 ( -0.645 3.105 1.629) 3.565 3.656 ( 0.509 1.433 -0.228) 1.538 3.805 ( -2.752 3.032 1.981) 4.548 3.835 ( 1.255 -0.287 -1.200) 1.760 3.951 ( -1.253 2.807 2.087) 3.716 3.983 ( 1.918 4.419 -0.801) 4.883 4.045 ( -4.148 -4.778 2.390) 6.764 4.086 ( 2.744 -4.933 -1.588) 5.864 4.407 ( 0.621 2.231 4.405) 4.976 4.435 ( 1.105 -0.660 4.197) 4.390 4.510 ( -0.838 2.736 -3.224) 4.311 4.547 ( -1.429 -0.992 -4.232) 4.576 4.827 ( -0.067 -0.308 0.001) 0.315 4.833 ( 0.355 -0.978 -0.656) 1.230 4.975 ( 0.103 -0.017 0.390) 0.403 4.977 ( -0.235 -0.268 0.130) 0.379 6.572 ( -1.001 1.234 5.774) 5.989 6.582 ( -0.906 0.159 6.645) 6.709 6.708 ( 0.732 2.990 -4.100) 5.127 6.749 ( 0.939 -1.385 -6.327) 6.544 7.658 ( -1.155 0.066 6.241) 6.347 7.673 ( -1.217 -1.506 4.885) 5.255 7.887 ( 1.577 1.032 -3.729) 4.178 7.905 ( 0.545 -0.822 -5.088) 5.182 8.553 ( 1.497 1.793 1.949) 3.042 8.582 ( 0.811 -0.630 0.563) 1.171 8.611 ( -0.502 0.637 -1.585) 1.780 8.640 ( -1.025 -1.828 -3.138) 3.773 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -2.451 4.115 2.891) 5.595 1.674 ( -0.630 0.484 1.848) 2.012 1.890 ( -3.913 3.470 3.353) 6.213 1.898 ( -3.446 1.988 0.582) 4.021 1.995 ( -4.300 1.020 -1.550) 4.683 2.066 ( -3.641 -2.116 3.386) 5.404 2.148 ( -0.804 -0.835 2.969) 3.187 2.215 ( -2.318 -4.068 4.296) 6.354 2.280 ( -2.613 0.188 -1.398) 2.969 2.323 ( -2.646 -3.304 -0.348) 4.247 2.486 ( 4.206 3.066 -3.414) 6.225 2.549 ( 2.862 -3.426 -2.428) 5.081 2.591 ( 1.413 0.589 -2.280) 2.747 2.624 ( 3.302 -2.032 -1.114) 4.034 2.806 ( 2.354 -0.664 -4.935) 5.508 2.859 ( 4.475 -5.252 -2.390) 7.303 3.137 ( -1.179 2.523 -1.287) 3.067 3.168 ( 1.006 -0.645 0.080) 1.198 3.331 ( -1.343 2.182 -1.484) 2.961 3.349 ( 0.337 0.083 -0.985) 1.044 3.529 ( -7.690 6.129 1.030) 9.888 3.614 ( -5.122 -2.224 0.383) 5.597 3.760 ( -2.388 4.724 2.829) 6.002 3.837 ( -1.651 -1.434 0.817) 2.334 3.925 ( -3.369 -0.853 3.023) 4.606 3.977 ( -0.639 -2.811 0.657) 2.956 4.051 ( 3.927 4.189 -0.864) 5.806 4.135 ( 1.823 -3.571 0.099) 4.011 4.434 ( 1.172 2.693 3.156) 4.311 4.462 ( 0.358 0.196 -0.683) 0.795 4.497 ( 0.571 0.672 0.585) 1.058 4.519 ( -0.457 -0.922 -1.948) 2.203 4.824 ( -0.154 0.353 -0.324) 0.504 4.840 ( 0.222 -1.293 -0.567) 1.430 4.981 ( 0.727 0.442 0.329) 0.912 4.990 ( 1.098 -0.382 0.496) 1.264 6.566 ( -0.501 1.232 6.204) 6.345 6.576 ( -0.705 0.120 6.963) 7.000 6.724 ( 1.573 2.948 -4.659) 5.733 6.764 ( 1.534 -1.261 -6.656) 6.946 7.658 ( 0.118 0.170 6.534) 6.537 7.677 ( 0.675 -1.835 6.429) 6.720 7.920 ( 1.749 0.385 -5.801) 6.071 7.925 ( 2.844 -0.231 -4.740) 5.532 8.562 ( -1.037 1.807 -1.506) 2.571 8.587 ( 0.455 0.577 -0.538) 0.910 8.608 ( 0.182 0.312 -0.666) 0.757 8.648 ( 1.921 -2.412 -0.611) 3.143 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -2.304 6.766 5.543) 9.045 1.675 ( 0.459 1.068 3.322) 3.520 1.781 ( -6.848 2.219 4.555) 8.519 1.831 ( -3.094 1.069 0.562) 3.322 1.899 ( -5.022 5.565 -2.759) 7.987 1.988 ( -4.267 -0.256 1.292) 4.466 2.116 ( -3.327 -4.607 1.860) 5.979 2.165 ( -2.428 -6.566 -0.520) 7.020 2.266 ( 0.680 0.289 -0.281) 0.790 2.279 ( -1.136 -1.565 1.095) 2.222 2.537 ( 1.678 1.405 -2.321) 3.190 2.591 ( 2.093 -4.045 -0.634) 4.598 2.637 ( 4.013 2.778 -3.580) 6.053 2.713 ( 4.889 -3.305 -0.866) 5.965 2.846 ( 1.764 1.553 -3.834) 4.497 2.925 ( 2.229 -5.552 -2.223) 6.383 3.107 ( -1.576 3.457 -1.086) 3.951 3.171 ( -0.813 -3.137 -0.892) 3.361 3.279 ( -3.977 5.765 -0.179) 7.006 3.331 ( -3.429 -0.280 -0.671) 3.506 3.402 ( -3.262 6.233 -0.160) 7.037 3.512 ( -4.552 -4.008 -0.526) 6.088 3.705 ( -3.007 1.880 3.237) 4.801 3.777 ( -4.342 -4.960 2.855) 7.184 3.884 ( -0.949 4.901 2.298) 5.495 3.967 ( -0.789 -2.137 0.111) 2.281 4.115 ( 2.260 0.861 -0.837) 2.560 4.156 ( 0.361 -2.135 0.502) 2.223 4.443 ( -0.338 1.591 0.098) 1.630 4.451 ( -0.390 0.668 -2.008) 2.151 4.530 ( 2.353 0.516 0.125) 2.412 4.543 ( 2.156 -0.514 2.270) 3.173 4.820 ( -0.217 0.590 -0.336) 0.712 4.837 ( -0.416 -1.229 -0.355) 1.345 5.003 ( 1.287 1.055 0.693) 1.803 5.015 ( 1.284 -0.150 0.650) 1.446 6.572 ( 0.065 0.975 6.753) 6.824 6.578 ( -0.210 0.263 7.406) 7.414 6.749 ( 1.644 2.748 -5.589) 6.441 6.783 ( 1.469 -0.932 -7.317) 7.521 7.682 ( 1.145 0.560 7.246) 7.357 7.714 ( 1.688 -2.859 7.951) 8.616 7.947 ( 1.806 1.332 -6.704) 7.069 7.975 ( 2.843 -1.742 -6.122) 6.971 8.544 ( -0.295 2.112 -1.517) 2.617 8.580 ( -0.244 -1.458 -1.345) 1.998 8.626 ( 0.959 2.708 -0.080) 2.874 8.680 ( 1.148 -2.654 -0.718) 2.979 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -1.900 7.989 8.544) 11.851 1.673 ( -3.934 4.826 5.183) 8.101 1.702 ( 1.011 -1.092 4.682) 4.913 1.793 ( -0.324 -0.673 -2.323) 2.440 1.808 ( -3.075 7.431 -4.877) 9.406 1.905 ( -3.726 -0.135 -0.826) 3.819 2.050 ( -3.191 -2.774 1.024) 4.350 2.114 ( -2.372 -5.576 -3.150) 6.830 2.274 ( 0.880 -0.122 2.125) 2.303 2.306 ( 2.307 -2.779 0.038) 3.612 2.558 ( 0.810 2.424 -0.821) 2.684 2.632 ( 1.729 -4.317 -1.923) 5.033 2.709 ( 3.315 2.205 -1.535) 4.267 2.796 ( 2.832 -6.320 0.534) 6.946 2.852 ( 0.096 4.243 -2.333) 4.843 2.935 ( -0.821 -3.978 -0.678) 4.118 3.081 ( -0.707 2.181 -0.674) 2.390 3.134 ( -2.870 -2.559 -0.955) 3.962 3.188 ( -4.341 6.890 2.751) 8.595 3.242 ( -3.692 1.361 -2.792) 4.825 3.387 ( 0.299 1.513 -0.448) 1.606 3.442 ( -2.570 -3.414 -0.684) 4.328 3.672 ( -0.673 -0.522 1.756) 1.951 3.705 ( -2.854 -4.046 2.285) 5.453 3.880 ( 0.022 5.376 2.475) 5.918 3.948 ( -0.937 -0.688 -0.404) 1.231 4.134 ( -0.046 -0.662 0.811) 1.048 4.159 ( 0.208 -2.212 -0.767) 2.351 4.437 ( -0.130 1.170 -0.249) 1.204 4.447 ( 0.094 0.140 -1.307) 1.317 4.574 ( 1.634 1.042 1.191) 2.274 4.585 ( 1.815 -0.049 0.053) 1.816 4.815 ( -0.097 0.242 -0.322) 0.414 4.825 ( -0.664 -0.794 -0.168) 1.049 5.028 ( 1.027 1.288 1.032) 1.944 5.038 ( 0.821 0.340 0.733) 1.152 6.586 ( 0.107 0.892 7.581) 7.634 6.592 ( 0.327 0.280 7.524) 7.536 6.766 ( 0.997 2.499 -6.522) 7.055 6.794 ( 0.853 -0.604 -8.068) 8.136 7.720 ( 1.321 0.767 8.133) 8.275 7.759 ( 1.329 -3.517 9.000) 9.754 7.962 ( 0.815 1.890 -7.261) 7.547 8.008 ( 1.519 -3.157 -7.616) 8.383 8.548 ( 0.754 2.180 -0.574) 2.377 8.579 ( 0.044 -0.576 -0.364) 0.683 8.638 ( 0.456 1.854 -0.676) 2.025 8.685 ( -0.424 -2.545 -1.318) 2.897 =================== 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 10.0 667.758 1001.782 784.448 0.000 74.693 0.000 3/18816 20.0 94.943 152.899 92.290 0.000 4.208 0.000 3/18816 30.0 34.044 54.172 32.065 0.000 1.133 0.000 3/18816 40.0 18.693 29.188 17.443 0.000 0.471 0.000 3/18816 50.0 12.541 19.340 11.690 0.000 0.236 0.000 3/18816 60.0 9.379 14.356 8.778 0.000 0.129 0.000 3/18816 70.0 7.490 11.408 7.060 0.000 0.073 0.000 3/18816 80.0 6.241 9.475 5.938 0.000 0.041 0.000 3/18816 90.0 5.357 8.113 5.149 0.000 0.021 0.000 3/18816 100.0 4.699 7.104 4.563 0.000 0.008 0.000 3/18816 110.0 4.189 6.324 4.109 0.000 -0.001 0.000 3/18816 120.0 3.783 5.705 3.745 0.000 -0.007 0.000 3/18816 130.0 3.451 5.200 3.447 0.000 -0.011 0.000 3/18816 140.0 3.175 4.780 3.196 0.000 -0.013 0.000 3/18816 150.0 2.941 4.425 2.982 0.000 -0.015 0.000 3/18816 160.0 2.740 4.120 2.796 0.000 -0.017 0.000 3/18816 170.0 2.566 3.857 2.634 0.000 -0.017 0.000 3/18816 180.0 2.413 3.626 2.490 0.000 -0.018 0.000 3/18816 190.0 2.278 3.421 2.362 0.000 -0.018 0.000 3/18816 200.0 2.158 3.240 2.247 0.000 -0.019 0.000 3/18816 210.0 2.050 3.077 2.143 0.000 -0.019 0.000 3/18816 220.0 1.952 2.930 2.049 0.000 -0.019 0.000 3/18816 230.0 1.864 2.797 1.963 0.000 -0.018 0.000 3/18816 240.0 1.783 2.675 1.883 0.000 -0.018 0.000 3/18816 250.0 1.710 2.564 1.811 0.000 -0.018 0.000 3/18816 260.0 1.642 2.462 1.743 0.000 -0.018 0.000 3/18816 270.0 1.579 2.368 1.681 0.000 -0.017 0.000 3/18816 280.0 1.521 2.281 1.623 0.000 -0.017 0.000 3/18816 290.0 1.468 2.200 1.569 0.000 -0.017 0.000 3/18816 300.0 1.418 2.125 1.518 0.000 -0.017 0.000 3/18816 310.0 1.371 2.055 1.471 0.000 -0.016 0.000 3/18816 320.0 1.327 1.990 1.426 0.000 -0.016 0.000 3/18816 330.0 1.287 1.928 1.384 0.000 -0.016 0.000 3/18816 340.0 1.248 1.870 1.345 0.000 -0.015 0.000 3/18816 350.0 1.212 1.816 1.307 0.000 -0.015 0.000 3/18816 360.0 1.178 1.765 1.272 0.000 -0.015 0.000 3/18816 370.0 1.146 1.716 1.239 0.000 -0.015 0.000 3/18816 380.0 1.115 1.671 1.207 0.000 -0.014 0.000 3/18816 390.0 1.086 1.627 1.177 0.000 -0.014 0.000 3/18816 400.0 1.059 1.586 1.148 0.000 -0.014 0.000 3/18816 410.0 1.033 1.547 1.121 0.000 -0.014 0.000 3/18816 420.0 1.008 1.510 1.095 0.000 -0.013 0.000 3/18816 430.0 0.984 1.474 1.070 0.000 -0.013 0.000 3/18816 440.0 0.962 1.441 1.047 0.000 -0.013 0.000 3/18816 450.0 0.940 1.408 1.024 0.000 -0.013 0.000 3/18816 460.0 0.920 1.377 1.002 0.000 -0.012 0.000 3/18816 470.0 0.900 1.348 0.981 0.000 -0.012 0.000 3/18816 480.0 0.881 1.320 0.962 0.000 -0.012 0.000 3/18816 490.0 0.863 1.293 0.942 0.000 -0.012 0.000 3/18816 500.0 0.846 1.267 0.924 0.000 -0.012 0.000 3/18816 510.0 0.829 1.242 0.906 0.000 -0.012 0.000 3/18816 520.0 0.813 1.218 0.889 0.000 -0.011 0.000 3/18816 530.0 0.798 1.194 0.873 0.000 -0.011 0.000 3/18816 540.0 0.783 1.172 0.857 0.000 -0.011 0.000 3/18816 550.0 0.769 1.151 0.842 0.000 -0.011 0.000 3/18816 560.0 0.755 1.130 0.827 0.000 -0.011 0.000 3/18816 570.0 0.741 1.110 0.813 0.000 -0.010 0.000 3/18816 580.0 0.729 1.091 0.799 0.000 -0.010 0.000 3/18816 590.0 0.716 1.073 0.786 0.000 -0.010 0.000 3/18816 600.0 0.704 1.055 0.773 0.000 -0.010 0.000 3/18816 610.0 0.693 1.037 0.761 0.000 -0.010 0.000 3/18816 620.0 0.682 1.020 0.749 0.000 -0.010 0.000 3/18816 630.0 0.671 1.004 0.737 0.000 -0.010 0.000 3/18816 640.0 0.660 0.988 0.726 0.000 -0.010 0.000 3/18816 650.0 0.650 0.973 0.715 0.000 -0.009 0.000 3/18816 660.0 0.640 0.958 0.704 0.000 -0.009 0.000 3/18816 670.0 0.631 0.944 0.694 0.000 -0.009 0.000 3/18816 680.0 0.621 0.930 0.684 0.000 -0.009 0.000 3/18816 690.0 0.612 0.917 0.674 0.000 -0.009 0.000 3/18816 700.0 0.604 0.904 0.664 0.000 -0.009 0.000 3/18816 710.0 0.595 0.891 0.655 0.000 -0.009 0.000 3/18816 720.0 0.587 0.878 0.646 0.000 -0.009 0.000 3/18816 730.0 0.579 0.866 0.638 0.000 -0.008 0.000 3/18816 740.0 0.571 0.855 0.629 0.000 -0.008 0.000 3/18816 750.0 0.563 0.843 0.621 0.000 -0.008 0.000 3/18816 760.0 0.556 0.832 0.613 0.000 -0.008 0.000 3/18816 770.0 0.549 0.821 0.605 0.000 -0.008 0.000 3/18816 780.0 0.542 0.811 0.597 0.000 -0.008 0.000 3/18816 790.0 0.535 0.801 0.590 0.000 -0.008 0.000 3/18816 800.0 0.528 0.791 0.583 0.000 -0.008 0.000 3/18816 810.0 0.522 0.781 0.576 0.000 -0.008 0.000 3/18816 820.0 0.515 0.771 0.569 0.000 -0.008 0.000 3/18816 830.0 0.509 0.762 0.562 0.000 -0.008 0.000 3/18816 840.0 0.503 0.753 0.555 0.000 -0.007 0.000 3/18816 850.0 0.497 0.744 0.549 0.000 -0.007 0.000 3/18816 860.0 0.491 0.735 0.543 0.000 -0.007 0.000 3/18816 870.0 0.486 0.727 0.536 0.000 -0.007 0.000 3/18816 880.0 0.480 0.719 0.530 0.000 -0.007 0.000 3/18816 890.0 0.475 0.711 0.525 0.000 -0.007 0.000 3/18816 900.0 0.469 0.703 0.519 0.000 -0.007 0.000 3/18816 910.0 0.464 0.695 0.513 0.000 -0.007 0.000 3/18816 920.0 0.459 0.687 0.508 0.000 -0.007 0.000 3/18816 930.0 0.454 0.680 0.502 0.000 -0.007 0.000 3/18816 940.0 0.449 0.673 0.497 0.000 -0.007 0.000 3/18816 950.0 0.445 0.666 0.492 0.000 -0.007 0.000 3/18816 960.0 0.440 0.659 0.487 0.000 -0.007 0.000 3/18816 970.0 0.436 0.652 0.482 0.000 -0.007 0.000 3/18816 980.0 0.431 0.645 0.477 0.000 -0.006 0.000 3/18816 990.0 0.427 0.639 0.472 0.000 -0.006 0.000 3/18816 1000.0 0.422 0.632 0.468 0.000 -0.006 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:42:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|