----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:36:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.326949550004374 -7.818203664999999 0.000000000000000 b 3.326949550004374 7.818203664999999 0.000000000000000 c -2.119545593434887 0.000000000000000 5.620005342940399 Atomic positions (fractional): *1 B 0.50719117286411 0.54640984360157 0.44138787405668 10.811 2 B 0.54640984360157 0.50719117286411 0.94138787405668 10.811 *3 B 0.39898384303144 0.13137807270886 0.12697203376059 10.811 4 B 0.13137807270886 0.39898384303144 0.62697203376059 10.811 *5 S 0.69375174202878 0.71928892210974 0.25607570753092 32.065 *6 S 0.56996754543044 0.29666798943598 0.94424552025823 32.065 *7 S 0.85319762403493 0.28714362903103 0.57649579540120 32.065 8 S 0.28714362903103 0.85319762403493 0.07649579540120 32.065 *9 S 0.31615743356617 0.21917485599462 0.33182014711536 32.065 10 S 0.21917485599462 0.31615743356618 0.83182014711536 32.065 11 S 0.29666798943598 0.56996754543044 0.44424552025823 32.065 12 S 0.71928892210974 0.69375174202878 0.75607570753092 32.065 *13 Ba 0.80062631804259 0.10926102811974 0.04092290187702 137.327 14 Ba 0.10926102811974 0.80062631804259 0.54092290187702 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.653899100008749 0.000000000000000 0.000000000000000 b 0.000000000000000 15.636407329999997 0.000000000000000 c -2.119545593434887 0.000000000000000 5.620005342940399 Atomic positions (fractional): *1 B 0.52680050823284 0.01960933536873 0.44138787405668 10.811 > 1 2 B 0.02680050823284 0.48039066463127 0.94138787405668 10.811 > 2 *3 B 0.76518095787015 0.36619711483871 0.12697203376059 10.811 > 3 4 B 0.26518095787015 0.13380288516129 0.62697203376059 10.811 > 4 5 B 0.02680050823284 0.51960933536873 0.44138787405668 10.811 > 1 6 B 0.52680050823284 0.98039066463127 0.94138787405668 10.811 > 2 7 B 0.26518095787015 0.86619711483871 0.12697203376059 10.811 > 3 8 B 0.76518095787015 0.63380288516129 0.62697203376059 10.811 > 4 *9 S 0.70652033206926 0.01276859004048 0.25607570753092 32.065 > 5 *10 S 0.93331776743321 0.36335022200277 0.94424552025823 32.065 > 6 *11 S 0.07017062653298 0.21697300249805 0.57649579540120 32.065 > 7 12 S 0.57017062653298 0.28302699750195 0.07649579540120 32.065 > 8 *13 S 0.76766614478040 0.45150871121422 0.33182014711536 32.065 > 9 14 S 0.26766614478040 0.04849128878578 0.83182014711536 32.065 > 10 15 S 0.43331776743321 0.13664977799723 0.44424552025823 32.065 > 11 16 S 0.20652033206926 0.48723140995952 0.75607570753092 32.065 > 12 17 S 0.20652033206926 0.51276859004048 0.25607570753092 32.065 > 5 18 S 0.43331776743321 0.86335022200277 0.94424552025823 32.065 > 6 19 S 0.57017062653298 0.71697300249805 0.57649579540120 32.065 > 7 20 S 0.07017062653298 0.78302699750195 0.07649579540120 32.065 > 8 21 S 0.26766614478040 0.95150871121422 0.33182014711536 32.065 > 9 22 S 0.76766614478040 0.54849128878578 0.83182014711536 32.065 > 10 23 S 0.93331776743321 0.63664977799723 0.44424552025823 32.065 > 11 24 S 0.70652033206926 0.98723140995952 0.75607570753092 32.065 > 12 *25 Ba 0.95494367308117 0.15431735503858 0.04092290187702 137.327 > 13 26 Ba 0.45494367308117 0.34568264496142 0.54092290187702 137.327 > 14 27 Ba 0.45494367308117 0.65431735503858 0.04092290187702 137.327 > 13 28 Ba 0.95494367308117 0.84568264496142 0.54092290187702 137.327 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.307798200017498 0.000000000000000 0.000000000000000 b 0.000000000000000 15.636407329999997 0.000000000000000 c -4.239091186869774 0.000000000000000 11.240010685880797 Atomic positions (fractional): *1 B 0.26340025411642 0.01960933536873 0.22069393702834 10.811 > 1 2 B 0.76340025411642 0.01960933536873 0.22069393702834 10.811 > 1 3 B 0.26340025411642 0.01960933536873 0.72069393702834 10.811 > 1 4 B 0.76340025411642 0.01960933536873 0.72069393702834 10.811 > 1 5 B 0.01340025411642 0.48039066463127 0.47069393702834 10.811 > 2 6 B 0.51340025411642 0.48039066463127 0.47069393702834 10.811 > 2 7 B 0.01340025411642 0.48039066463127 0.97069393702834 10.811 > 2 8 B 0.51340025411642 0.48039066463127 0.97069393702834 10.811 > 2 *9 B 0.38259047893507 0.36619711483871 0.06348601688029 10.811 > 3 10 B 0.88259047893507 0.36619711483871 0.06348601688029 10.811 > 3 11 B 0.38259047893507 0.36619711483871 0.56348601688029 10.811 > 3 12 B 0.88259047893507 0.36619711483871 0.56348601688029 10.811 > 3 13 B 0.13259047893508 0.13380288516129 0.31348601688029 10.811 > 4 14 B 0.63259047893508 0.13380288516129 0.31348601688029 10.811 > 4 15 B 0.13259047893508 0.13380288516129 0.81348601688029 10.811 > 4 16 B 0.63259047893508 0.13380288516129 0.81348601688029 10.811 > 4 17 B 0.01340025411642 0.51960933536873 0.22069393702834 10.811 > 1 18 B 0.51340025411642 0.51960933536873 0.22069393702834 10.811 > 1 19 B 0.01340025411642 0.51960933536873 0.72069393702834 10.811 > 1 20 B 0.51340025411642 0.51960933536873 0.72069393702834 10.811 > 1 21 B 0.26340025411642 0.98039066463127 0.47069393702834 10.811 > 2 22 B 0.76340025411642 0.98039066463127 0.47069393702834 10.811 > 2 23 B 0.26340025411642 0.98039066463127 0.97069393702834 10.811 > 2 24 B 0.76340025411642 0.98039066463127 0.97069393702834 10.811 > 2 25 B 0.13259047893508 0.86619711483871 0.06348601688029 10.811 > 3 26 B 0.63259047893508 0.86619711483871 0.06348601688029 10.811 > 3 27 B 0.13259047893508 0.86619711483871 0.56348601688029 10.811 > 3 28 B 0.63259047893508 0.86619711483871 0.56348601688029 10.811 > 3 29 B 0.38259047893507 0.63380288516129 0.31348601688029 10.811 > 4 30 B 0.88259047893507 0.63380288516129 0.31348601688029 10.811 > 4 31 B 0.38259047893507 0.63380288516129 0.81348601688029 10.811 > 4 32 B 0.88259047893507 0.63380288516129 0.81348601688029 10.811 > 4 *33 S 0.35326016603463 0.01276859004048 0.12803785376546 32.065 > 5 34 S 0.85326016603463 0.01276859004048 0.12803785376546 32.065 > 5 35 S 0.35326016603463 0.01276859004048 0.62803785376546 32.065 > 5 36 S 0.85326016603463 0.01276859004048 0.62803785376546 32.065 > 5 *37 S 0.46665888371661 0.36335022200277 0.47212276012912 32.065 > 6 38 S 0.96665888371661 0.36335022200277 0.47212276012912 32.065 > 6 39 S 0.46665888371661 0.36335022200277 0.97212276012912 32.065 > 6 40 S 0.96665888371661 0.36335022200277 0.97212276012912 32.065 > 6 *41 S 0.03508531326649 0.21697300249805 0.28824789770060 32.065 > 7 42 S 0.53508531326649 0.21697300249805 0.28824789770060 32.065 > 7 43 S 0.03508531326649 0.21697300249805 0.78824789770060 32.065 > 7 44 S 0.53508531326649 0.21697300249805 0.78824789770060 32.065 > 7 45 S 0.28508531326649 0.28302699750195 0.03824789770060 32.065 > 8 46 S 0.78508531326649 0.28302699750195 0.03824789770060 32.065 > 8 47 S 0.28508531326649 0.28302699750195 0.53824789770060 32.065 > 8 48 S 0.78508531326649 0.28302699750195 0.53824789770060 32.065 > 8 *49 S 0.38383307239020 0.45150871121422 0.16591007355768 32.065 > 9 50 S 0.88383307239020 0.45150871121422 0.16591007355768 32.065 > 9 51 S 0.38383307239020 0.45150871121422 0.66591007355768 32.065 > 9 52 S 0.88383307239020 0.45150871121422 0.66591007355768 32.065 > 9 53 S 0.13383307239020 0.04849128878578 0.41591007355768 32.065 > 10 54 S 0.63383307239020 0.04849128878578 0.41591007355768 32.065 > 10 55 S 0.13383307239020 0.04849128878578 0.91591007355768 32.065 > 10 56 S 0.63383307239020 0.04849128878578 0.91591007355768 32.065 > 10 57 S 0.21665888371660 0.13664977799723 0.22212276012912 32.065 > 11 58 S 0.71665888371661 0.13664977799723 0.22212276012912 32.065 > 11 59 S 0.21665888371660 0.13664977799723 0.72212276012912 32.065 > 11 60 S 0.71665888371661 0.13664977799723 0.72212276012912 32.065 > 11 61 S 0.10326016603463 0.48723140995952 0.37803785376546 32.065 > 12 62 S 0.60326016603463 0.48723140995952 0.37803785376546 32.065 > 12 63 S 0.10326016603463 0.48723140995952 0.87803785376546 32.065 > 12 64 S 0.60326016603463 0.48723140995952 0.87803785376546 32.065 > 12 65 S 0.10326016603463 0.51276859004048 0.12803785376546 32.065 > 5 66 S 0.60326016603463 0.51276859004048 0.12803785376546 32.065 > 5 67 S 0.10326016603463 0.51276859004048 0.62803785376546 32.065 > 5 68 S 0.60326016603463 0.51276859004048 0.62803785376546 32.065 > 5 69 S 0.21665888371660 0.86335022200277 0.47212276012912 32.065 > 6 70 S 0.71665888371661 0.86335022200277 0.47212276012912 32.065 > 6 71 S 0.21665888371660 0.86335022200277 0.97212276012912 32.065 > 6 72 S 0.71665888371661 0.86335022200277 0.97212276012912 32.065 > 6 73 S 0.28508531326649 0.71697300249805 0.28824789770060 32.065 > 7 74 S 0.78508531326649 0.71697300249805 0.28824789770060 32.065 > 7 75 S 0.28508531326649 0.71697300249805 0.78824789770060 32.065 > 7 76 S 0.78508531326649 0.71697300249805 0.78824789770060 32.065 > 7 77 S 0.03508531326649 0.78302699750195 0.03824789770060 32.065 > 8 78 S 0.53508531326649 0.78302699750195 0.03824789770060 32.065 > 8 79 S 0.03508531326649 0.78302699750195 0.53824789770060 32.065 > 8 80 S 0.53508531326649 0.78302699750195 0.53824789770060 32.065 > 8 81 S 0.13383307239020 0.95150871121422 0.16591007355768 32.065 > 9 82 S 0.63383307239020 0.95150871121422 0.16591007355768 32.065 > 9 83 S 0.13383307239020 0.95150871121422 0.66591007355768 32.065 > 9 84 S 0.63383307239020 0.95150871121422 0.66591007355768 32.065 > 9 85 S 0.38383307239020 0.54849128878578 0.41591007355768 32.065 > 10 86 S 0.88383307239020 0.54849128878578 0.41591007355768 32.065 > 10 87 S 0.38383307239020 0.54849128878578 0.91591007355768 32.065 > 10 88 S 0.88383307239020 0.54849128878578 0.91591007355768 32.065 > 10 89 S 0.46665888371661 0.63664977799723 0.22212276012912 32.065 > 11 90 S 0.96665888371661 0.63664977799723 0.22212276012912 32.065 > 11 91 S 0.46665888371661 0.63664977799723 0.72212276012912 32.065 > 11 92 S 0.96665888371661 0.63664977799723 0.72212276012912 32.065 > 11 93 S 0.35326016603463 0.98723140995952 0.37803785376546 32.065 > 12 94 S 0.85326016603463 0.98723140995952 0.37803785376546 32.065 > 12 95 S 0.35326016603463 0.98723140995952 0.87803785376546 32.065 > 12 96 S 0.85326016603463 0.98723140995952 0.87803785376546 32.065 > 12 *97 Ba 0.47747183654058 0.15431735503858 0.02046145093851 137.327 > 13 98 Ba 0.97747183654058 0.15431735503858 0.02046145093851 137.327 > 13 99 Ba 0.47747183654058 0.15431735503858 0.52046145093851 137.327 > 13 100 Ba 0.97747183654058 0.15431735503858 0.52046145093851 137.327 > 13 101 Ba 0.22747183654058 0.34568264496142 0.27046145093851 137.327 > 14 102 Ba 0.72747183654058 0.34568264496142 0.27046145093851 137.327 > 14 103 Ba 0.22747183654058 0.34568264496142 0.77046145093851 137.327 > 14 104 Ba 0.72747183654058 0.34568264496142 0.77046145093851 137.327 > 14 105 Ba 0.22747183654058 0.65431735503858 0.02046145093851 137.327 > 13 106 Ba 0.72747183654058 0.65431735503858 0.02046145093851 137.327 > 13 107 Ba 0.22747183654058 0.65431735503858 0.52046145093851 137.327 > 13 108 Ba 0.72747183654058 0.65431735503858 0.52046145093851 137.327 > 13 109 Ba 0.47747183654058 0.84568264496142 0.27046145093851 137.327 > 14 110 Ba 0.97747183654058 0.84568264496142 0.27046145093851 137.327 > 14 111 Ba 0.47747183654058 0.84568264496142 0.77046145093851 137.327 > 14 112 Ba 0.97747183654058 0.84568264496142 0.77046145093851 137.327 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9453313 0.0000000 -0.3560430 0.0000000 5.2026352 0.0000000 -0.3559270 0.0000000 5.2047703 -------------------------- Born effective charges -------------------------- 1 B 1.1165582 -0.3139068 -0.0528840 -0.0671009 1.5670001 0.0850096 -0.0167980 0.2769113 1.6391890 2 B 1.1165582 0.3139068 -0.0528840 0.0671009 1.5670001 -0.0850096 -0.0167980 -0.2769113 1.6391890 3 B 1.3868791 0.5321878 -0.5284344 0.6421106 1.6614694 0.8523992 -0.6754393 1.0091638 1.0347103 4 B 1.3868791 -0.5321878 -0.5284344 -0.6421106 1.6614694 -0.8523992 -0.6754393 -1.0091638 1.0347103 5 S -1.2086006 -0.0956032 0.2557902 0.0551854 -1.0147902 0.1214719 0.2352388 0.1663740 -1.6833028 6 S -1.3211473 -0.2919360 0.1665860 -0.3782222 -1.4618741 0.1296896 0.2910265 0.0555498 -1.1310118 7 S -1.6441587 0.3316005 0.1238622 0.5006970 -1.9140453 0.2730464 0.1879044 0.2902258 -1.5098465 8 S -1.6441587 -0.3316005 0.1238622 -0.5006970 -1.9140453 -0.2730464 0.1879044 -0.2902258 -1.5098465 9 S -1.0485095 -0.2256767 0.0795615 -0.1990157 -1.6510553 -0.5292550 0.1063292 -0.6566577 -1.1040276 10 S -1.0485095 0.2256767 0.0795615 0.1990157 -1.6510553 0.5292550 0.1063292 0.6566577 -1.1040276 11 S -1.3211473 0.2919360 0.1665860 0.3782222 -1.4618741 -0.1296896 0.2910265 -0.0555498 -1.1310118 12 S -1.2086006 0.0956032 0.2557902 -0.0551854 -1.0147902 -0.1214719 0.2352388 -0.1663740 -1.6833028 13 Ba 2.7189789 0.0919361 -0.0444816 -0.2906477 2.8132954 0.0219506 -0.1282617 0.2555293 2.7542893 14 Ba 2.7189789 -0.0919361 -0.0444816 0.2906477 2.8132954 -0.0219506 -0.1282617 -0.2555293 2.7542893 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3570 Number of blocks in projector: 3570 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 406 Use standard eigh solver. Tree of FC basis block matrices: - (3570, 3508), data: False |-- (406, 399), data: True |-- (406, 399), data: True |-- (406, 399), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.141 Solver_block: 200 / 880 - Time: 1.020 Solver_block: 300 / 880 - Time: 0.974 Solver_block: 400 / 880 - Time: 0.953 Solver_block: 500 / 880 - Time: 0.924 Solver_block: 600 / 880 - Time: 0.943 Solver_block: 700 / 880 - Time: 1.030 Solver_block: 800 / 880 - Time: 1.050 Solver_block: 880 / 880 - Time: 0.857 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.357 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yz) -0.00000000 (yz) Permutation basis: 336/336 Permutation basis: 8736/8736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3570 Number of blocks in projector: 3570 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 274 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 406 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 406 Use standard eigh solver. Tree of FC basis block matrices: - (3570, 3508), data: False |-- (406, 399), data: True |-- (406, 399), data: True |-- (406, 399), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 10), data: (784, 24) @ (24, 10) |-- (284, 274), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yz) -0.00000000 (yz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:37:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:37:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.326949550004374 -7.818203664999999 0.000000000000000 b 3.326949550004374 7.818203664999999 0.000000000000000 c -2.119545593434887 0.000000000000000 5.620005342940399 Atomic positions (fractional): 1 B 0.50719117286411 0.54640984360157 0.44138787405668 10.811 2 B 0.54640984360157 0.50719117286411 0.94138787405668 10.811 3 B 0.39898384303144 0.13137807270886 0.12697203376059 10.811 4 B 0.13137807270886 0.39898384303144 0.62697203376059 10.811 5 S 0.69375174202878 0.71928892210974 0.25607570753092 32.065 6 S 0.56996754543044 0.29666798943598 0.94424552025823 32.065 7 S 0.85319762403493 0.28714362903103 0.57649579540120 32.065 8 S 0.28714362903103 0.85319762403493 0.07649579540120 32.065 9 S 0.31615743356617 0.21917485599462 0.33182014711536 32.065 10 S 0.21917485599462 0.31615743356618 0.83182014711536 32.065 11 S 0.29666798943598 0.56996754543044 0.44424552025823 32.065 12 S 0.71928892210974 0.69375174202878 0.75607570753092 32.065 13 Ba 0.80062631804259 0.10926102811974 0.04092290187702 137.327 14 Ba 0.10926102811974 0.80062631804259 0.54092290187702 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.307798200017498 0.000000000000000 0.000000000000000 b 0.000000000000000 15.636407329999997 0.000000000000000 c -4.239091186869774 0.000000000000000 11.240010685880797 Atomic positions (fractional): 1 B 0.26340025411642 0.01960933536873 0.22069393702834 10.811 > 1 2 B 0.76340025411642 0.01960933536873 0.22069393702834 10.811 > 1 3 B 0.26340025411642 0.01960933536873 0.72069393702834 10.811 > 1 4 B 0.76340025411642 0.01960933536873 0.72069393702834 10.811 > 1 5 B 0.01340025411642 0.48039066463127 0.47069393702834 10.811 > 5 6 B 0.51340025411642 0.48039066463127 0.47069393702834 10.811 > 5 7 B 0.01340025411642 0.48039066463127 0.97069393702834 10.811 > 5 8 B 0.51340025411642 0.48039066463127 0.97069393702834 10.811 > 5 9 B 0.38259047893507 0.36619711483871 0.06348601688029 10.811 > 9 10 B 0.88259047893507 0.36619711483871 0.06348601688029 10.811 > 9 11 B 0.38259047893507 0.36619711483871 0.56348601688029 10.811 > 9 12 B 0.88259047893507 0.36619711483871 0.56348601688029 10.811 > 9 13 B 0.13259047893508 0.13380288516129 0.31348601688029 10.811 > 13 14 B 0.63259047893508 0.13380288516129 0.31348601688029 10.811 > 13 15 B 0.13259047893508 0.13380288516129 0.81348601688029 10.811 > 13 16 B 0.63259047893508 0.13380288516129 0.81348601688029 10.811 > 13 17 B 0.01340025411642 0.51960933536873 0.22069393702834 10.811 > 1 18 B 0.51340025411642 0.51960933536873 0.22069393702834 10.811 > 1 19 B 0.01340025411642 0.51960933536873 0.72069393702834 10.811 > 1 20 B 0.51340025411642 0.51960933536873 0.72069393702834 10.811 > 1 21 B 0.26340025411642 0.98039066463127 0.47069393702834 10.811 > 5 22 B 0.76340025411642 0.98039066463127 0.47069393702834 10.811 > 5 23 B 0.26340025411642 0.98039066463127 0.97069393702834 10.811 > 5 24 B 0.76340025411642 0.98039066463127 0.97069393702834 10.811 > 5 25 B 0.13259047893508 0.86619711483871 0.06348601688029 10.811 > 9 26 B 0.63259047893508 0.86619711483871 0.06348601688029 10.811 > 9 27 B 0.13259047893508 0.86619711483871 0.56348601688029 10.811 > 9 28 B 0.63259047893508 0.86619711483871 0.56348601688029 10.811 > 9 29 B 0.38259047893507 0.63380288516129 0.31348601688029 10.811 > 13 30 B 0.88259047893507 0.63380288516129 0.31348601688029 10.811 > 13 31 B 0.38259047893507 0.63380288516129 0.81348601688029 10.811 > 13 32 B 0.88259047893507 0.63380288516129 0.81348601688029 10.811 > 13 33 S 0.35326016603463 0.01276859004048 0.12803785376546 32.065 > 33 34 S 0.85326016603463 0.01276859004048 0.12803785376546 32.065 > 33 35 S 0.35326016603463 0.01276859004048 0.62803785376546 32.065 > 33 36 S 0.85326016603463 0.01276859004048 0.62803785376546 32.065 > 33 37 S 0.46665888371661 0.36335022200277 0.47212276012912 32.065 > 37 38 S 0.96665888371661 0.36335022200277 0.47212276012912 32.065 > 37 39 S 0.46665888371661 0.36335022200277 0.97212276012912 32.065 > 37 40 S 0.96665888371661 0.36335022200277 0.97212276012912 32.065 > 37 41 S 0.03508531326649 0.21697300249805 0.28824789770060 32.065 > 41 42 S 0.53508531326649 0.21697300249805 0.28824789770060 32.065 > 41 43 S 0.03508531326649 0.21697300249805 0.78824789770060 32.065 > 41 44 S 0.53508531326649 0.21697300249805 0.78824789770060 32.065 > 41 45 S 0.28508531326649 0.28302699750195 0.03824789770060 32.065 > 45 46 S 0.78508531326649 0.28302699750195 0.03824789770060 32.065 > 45 47 S 0.28508531326649 0.28302699750195 0.53824789770060 32.065 > 45 48 S 0.78508531326649 0.28302699750195 0.53824789770060 32.065 > 45 49 S 0.38383307239020 0.45150871121422 0.16591007355768 32.065 > 49 50 S 0.88383307239020 0.45150871121422 0.16591007355768 32.065 > 49 51 S 0.38383307239020 0.45150871121422 0.66591007355768 32.065 > 49 52 S 0.88383307239020 0.45150871121422 0.66591007355768 32.065 > 49 53 S 0.13383307239020 0.04849128878578 0.41591007355768 32.065 > 53 54 S 0.63383307239020 0.04849128878578 0.41591007355768 32.065 > 53 55 S 0.13383307239020 0.04849128878578 0.91591007355768 32.065 > 53 56 S 0.63383307239020 0.04849128878578 0.91591007355768 32.065 > 53 57 S 0.21665888371660 0.13664977799723 0.22212276012912 32.065 > 57 58 S 0.71665888371661 0.13664977799723 0.22212276012912 32.065 > 57 59 S 0.21665888371660 0.13664977799723 0.72212276012912 32.065 > 57 60 S 0.71665888371661 0.13664977799723 0.72212276012912 32.065 > 57 61 S 0.10326016603463 0.48723140995952 0.37803785376546 32.065 > 61 62 S 0.60326016603463 0.48723140995952 0.37803785376546 32.065 > 61 63 S 0.10326016603463 0.48723140995952 0.87803785376546 32.065 > 61 64 S 0.60326016603463 0.48723140995952 0.87803785376546 32.065 > 61 65 S 0.10326016603463 0.51276859004048 0.12803785376546 32.065 > 33 66 S 0.60326016603463 0.51276859004048 0.12803785376546 32.065 > 33 67 S 0.10326016603463 0.51276859004048 0.62803785376546 32.065 > 33 68 S 0.60326016603463 0.51276859004048 0.62803785376546 32.065 > 33 69 S 0.21665888371660 0.86335022200277 0.47212276012912 32.065 > 37 70 S 0.71665888371661 0.86335022200277 0.47212276012912 32.065 > 37 71 S 0.21665888371660 0.86335022200277 0.97212276012912 32.065 > 37 72 S 0.71665888371661 0.86335022200277 0.97212276012912 32.065 > 37 73 S 0.28508531326649 0.71697300249805 0.28824789770060 32.065 > 41 74 S 0.78508531326649 0.71697300249805 0.28824789770060 32.065 > 41 75 S 0.28508531326649 0.71697300249805 0.78824789770060 32.065 > 41 76 S 0.78508531326649 0.71697300249805 0.78824789770060 32.065 > 41 77 S 0.03508531326649 0.78302699750195 0.03824789770060 32.065 > 45 78 S 0.53508531326649 0.78302699750195 0.03824789770060 32.065 > 45 79 S 0.03508531326649 0.78302699750195 0.53824789770060 32.065 > 45 80 S 0.53508531326649 0.78302699750195 0.53824789770060 32.065 > 45 81 S 0.13383307239020 0.95150871121422 0.16591007355768 32.065 > 49 82 S 0.63383307239020 0.95150871121422 0.16591007355768 32.065 > 49 83 S 0.13383307239020 0.95150871121422 0.66591007355768 32.065 > 49 84 S 0.63383307239020 0.95150871121422 0.66591007355768 32.065 > 49 85 S 0.38383307239020 0.54849128878578 0.41591007355768 32.065 > 53 86 S 0.88383307239020 0.54849128878578 0.41591007355768 32.065 > 53 87 S 0.38383307239020 0.54849128878578 0.91591007355768 32.065 > 53 88 S 0.88383307239020 0.54849128878578 0.91591007355768 32.065 > 53 89 S 0.46665888371661 0.63664977799723 0.22212276012912 32.065 > 57 90 S 0.96665888371661 0.63664977799723 0.22212276012912 32.065 > 57 91 S 0.46665888371661 0.63664977799723 0.72212276012912 32.065 > 57 92 S 0.96665888371661 0.63664977799723 0.72212276012912 32.065 > 57 93 S 0.35326016603463 0.98723140995952 0.37803785376546 32.065 > 61 94 S 0.85326016603463 0.98723140995952 0.37803785376546 32.065 > 61 95 S 0.35326016603463 0.98723140995952 0.87803785376546 32.065 > 61 96 S 0.85326016603463 0.98723140995952 0.87803785376546 32.065 > 61 97 Ba 0.47747183654058 0.15431735503858 0.02046145093851 137.327 > 97 98 Ba 0.97747183654058 0.15431735503858 0.02046145093851 137.327 > 97 99 Ba 0.47747183654058 0.15431735503858 0.52046145093851 137.327 > 97 100 Ba 0.97747183654058 0.15431735503858 0.52046145093851 137.327 > 97 101 Ba 0.22747183654058 0.34568264496142 0.27046145093851 137.327 > 101 102 Ba 0.72747183654058 0.34568264496142 0.27046145093851 137.327 > 101 103 Ba 0.22747183654058 0.34568264496142 0.77046145093851 137.327 > 101 104 Ba 0.72747183654058 0.34568264496142 0.77046145093851 137.327 > 101 105 Ba 0.22747183654058 0.65431735503858 0.02046145093851 137.327 > 97 106 Ba 0.72747183654058 0.65431735503858 0.02046145093851 137.327 > 97 107 Ba 0.22747183654058 0.65431735503858 0.52046145093851 137.327 > 97 108 Ba 0.72747183654058 0.65431735503858 0.52046145093851 137.327 > 97 109 Ba 0.47747183654058 0.84568264496142 0.27046145093851 137.327 > 101 110 Ba 0.97747183654058 0.84568264496142 0.27046145093851 137.327 > 101 111 Ba 0.47747183654058 0.84568264496142 0.77046145093851 137.327 > 101 112 Ba 0.97747183654058 0.84568264496142 0.77046145093851 137.327 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9453313 0.0000000 -0.3560430 0.0000000 5.2026352 0.0000000 -0.3559270 0.0000000 5.2047703 -------------------------- Born effective charges -------------------------- 1 B 1.1165582 -0.3139068 -0.0528840 -0.0671009 1.5670001 0.0850096 -0.0167980 0.2769113 1.6391890 2 B 1.1165582 0.3139068 -0.0528840 0.0671009 1.5670001 -0.0850096 -0.0167980 -0.2769113 1.6391890 3 B 1.3868791 0.5321878 -0.5284344 0.6421106 1.6614694 0.8523992 -0.6754393 1.0091638 1.0347103 4 B 1.3868791 -0.5321878 -0.5284344 -0.6421106 1.6614694 -0.8523992 -0.6754393 -1.0091638 1.0347103 5 S -1.2086006 -0.0956032 0.2557902 0.0551854 -1.0147902 0.1214719 0.2352388 0.1663740 -1.6833028 6 S -1.3211473 -0.2919360 0.1665860 -0.3782222 -1.4618741 0.1296896 0.2910265 0.0555498 -1.1310118 7 S -1.6441587 0.3316005 0.1238622 0.5006970 -1.9140453 0.2730464 0.1879044 0.2902258 -1.5098465 8 S -1.6441587 -0.3316005 0.1238622 -0.5006970 -1.9140453 -0.2730464 0.1879044 -0.2902258 -1.5098465 9 S -1.0485095 -0.2256767 0.0795615 -0.1990157 -1.6510553 -0.5292550 0.1063292 -0.6566577 -1.1040276 10 S -1.0485095 0.2256767 0.0795615 0.1990157 -1.6510553 0.5292550 0.1063292 0.6566577 -1.1040276 11 S -1.3211473 0.2919360 0.1665860 0.3782222 -1.4618741 -0.1296896 0.2910265 -0.0555498 -1.1310118 12 S -1.2086006 0.0956032 0.2557902 -0.0551854 -1.0147902 -0.1214719 0.2352388 -0.1663740 -1.6833028 13 Ba 2.7189789 0.0919361 -0.0444816 -0.2906477 2.8132954 0.0219506 -0.1282617 0.2555293 2.7542893 14 Ba 2.7189789 -0.0919361 -0.0444816 0.2906477 2.8132954 -0.0219506 -0.1282617 -0.2555293 2.7542893 ---------------------------------------------------------------------------- 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 9, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 37, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 41, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (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 2026-01-08 08:38:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:38:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cc (9) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.326949550004374 -7.818203664999999 0.000000000000000 b 3.326949550004374 7.818203664999999 0.000000000000000 c -2.119545593434887 0.000000000000000 5.620005342940399 Atomic positions (fractional): 1 B 0.50719117286411 0.54640984360157 0.44138787405668 10.811 2 B 0.54640984360157 0.50719117286411 0.94138787405668 10.811 3 B 0.39898384303144 0.13137807270886 0.12697203376059 10.811 4 B 0.13137807270886 0.39898384303144 0.62697203376059 10.811 5 S 0.69375174202878 0.71928892210974 0.25607570753092 32.065 6 S 0.56996754543044 0.29666798943598 0.94424552025823 32.065 7 S 0.85319762403493 0.28714362903103 0.57649579540120 32.065 8 S 0.28714362903103 0.85319762403493 0.07649579540120 32.065 9 S 0.31615743356617 0.21917485599462 0.33182014711536 32.065 10 S 0.21917485599462 0.31615743356618 0.83182014711536 32.065 11 S 0.29666798943598 0.56996754543044 0.44424552025823 32.065 12 S 0.71928892210974 0.69375174202878 0.75607570753092 32.065 13 Ba 0.80062631804259 0.10926102811974 0.04092290187702 137.327 14 Ba 0.10926102811974 0.80062631804259 0.54092290187702 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.307798200017498 0.000000000000000 0.000000000000000 b 0.000000000000000 15.636407329999997 0.000000000000000 c -4.239091186869774 0.000000000000000 11.240010685880797 Atomic positions (fractional): 1 B 0.26340025411642 0.01960933536873 0.22069393702834 10.811 > 1 2 B 0.76340025411642 0.01960933536873 0.22069393702834 10.811 > 1 3 B 0.26340025411642 0.01960933536873 0.72069393702834 10.811 > 1 4 B 0.76340025411642 0.01960933536873 0.72069393702834 10.811 > 1 5 B 0.01340025411642 0.48039066463127 0.47069393702834 10.811 > 5 6 B 0.51340025411642 0.48039066463127 0.47069393702834 10.811 > 5 7 B 0.01340025411642 0.48039066463127 0.97069393702834 10.811 > 5 8 B 0.51340025411642 0.48039066463127 0.97069393702834 10.811 > 5 9 B 0.38259047893507 0.36619711483871 0.06348601688029 10.811 > 9 10 B 0.88259047893507 0.36619711483871 0.06348601688029 10.811 > 9 11 B 0.38259047893507 0.36619711483871 0.56348601688029 10.811 > 9 12 B 0.88259047893507 0.36619711483871 0.56348601688029 10.811 > 9 13 B 0.13259047893508 0.13380288516129 0.31348601688029 10.811 > 13 14 B 0.63259047893508 0.13380288516129 0.31348601688029 10.811 > 13 15 B 0.13259047893508 0.13380288516129 0.81348601688029 10.811 > 13 16 B 0.63259047893508 0.13380288516129 0.81348601688029 10.811 > 13 17 B 0.01340025411642 0.51960933536873 0.22069393702834 10.811 > 1 18 B 0.51340025411642 0.51960933536873 0.22069393702834 10.811 > 1 19 B 0.01340025411642 0.51960933536873 0.72069393702834 10.811 > 1 20 B 0.51340025411642 0.51960933536873 0.72069393702834 10.811 > 1 21 B 0.26340025411642 0.98039066463127 0.47069393702834 10.811 > 5 22 B 0.76340025411642 0.98039066463127 0.47069393702834 10.811 > 5 23 B 0.26340025411642 0.98039066463127 0.97069393702834 10.811 > 5 24 B 0.76340025411642 0.98039066463127 0.97069393702834 10.811 > 5 25 B 0.13259047893508 0.86619711483871 0.06348601688029 10.811 > 9 26 B 0.63259047893508 0.86619711483871 0.06348601688029 10.811 > 9 27 B 0.13259047893508 0.86619711483871 0.56348601688029 10.811 > 9 28 B 0.63259047893508 0.86619711483871 0.56348601688029 10.811 > 9 29 B 0.38259047893507 0.63380288516129 0.31348601688029 10.811 > 13 30 B 0.88259047893507 0.63380288516129 0.31348601688029 10.811 > 13 31 B 0.38259047893507 0.63380288516129 0.81348601688029 10.811 > 13 32 B 0.88259047893507 0.63380288516129 0.81348601688029 10.811 > 13 33 S 0.35326016603463 0.01276859004048 0.12803785376546 32.065 > 33 34 S 0.85326016603463 0.01276859004048 0.12803785376546 32.065 > 33 35 S 0.35326016603463 0.01276859004048 0.62803785376546 32.065 > 33 36 S 0.85326016603463 0.01276859004048 0.62803785376546 32.065 > 33 37 S 0.46665888371661 0.36335022200277 0.47212276012912 32.065 > 37 38 S 0.96665888371661 0.36335022200277 0.47212276012912 32.065 > 37 39 S 0.46665888371661 0.36335022200277 0.97212276012912 32.065 > 37 40 S 0.96665888371661 0.36335022200277 0.97212276012912 32.065 > 37 41 S 0.03508531326649 0.21697300249805 0.28824789770060 32.065 > 41 42 S 0.53508531326649 0.21697300249805 0.28824789770060 32.065 > 41 43 S 0.03508531326649 0.21697300249805 0.78824789770060 32.065 > 41 44 S 0.53508531326649 0.21697300249805 0.78824789770060 32.065 > 41 45 S 0.28508531326649 0.28302699750195 0.03824789770060 32.065 > 45 46 S 0.78508531326649 0.28302699750195 0.03824789770060 32.065 > 45 47 S 0.28508531326649 0.28302699750195 0.53824789770060 32.065 > 45 48 S 0.78508531326649 0.28302699750195 0.53824789770060 32.065 > 45 49 S 0.38383307239020 0.45150871121422 0.16591007355768 32.065 > 49 50 S 0.88383307239020 0.45150871121422 0.16591007355768 32.065 > 49 51 S 0.38383307239020 0.45150871121422 0.66591007355768 32.065 > 49 52 S 0.88383307239020 0.45150871121422 0.66591007355768 32.065 > 49 53 S 0.13383307239020 0.04849128878578 0.41591007355768 32.065 > 53 54 S 0.63383307239020 0.04849128878578 0.41591007355768 32.065 > 53 55 S 0.13383307239020 0.04849128878578 0.91591007355768 32.065 > 53 56 S 0.63383307239020 0.04849128878578 0.91591007355768 32.065 > 53 57 S 0.21665888371660 0.13664977799723 0.22212276012912 32.065 > 57 58 S 0.71665888371661 0.13664977799723 0.22212276012912 32.065 > 57 59 S 0.21665888371660 0.13664977799723 0.72212276012912 32.065 > 57 60 S 0.71665888371661 0.13664977799723 0.72212276012912 32.065 > 57 61 S 0.10326016603463 0.48723140995952 0.37803785376546 32.065 > 61 62 S 0.60326016603463 0.48723140995952 0.37803785376546 32.065 > 61 63 S 0.10326016603463 0.48723140995952 0.87803785376546 32.065 > 61 64 S 0.60326016603463 0.48723140995952 0.87803785376546 32.065 > 61 65 S 0.10326016603463 0.51276859004048 0.12803785376546 32.065 > 33 66 S 0.60326016603463 0.51276859004048 0.12803785376546 32.065 > 33 67 S 0.10326016603463 0.51276859004048 0.62803785376546 32.065 > 33 68 S 0.60326016603463 0.51276859004048 0.62803785376546 32.065 > 33 69 S 0.21665888371660 0.86335022200277 0.47212276012912 32.065 > 37 70 S 0.71665888371661 0.86335022200277 0.47212276012912 32.065 > 37 71 S 0.21665888371660 0.86335022200277 0.97212276012912 32.065 > 37 72 S 0.71665888371661 0.86335022200277 0.97212276012912 32.065 > 37 73 S 0.28508531326649 0.71697300249805 0.28824789770060 32.065 > 41 74 S 0.78508531326649 0.71697300249805 0.28824789770060 32.065 > 41 75 S 0.28508531326649 0.71697300249805 0.78824789770060 32.065 > 41 76 S 0.78508531326649 0.71697300249805 0.78824789770060 32.065 > 41 77 S 0.03508531326649 0.78302699750195 0.03824789770060 32.065 > 45 78 S 0.53508531326649 0.78302699750195 0.03824789770060 32.065 > 45 79 S 0.03508531326649 0.78302699750195 0.53824789770060 32.065 > 45 80 S 0.53508531326649 0.78302699750195 0.53824789770060 32.065 > 45 81 S 0.13383307239020 0.95150871121422 0.16591007355768 32.065 > 49 82 S 0.63383307239020 0.95150871121422 0.16591007355768 32.065 > 49 83 S 0.13383307239020 0.95150871121422 0.66591007355768 32.065 > 49 84 S 0.63383307239020 0.95150871121422 0.66591007355768 32.065 > 49 85 S 0.38383307239020 0.54849128878578 0.41591007355768 32.065 > 53 86 S 0.88383307239020 0.54849128878578 0.41591007355768 32.065 > 53 87 S 0.38383307239020 0.54849128878578 0.91591007355768 32.065 > 53 88 S 0.88383307239020 0.54849128878578 0.91591007355768 32.065 > 53 89 S 0.46665888371661 0.63664977799723 0.22212276012912 32.065 > 57 90 S 0.96665888371661 0.63664977799723 0.22212276012912 32.065 > 57 91 S 0.46665888371661 0.63664977799723 0.72212276012912 32.065 > 57 92 S 0.96665888371661 0.63664977799723 0.72212276012912 32.065 > 57 93 S 0.35326016603463 0.98723140995952 0.37803785376546 32.065 > 61 94 S 0.85326016603463 0.98723140995952 0.37803785376546 32.065 > 61 95 S 0.35326016603463 0.98723140995952 0.87803785376546 32.065 > 61 96 S 0.85326016603463 0.98723140995952 0.87803785376546 32.065 > 61 97 Ba 0.47747183654058 0.15431735503858 0.02046145093851 137.327 > 97 98 Ba 0.97747183654058 0.15431735503858 0.02046145093851 137.327 > 97 99 Ba 0.47747183654058 0.15431735503858 0.52046145093851 137.327 > 97 100 Ba 0.97747183654058 0.15431735503858 0.52046145093851 137.327 > 97 101 Ba 0.22747183654058 0.34568264496142 0.27046145093851 137.327 > 101 102 Ba 0.72747183654058 0.34568264496142 0.27046145093851 137.327 > 101 103 Ba 0.22747183654058 0.34568264496142 0.77046145093851 137.327 > 101 104 Ba 0.72747183654058 0.34568264496142 0.77046145093851 137.327 > 101 105 Ba 0.22747183654058 0.65431735503858 0.02046145093851 137.327 > 97 106 Ba 0.72747183654058 0.65431735503858 0.02046145093851 137.327 > 97 107 Ba 0.22747183654058 0.65431735503858 0.52046145093851 137.327 > 97 108 Ba 0.72747183654058 0.65431735503858 0.52046145093851 137.327 > 97 109 Ba 0.47747183654058 0.84568264496142 0.27046145093851 137.327 > 101 110 Ba 0.97747183654058 0.84568264496142 0.27046145093851 137.327 > 101 111 Ba 0.47747183654058 0.84568264496142 0.77046145093851 137.327 > 101 112 Ba 0.97747183654058 0.84568264496142 0.77046145093851 137.327 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9453313 0.0000000 -0.3560430 0.0000000 5.2026352 0.0000000 -0.3559270 0.0000000 5.2047703 -------------------------- Born effective charges -------------------------- 1 B 1.1165582 -0.3139068 -0.0528840 -0.0671009 1.5670001 0.0850096 -0.0167980 0.2769113 1.6391890 2 B 1.1165582 0.3139068 -0.0528840 0.0671009 1.5670001 -0.0850096 -0.0167980 -0.2769113 1.6391890 3 B 1.3868791 0.5321878 -0.5284344 0.6421106 1.6614694 0.8523992 -0.6754393 1.0091638 1.0347103 4 B 1.3868791 -0.5321878 -0.5284344 -0.6421106 1.6614694 -0.8523992 -0.6754393 -1.0091638 1.0347103 5 S -1.2086006 -0.0956032 0.2557902 0.0551854 -1.0147902 0.1214719 0.2352388 0.1663740 -1.6833028 6 S -1.3211473 -0.2919360 0.1665860 -0.3782222 -1.4618741 0.1296896 0.2910265 0.0555498 -1.1310118 7 S -1.6441587 0.3316005 0.1238622 0.5006970 -1.9140453 0.2730464 0.1879044 0.2902258 -1.5098465 8 S -1.6441587 -0.3316005 0.1238622 -0.5006970 -1.9140453 -0.2730464 0.1879044 -0.2902258 -1.5098465 9 S -1.0485095 -0.2256767 0.0795615 -0.1990157 -1.6510553 -0.5292550 0.1063292 -0.6566577 -1.1040276 10 S -1.0485095 0.2256767 0.0795615 0.1990157 -1.6510553 0.5292550 0.1063292 0.6566577 -1.1040276 11 S -1.3211473 0.2919360 0.1665860 0.3782222 -1.4618741 -0.1296896 0.2910265 -0.0555498 -1.1310118 12 S -1.2086006 0.0956032 0.2557902 -0.0551854 -1.0147902 -0.1214719 0.2352388 -0.1663740 -1.6833028 13 Ba 2.7189789 0.0919361 -0.0444816 -0.2906477 2.8132954 0.0219506 -0.1282617 0.2555293 2.7542893 14 Ba 2.7189789 -0.0919361 -0.0444816 0.2906477 2.8132954 -0.0219506 -0.1282617 -0.2555293 2.7542893 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.63, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/205) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 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 1.825 ( 0.000 0.000 0.000) 0.000 1.911 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.400 ( -0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 3.221 ( -0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 -0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.436 ( 0.000 0.000 0.000) 0.000 5.110 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.801 ( -0.000 0.000 0.000) 0.000 6.161 ( 0.000 0.000 0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 6.935 ( -0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.768 ( -0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 8.534 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 11.695 ( 0.000 0.000 0.000) 0.000 12.218 ( 0.000 0.000 0.000) 0.000 12.437 ( 0.000 0.000 -0.000) 0.000 12.921 ( 0.000 0.000 0.000) 0.000 13.603 ( -0.000 0.000 0.000) 0.000 13.921 ( 0.000 0.000 0.000) 0.000 18.595 ( 0.000 0.000 -0.000) 0.000 18.750 ( 0.000 0.000 0.000) 0.000 19.632 ( 0.000 0.000 0.000) 0.000 19.881 ( 0.000 0.000 0.000) 0.000 21.787 ( 0.000 0.000 0.000) 0.000 22.974 ( 0.000 0.000 -0.000) 0.000 26.109 ( 0.000 0.000 0.000) 0.000 26.618 ( -0.000 0.000 0.000) 0.000 26.751 ( 0.000 0.000 0.000) 0.000 27.066 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/205) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 16.573 -2.757 1.879) 16.905 0.419 ( 23.629 -1.309 -0.193) 23.666 0.679 ( 27.838 -25.531 1.423) 37.799 1.805 ( -4.013 10.537 0.082) 11.275 1.908 ( -3.041 -1.450 0.984) 3.510 2.060 ( -4.279 -1.828 -7.837) 9.114 2.448 ( -3.420 -9.841 2.646) 10.749 2.691 ( -0.386 -1.126 -3.094) 3.315 2.998 ( 3.636 4.864 -3.605) 7.062 3.272 ( 2.557 -0.269 1.865) 3.176 3.459 ( 1.965 -0.402 -5.531) 5.883 4.082 ( 2.700 17.659 14.682) 23.124 4.287 ( -5.241 -5.961 3.311) 8.600 4.445 ( -2.658 -3.461 -0.085) 4.364 5.097 ( 0.339 3.067 -0.877) 3.208 5.140 ( 1.821 -1.072 -3.865) 4.405 5.809 ( 0.471 0.048 0.761) 0.897 6.180 ( -0.213 -2.825 -0.419) 2.864 6.835 ( -1.110 1.063 1.472) 2.128 6.932 ( -0.729 -1.276 -0.677) 1.618 7.437 ( -0.378 0.953 -0.226) 1.050 7.784 ( 1.426 0.067 -1.593) 2.139 7.862 ( 1.434 -0.653 0.138) 1.582 8.545 ( 0.556 -0.658 0.187) 0.882 8.779 ( -0.292 0.304 1.523) 1.580 10.904 ( -0.481 0.118 0.208) 0.538 11.690 ( -0.684 0.338 -0.252) 0.803 12.215 ( -0.502 -0.536 -0.032) 0.735 12.441 ( -0.061 0.001 0.509) 0.513 12.922 ( -0.123 -0.311 -0.241) 0.412 13.605 ( -0.103 -0.590 -0.016) 0.599 13.917 ( -0.286 0.192 -0.056) 0.349 18.674 ( -5.026 -16.134 -1.442) 16.960 18.749 ( -0.125 -0.237 -0.481) 0.550 19.633 ( -0.502 -0.737 -0.244) 0.924 19.906 ( -3.609 0.688 9.794) 10.460 21.782 ( -0.427 -0.036 -0.594) 0.732 23.170 ( 2.505 7.653 0.789) 8.091 26.234 ( 9.594 8.754 -16.403) 20.922 26.667 ( -3.563 -10.166 -4.597) 11.712 26.782 ( -1.693 -7.403 -2.256) 7.922 27.192 ( -4.048 -0.179 8.293) 9.230 ======================= Grid point 2 (3/205) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 14.313 5.061 3.811) 15.653 0.796 ( 19.665 -4.597 -2.022) 20.296 1.269 ( 19.790 -20.054 -0.504) 28.179 1.610 ( -6.684 8.489 -3.465) 11.346 1.869 ( -1.544 -2.487 -0.326) 2.946 1.981 ( -2.388 -2.884 -5.655) 6.782 2.463 ( -2.974 -3.558 3.475) 5.795 2.661 ( -3.605 -2.117 0.343) 4.195 2.992 ( 0.664 1.217 -3.081) 3.378 3.340 ( 4.781 3.088 2.704) 6.301 3.453 ( 0.108 1.054 -1.409) 1.763 4.102 ( 2.001 6.666 6.679) 9.647 4.245 ( -4.382 -1.703 0.103) 4.703 4.428 ( -0.638 -0.572 -0.655) 1.079 5.071 ( -0.047 3.809 -0.240) 3.817 5.157 ( 1.029 -0.987 -0.595) 1.546 5.825 ( 1.035 0.036 0.245) 1.064 6.197 ( 0.543 -1.521 -0.158) 1.623 6.815 ( -1.323 1.172 1.560) 2.357 6.923 ( -0.940 -1.550 -0.831) 1.994 7.420 ( -0.817 0.930 0.479) 1.328 7.793 ( 0.850 0.441 -1.425) 1.717 7.901 ( 2.343 -0.690 0.216) 2.452 8.565 ( 1.077 -0.274 0.364) 1.170 8.782 ( -0.065 0.419 0.923) 1.016 10.895 ( -0.604 0.185 0.389) 0.742 11.669 ( -1.145 0.404 -0.333) 1.259 12.209 ( -0.730 -0.849 0.044) 1.121 12.444 ( 0.046 -0.151 0.329) 0.365 12.920 ( -0.089 -0.019 -0.408) 0.418 13.608 ( -0.078 -0.767 0.008) 0.771 13.909 ( -0.372 0.239 -0.038) 0.444 18.701 ( -1.451 -7.466 0.104) 7.606 18.745 ( -0.321 -0.436 -0.305) 0.621 19.627 ( -0.369 -0.078 -0.092) 0.388 19.902 ( -1.760 0.362 4.281) 4.643 21.768 ( -0.631 -0.044 -0.916) 1.113 23.160 ( 0.640 3.276 0.222) 3.345 26.226 ( 3.668 3.742 -7.047) 8.782 26.647 ( -2.840 -5.723 -2.554) 6.880 26.795 ( -0.130 -2.214 0.240) 2.231 27.173 ( -1.890 -0.105 1.320) 2.308 ======================= Grid point 3 (4/205) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 4.108 13.321 2.551) 14.172 1.100 ( 14.132 -5.789 -5.280) 16.159 1.359 ( -2.440 5.209 1.585) 5.966 1.651 ( 1.092 -12.491 -4.845) 13.442 1.922 ( -0.258 0.170 -3.563) 3.576 2.010 ( 11.609 -10.353 0.528) 15.564 2.447 ( -2.435 0.543 3.191) 4.051 2.606 ( -4.864 -1.950 0.481) 5.263 2.963 ( -1.421 1.158 -1.564) 2.409 3.395 ( 0.651 2.426 1.082) 2.735 3.447 ( 2.601 2.148 1.169) 3.570 4.128 ( 0.872 3.689 3.056) 4.869 4.180 ( -3.295 -1.203 -0.426) 3.534 4.424 ( 0.312 -0.017 -0.573) 0.652 5.042 ( -0.179 3.156 -0.058) 3.162 5.179 ( 0.853 -0.762 0.334) 1.192 5.844 ( 0.979 0.067 0.031) 0.982 6.215 ( 0.574 -0.975 0.094) 1.135 6.796 ( -1.024 0.811 1.101) 1.709 6.914 ( -0.742 -1.198 -0.668) 1.560 7.405 ( -0.635 0.604 0.361) 0.948 7.787 ( 0.043 0.863 -1.131) 1.423 7.945 ( 2.097 -0.527 0.160) 2.168 8.586 ( 0.952 -0.090 0.311) 1.005 8.782 ( -0.127 0.425 0.646) 0.783 10.888 ( -0.432 0.082 0.402) 0.596 11.645 ( -1.025 0.342 -0.309) 1.124 12.204 ( -0.610 -0.797 0.127) 1.011 12.448 ( 0.074 -0.177 0.238) 0.306 12.915 ( -0.105 0.105 -0.437) 0.462 13.613 ( -0.055 -0.673 0.017) 0.675 13.903 ( -0.250 0.146 -0.001) 0.290 18.727 ( -0.347 -3.338 0.114) 3.358 18.742 ( -0.374 -0.896 0.119) 0.978 19.622 ( -0.207 0.102 -0.026) 0.232 19.897 ( -0.951 0.198 2.097) 2.311 21.752 ( -0.541 -0.050 -0.814) 0.978 23.149 ( 0.082 1.557 0.044) 1.560 26.216 ( 1.453 1.811 -3.383) 4.103 26.626 ( -2.043 -3.536 -1.412) 4.321 26.809 ( 0.186 -0.501 0.819) 0.978 27.151 ( -0.931 -0.046 -0.781) 1.216 ======================= Grid point 4 (5/205) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -2.636 8.071 -0.651) 8.515 1.244 ( 4.386 -0.093 -3.138) 5.394 1.393 ( 3.197 -0.370 3.037) 4.425 1.666 ( -1.766 -4.946 -2.196) 5.692 1.892 ( -0.526 0.290 -0.957) 1.130 2.255 ( 6.045 -4.846 -0.712) 7.780 2.440 ( 1.005 -0.818 0.527) 1.399 2.549 ( -2.870 -0.290 0.846) 3.007 2.915 ( -1.807 1.513 -0.039) 2.357 3.370 ( -0.907 1.190 0.161) 1.505 3.497 ( 2.040 0.616 0.927) 2.324 4.096 ( -1.336 1.414 -0.289) 1.967 4.177 ( 0.154 -0.562 0.901) 1.073 4.427 ( 0.220 0.052 -0.251) 0.338 5.024 ( -0.075 1.233 -0.027) 1.235 5.196 ( 0.359 -0.302 0.241) 0.528 5.855 ( 0.397 0.038 -0.009) 0.399 6.229 ( 0.258 -0.381 0.095) 0.470 6.785 ( -0.396 0.297 0.389) 0.630 6.908 ( -0.285 -0.434 -0.269) 0.585 7.396 ( -0.226 0.193 0.115) 0.319 7.775 ( -0.139 0.458 -0.455) 0.660 7.974 ( 0.835 -0.192 0.052) 0.858 8.599 ( 0.369 -0.013 0.119) 0.388 8.781 ( -0.081 0.187 0.248) 0.321 10.885 ( -0.146 0.010 0.174) 0.227 11.630 ( -0.406 0.134 -0.127) 0.446 12.202 ( -0.233 -0.328 0.072) 0.409 12.451 ( 0.035 -0.079 0.092) 0.126 12.911 ( -0.052 0.064 -0.194) 0.211 13.616 ( -0.022 -0.267 0.008) 0.268 13.899 ( -0.077 0.039 0.008) 0.087 18.734 ( -0.052 -0.367 -0.164) 0.405 18.748 ( -0.162 -1.001 0.297) 1.056 19.619 ( -0.058 0.060 -0.002) 0.084 19.894 ( -0.308 0.062 0.646) 0.719 21.742 ( -0.210 -0.023 -0.324) 0.386 23.142 ( -0.017 0.468 0.002) 0.469 26.209 ( 0.373 0.556 -1.030) 1.229 26.613 ( -0.750 -1.253 -0.445) 1.527 26.817 ( 0.081 -0.012 0.403) 0.411 27.136 ( -0.268 -0.017 -0.554) 0.616 ======================= Grid point 10 (6/205) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 17.355 0.000 1.181) 17.395 0.842 ( 19.186 0.000 7.203) 20.494 1.071 ( 28.187 0.000 -5.365) 28.693 1.725 ( -12.985 -0.000 -4.912) 13.883 1.811 ( -1.864 -0.000 0.054) 1.865 1.960 ( -0.832 -0.000 -4.938) 5.008 2.425 ( 0.461 0.000 2.597) 2.637 2.645 ( -4.260 -0.000 1.622) 4.558 2.999 ( -0.456 -0.000 -2.842) 2.879 3.366 ( 4.432 0.000 2.564) 5.120 3.461 ( 1.337 0.000 -2.291) 2.653 4.192 ( -1.453 -0.000 -2.670) 3.040 4.201 ( -3.797 -0.000 10.607) 11.266 4.421 ( -0.088 -0.000 -0.477) 0.485 5.112 ( -0.399 -0.000 1.170) 1.236 5.137 ( 1.307 0.000 -2.971) 3.246 5.826 ( 1.012 0.000 0.366) 1.076 6.184 ( 1.146 0.000 -0.049) 1.147 6.826 ( -1.510 -0.000 1.707) 2.279 6.906 ( -1.034 -0.000 -0.720) 1.260 7.427 ( -1.134 -0.000 0.572) 1.270 7.797 ( 1.295 0.000 -1.832) 2.243 7.895 ( 2.235 0.000 0.776) 2.366 8.563 ( 1.323 0.000 0.166) 1.333 8.786 ( 0.036 0.000 0.691) 0.692 10.897 ( -0.646 -0.000 0.334) 0.727 11.672 ( -1.183 -0.000 -0.404) 1.250 12.203 ( -0.663 -0.000 0.098) 0.670 12.443 ( 0.012 0.000 0.391) 0.391 12.919 ( 0.001 0.000 -0.430) 0.430 13.603 ( 0.049 0.000 -0.029) 0.057 13.911 ( -0.443 -0.000 -0.011) 0.443 18.638 ( 1.688 0.000 1.443) 2.221 18.742 ( -0.229 -0.000 -0.461) 0.515 19.626 ( -0.243 -0.000 0.026) 0.245 19.905 ( -2.104 -0.000 4.767) 5.211 21.768 ( -0.651 -0.000 -0.864) 1.081 23.188 ( -0.958 -0.000 -0.106) 0.964 26.267 ( 3.539 0.000 -11.788) 12.308 26.581 ( -1.630 -0.000 0.033) 1.631 26.784 ( 0.984 0.000 1.759) 2.016 27.173 ( -1.810 -0.000 1.315) 2.237 ======================= Grid point 11 (7/205) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 10.157 3.862 5.375) 12.123 1.104 ( 12.316 5.999 -3.635) 14.173 1.412 ( 6.935 -2.920 -3.567) 8.327 1.484 ( -3.010 -4.663 -6.720) 8.715 1.891 ( 9.694 -4.992 1.642) 11.027 1.929 ( -0.354 0.128 -2.176) 2.208 2.450 ( -0.242 0.069 2.956) 2.967 2.571 ( -6.142 -1.895 1.485) 6.597 2.971 ( -1.311 0.161 -0.918) 1.609 3.428 ( 1.672 1.776 0.990) 2.633 3.468 ( 0.988 0.477 -0.001) 1.097 4.141 ( -2.045 -0.456 -3.045) 3.696 4.199 ( -1.985 2.000 6.181) 6.793 4.422 ( 0.204 -0.168 -0.037) 0.267 5.093 ( -0.448 3.561 0.149) 3.592 5.152 ( 0.444 -2.642 -0.654) 2.757 5.845 ( 0.964 0.071 0.205) 0.988 6.205 ( 1.116 -0.388 0.016) 1.182 6.809 ( -1.392 0.732 1.590) 2.236 6.892 ( -0.641 -1.266 -0.539) 1.518 7.411 ( -1.150 0.198 0.587) 1.306 7.799 ( 0.451 0.564 -1.743) 1.887 7.938 ( 2.059 -0.314 0.690) 2.194 8.585 ( 1.151 -0.032 0.009) 1.152 8.788 ( -0.027 0.284 0.207) 0.352 10.889 ( -0.489 0.019 0.297) 0.572 11.649 ( -1.101 0.140 -0.468) 1.204 12.196 ( -0.406 -0.314 0.319) 0.604 12.446 ( 0.067 -0.062 0.385) 0.396 12.915 ( -0.058 0.004 -0.587) 0.590 13.606 ( 0.239 -0.263 -0.082) 0.365 13.904 ( -0.365 0.061 0.065) 0.376 18.685 ( 1.534 -1.844 1.474) 2.815 18.737 ( -0.084 -0.161 -0.399) 0.439 19.623 ( -0.157 0.035 -0.065) 0.173 19.899 ( -1.180 0.075 2.376) 2.654 21.752 ( -0.563 -0.023 -0.729) 0.922 23.167 ( -0.869 0.771 -0.158) 1.172 26.244 ( 1.380 1.564 -5.872) 6.231 26.570 ( -1.132 -2.972 -0.429) 3.209 26.811 ( 0.560 0.328 2.756) 2.832 27.151 ( -0.654 0.017 -1.536) 1.670 ======================= Grid point 12 (8/205) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -5.856 15.516 -3.037) 16.860 1.182 ( 0.662 -8.240 -3.309) 8.904 1.440 ( 6.618 5.777 0.214) 8.788 1.602 ( 7.318 -3.998 -2.133) 8.607 1.902 ( -0.813 1.039 0.353) 1.366 2.160 ( 11.704 -7.385 -0.513) 13.849 2.436 ( -2.127 0.817 1.194) 2.572 2.519 ( -2.646 -3.483 0.980) 4.483 2.940 ( -2.144 1.489 1.686) 3.108 3.404 ( -1.190 3.405 -0.050) 3.607 3.493 ( 0.349 -1.337 0.272) 1.408 4.087 ( -2.552 -1.549 -3.197) 4.374 4.201 ( 0.139 2.547 4.065) 4.799 4.425 ( -0.148 -0.165 0.339) 0.405 5.057 ( -0.672 3.302 -0.313) 3.384 5.173 ( -0.152 -2.762 -0.217) 2.774 5.857 ( 0.366 0.151 0.173) 0.432 6.225 ( 0.908 -0.140 0.035) 0.920 6.792 ( -0.867 0.691 1.001) 1.494 6.894 ( -0.080 -1.254 -0.052) 1.257 7.396 ( -0.830 -0.125 0.325) 0.900 7.786 ( -0.043 0.873 -1.335) 1.596 7.970 ( 0.849 -0.309 0.518) 1.041 8.599 ( 0.531 -0.017 -0.265) 0.594 8.785 ( -0.079 0.280 -0.269) 0.396 10.884 ( -0.148 -0.032 0.052) 0.160 11.631 ( -0.514 0.082 -0.378) 0.643 12.198 ( 0.116 -0.201 0.425) 0.484 12.450 ( 0.054 -0.042 0.346) 0.352 12.911 ( -0.059 -0.022 -0.492) 0.496 13.613 ( 0.437 -0.158 -0.149) 0.488 13.900 ( -0.186 0.030 0.128) 0.227 18.726 ( 1.217 -0.732 0.905) 1.684 18.738 ( 0.323 -0.376 0.002) 0.496 19.620 ( -0.043 0.071 -0.172) 0.191 19.895 ( -0.483 0.026 0.829) 0.960 21.742 ( -0.220 -0.020 -0.216) 0.309 23.149 ( -0.679 0.392 -0.161) 0.800 26.222 ( 0.301 1.120 -2.473) 2.732 26.579 ( 0.131 -2.800 -0.478) 2.843 26.829 ( -0.058 1.202 3.221) 3.438 27.135 ( 0.229 -0.085 -2.059) 2.074 ======================= Grid point 13 (9/205) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -3.141 5.259 -3.781) 7.198 1.190 ( -4.707 -6.574 2.345) 8.419 1.464 ( 1.593 8.477 -3.109) 9.169 1.725 ( 6.561 2.538 -0.013) 7.035 1.899 ( 0.535 1.550 3.481) 3.848 2.290 ( 0.978 0.214 0.146) 1.011 2.432 ( -0.994 -2.398 -0.433) 2.632 2.530 ( 1.448 -2.373 -0.100) 2.781 2.910 ( -0.714 0.966 2.096) 2.416 3.371 ( -0.423 1.036 -0.492) 1.222 3.481 ( -2.750 -1.472 -1.225) 3.351 4.056 ( -0.618 -3.098 -2.446) 3.996 4.210 ( 0.681 2.927 2.137) 3.688 4.423 ( -0.751 -0.414 0.824) 1.190 5.025 ( -0.693 1.452 -0.505) 1.686 5.180 ( -0.847 -2.331 -0.518) 2.534 5.856 ( -0.442 0.162 0.212) 0.516 6.235 ( 0.429 0.481 -0.150) 0.662 6.784 ( -0.152 0.212 0.267) 0.374 6.905 ( 0.364 -0.684 0.483) 0.913 7.390 ( -0.414 -0.641 0.140) 0.776 7.775 ( 0.235 0.473 -0.579) 0.783 7.975 ( -0.845 -0.088 0.470) 0.971 8.599 ( -0.164 0.004 -0.569) 0.592 8.780 ( 0.109 0.055 -0.768) 0.777 10.884 ( 0.150 -0.062 -0.313) 0.353 11.628 ( 0.291 -0.126 -0.152) 0.351 12.207 ( 0.629 0.311 0.320) 0.771 12.452 ( -0.012 0.084 0.207) 0.224 12.909 ( 0.032 -0.152 -0.150) 0.216 13.620 ( 0.543 0.261 -0.195) 0.633 13.899 ( -0.048 -0.032 0.131) 0.143 18.739 ( 0.449 0.249 0.076) 0.519 18.761 ( 1.557 0.646 0.610) 1.793 19.618 ( 0.065 0.001 -0.222) 0.231 19.893 ( 0.110 -0.077 -0.434) 0.454 21.743 ( 0.198 0.014 0.443) 0.485 23.137 ( -0.627 -0.292 -0.172) 0.713 26.208 ( -0.362 0.362 -0.247) 0.568 26.607 ( 1.476 -1.730 -0.213) 2.284 26.834 ( -0.282 1.975 3.032) 3.629 27.136 ( 0.941 -0.091 -1.128) 1.472 ======================= Grid point 14 (10/205) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -2.952 -5.019 1.364) 5.980 1.179 ( -3.966 0.781 6.593) 7.733 1.345 ( -2.452 6.465 -5.290) 8.706 1.775 ( 3.023 4.138 -0.986) 5.218 1.938 ( 0.496 3.158 7.499) 8.152 2.168 ( -10.896 11.061 0.265) 15.529 2.430 ( 2.196 -2.014 -1.985) 3.580 2.605 ( 4.783 -2.263 -0.586) 5.323 2.938 ( 0.971 -2.011 2.026) 3.015 3.353 ( -3.365 -3.793 -2.087) 5.483 3.431 ( -0.787 0.535 -1.311) 1.619 4.066 ( -0.379 -4.319 -3.431) 5.529 4.215 ( 1.801 3.102 1.614) 3.933 4.420 ( -0.779 -0.716 1.184) 1.587 5.011 ( -0.440 -1.088 -0.501) 1.276 5.172 ( -1.298 -1.653 -0.689) 2.212 5.844 ( -1.020 0.122 0.233) 1.053 6.231 ( -0.033 1.094 -0.250) 1.122 6.788 ( 0.487 -0.410 -0.461) 0.786 6.920 ( 0.490 -0.245 0.819) 0.985 7.393 ( -0.046 -1.090 -0.003) 1.091 7.780 ( 0.507 -0.066 0.175) 0.540 7.951 ( -2.206 0.228 0.532) 2.281 8.587 ( -0.603 0.131 -0.789) 1.002 8.778 ( 0.358 -0.105 -1.100) 1.162 10.886 ( 0.364 -0.138 -0.562) 0.684 11.640 ( 0.931 -0.375 0.083) 1.007 12.217 ( 0.918 0.920 0.144) 1.308 12.451 ( -0.075 0.231 0.010) 0.243 12.912 ( 0.136 -0.262 0.193) 0.353 13.624 ( 0.502 0.786 -0.186) 0.951 13.900 ( 0.064 -0.169 0.102) 0.208 18.745 ( 0.488 0.507 0.332) 0.778 18.783 ( 2.458 3.186 0.354) 4.039 19.620 ( 0.236 -0.123 -0.135) 0.298 19.894 ( 0.623 -0.236 -1.669) 1.797 21.753 ( 0.505 0.044 0.930) 1.059 23.128 ( -0.961 -1.244 -0.254) 1.593 26.200 ( -1.165 -0.466 1.466) 1.929 26.646 ( 2.031 -0.587 0.287) 2.134 26.835 ( 0.466 2.869 2.826) 4.054 27.153 ( 1.614 0.218 -0.294) 1.655 ======================= Grid point 15 (11/205) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -10.440 -1.484 4.926) 11.639 0.980 ( -11.483 16.887 0.677) 20.433 1.412 ( 7.286 -3.927 1.416) 8.397 1.658 ( -13.433 17.172 0.443) 21.806 1.874 ( -3.104 -0.815 1.773) 3.666 2.036 ( 1.744 4.615 4.242) 6.506 2.487 ( 5.151 -0.499 -4.231) 6.684 2.685 ( 3.374 0.340 0.866) 3.500 2.963 ( -2.402 -2.626 2.853) 4.561 3.289 ( -4.219 -4.175 -2.708) 6.525 3.441 ( 1.446 -0.132 -0.098) 1.455 4.031 ( -3.358 -3.102 -5.894) 7.459 4.260 ( 3.523 0.829 1.434) 3.894 4.429 ( 0.697 -0.592 1.139) 1.460 5.019 ( -0.172 -3.227 -0.363) 3.252 5.156 ( -1.237 -0.997 -0.218) 1.603 5.826 ( -1.085 0.107 0.082) 1.093 6.220 ( 0.005 1.475 0.038) 1.476 6.799 ( 0.778 -1.023 -1.078) 1.677 6.934 ( 0.300 -0.142 0.868) 0.929 7.403 ( 0.193 -1.480 -0.167) 1.502 7.789 ( 0.077 -0.037 0.539) 0.546 7.910 ( -2.632 0.501 0.682) 2.765 8.570 ( -0.556 0.437 -0.807) 1.073 8.779 ( 0.466 0.007 -1.173) 1.262 10.892 ( 0.509 -0.299 -0.528) 0.792 11.662 ( 1.095 -0.547 0.194) 1.239 12.225 ( 0.889 1.290 0.066) 1.568 12.447 ( -0.078 0.303 -0.160) 0.351 12.918 ( 0.173 -0.220 0.310) 0.417 13.623 ( 0.354 1.159 -0.122) 1.219 13.905 ( 0.180 -0.390 0.088) 0.439 18.751 ( 0.412 0.637 0.456) 0.885 18.809 ( 4.636 6.511 0.934) 8.047 19.627 ( 0.506 -0.129 0.143) 0.542 19.896 ( 1.088 -0.464 -3.199) 3.411 21.768 ( 0.577 0.040 1.017) 1.170 23.115 ( -2.157 -2.595 -0.535) 3.417 26.190 ( -2.618 -1.307 3.020) 4.205 26.681 ( 1.200 -0.429 0.759) 1.483 26.853 ( 2.869 4.907 3.965) 6.931 27.179 ( 2.402 0.790 -1.150) 2.778 ======================= Grid point 16 (12/205) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( -6.455 12.161 7.831) 15.839 0.658 ( -9.364 22.452 0.357) 24.329 1.101 ( -21.000 30.090 -2.286) 36.764 1.674 ( 7.478 -8.135 2.322) 11.291 1.893 ( 0.767 -2.755 0.060) 2.861 2.075 ( 1.546 0.460 4.717) 4.985 2.541 ( 4.957 0.773 -5.795) 7.665 2.720 ( 0.236 1.934 3.608) 4.101 2.926 ( -6.050 -2.887 1.835) 6.950 3.272 ( 1.490 -1.015 0.212) 1.815 3.457 ( -0.773 -0.682 1.586) 1.891 3.929 ( -6.355 -3.759 -9.230) 11.820 4.313 ( 2.123 -0.115 0.296) 2.147 4.474 ( 3.951 0.192 0.577) 3.997 5.043 ( -0.147 -4.197 0.213) 4.205 5.145 ( -0.953 -0.418 0.710) 1.260 5.810 ( -0.634 0.108 -0.261) 0.694 6.216 ( 0.940 1.778 0.619) 2.104 6.813 ( 0.594 -1.761 -1.355) 2.300 6.942 ( -0.107 -0.171 0.745) 0.772 7.417 ( 0.191 -1.738 -0.145) 1.755 7.786 ( -0.710 0.391 0.533) 0.970 7.871 ( -1.901 0.554 0.790) 2.132 8.556 ( 0.074 0.802 -0.482) 0.939 8.779 ( 0.571 0.303 -1.080) 1.259 10.900 ( 0.486 -0.399 -0.263) 0.681 11.683 ( 0.680 -0.570 0.145) 0.899 12.229 ( 0.549 1.291 0.058) 1.404 12.443 ( -0.036 0.286 -0.260) 0.388 12.924 ( 0.218 -0.089 0.233) 0.331 13.618 ( 0.226 1.198 -0.030) 1.220 13.912 ( 0.181 -0.527 0.075) 0.562 18.755 ( 0.237 0.604 0.270) 0.703 18.881 ( 10.369 9.644 3.635) 14.620 19.642 ( 1.091 0.208 0.804) 1.371 19.894 ( 1.441 -0.772 -5.645) 5.877 21.782 ( 0.384 0.014 0.671) 0.774 23.074 ( -5.465 -4.095 -1.340) 6.959 26.163 ( -4.895 -1.711 4.287) 6.728 26.701 ( 0.109 -1.026 0.616) 1.201 26.925 ( 6.553 6.867 8.596) 12.806 27.204 ( 3.813 1.616 -4.754) 6.305 ======================= Grid point 17 (13/205) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -0.000 22.339 0.000) 22.339 0.393 ( -0.000 27.101 0.000) 27.101 0.540 ( -0.000 37.251 0.000) 37.251 1.802 ( 0.000 -2.992 -0.000) 2.992 1.908 ( 0.000 -2.166 -0.000) 2.166 2.139 ( 0.000 -3.950 -0.000) 3.950 2.592 ( 0.000 -5.609 -0.000) 5.609 2.728 ( -0.000 0.197 0.000) 0.197 2.828 ( -0.000 5.993 0.000) 5.993 3.348 ( 0.000 -0.682 -0.000) 0.682 3.446 ( 0.000 -2.174 -0.000) 2.174 3.775 ( -0.000 3.444 0.000) 3.444 4.336 ( 0.000 -0.688 -0.000) 0.688 4.537 ( 0.000 -1.107 -0.000) 1.107 5.073 ( 0.000 -3.998 -0.000) 3.998 5.138 ( -0.000 0.402 0.000) 0.402 5.802 ( -0.000 0.097 0.000) 0.097 6.233 ( -0.000 0.320 0.000) 0.320 6.827 ( 0.000 -2.066 -0.000) 2.066 6.942 ( -0.000 0.033 0.000) 0.033 7.429 ( 0.000 -1.366 -0.000) 1.366 7.773 ( -0.000 0.671 0.000) 0.671 7.855 ( -0.000 0.280 0.000) 0.280 8.555 ( -0.000 0.427 0.000) 0.427 8.779 ( -0.000 0.421 0.000) 0.421 10.908 ( 0.000 -0.376 -0.000) 0.376 11.692 ( 0.000 -0.386 -0.000) 0.386 12.225 ( -0.000 0.978 0.000) 0.978 12.439 ( -0.000 0.276 0.000) 0.276 12.930 ( 0.000 -0.213 -0.000) 0.213 13.614 ( -0.000 0.832 0.000) 0.832 13.918 ( 0.000 -0.436 -0.000) 0.436 18.754 ( -0.000 0.452 0.000) 0.452 19.047 ( 0.000 -0.213 -0.000) 0.213 19.674 ( 0.000 -0.831 -0.000) 0.831 19.881 ( 0.000 -0.031 -0.000) 0.031 21.788 ( 0.000 -0.020 -0.000) 0.020 22.981 ( -0.000 0.887 0.000) 0.887 26.116 ( -0.000 0.907 0.000) 0.907 26.711 ( 0.000 -1.109 -0.000) 1.109 27.055 ( 0.000 -1.383 -0.000) 1.383 27.222 ( -0.000 1.811 0.000) 1.811 ======================= Grid point 20 (14/205) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -11.709 -0.000 -13.856) 18.141 1.029 ( 2.519 0.000 6.957) 7.399 1.516 ( 10.602 0.000 -8.134) 13.363 1.549 ( 9.767 0.000 5.053) 10.996 1.914 ( -0.341 -0.000 -0.015) 0.342 2.095 ( 12.796 0.000 0.555) 12.808 2.460 ( -5.724 -0.000 -0.297) 5.732 2.473 ( 0.226 0.000 2.539) 2.549 2.951 ( -1.844 -0.000 2.429) 3.050 3.447 ( -1.015 -0.000 -0.626) 1.192 3.467 ( -0.661 -0.000 0.388) 0.766 4.074 ( -2.572 -0.000 -3.454) 4.306 4.222 ( -0.428 -0.000 4.408) 4.428 4.424 ( -0.281 -0.000 0.575) 0.640 5.098 ( -1.213 -0.000 0.080) 1.216 5.136 ( -0.041 -0.000 -0.901) 0.902 5.858 ( 0.357 0.000 0.243) 0.431 6.224 ( 1.173 0.000 -0.000) 1.173 6.799 ( -1.153 -0.000 1.283) 1.725 6.883 ( 0.175 0.000 0.034) 0.178 7.395 ( -1.080 -0.000 0.365) 1.140 7.793 ( -0.020 -0.000 -1.647) 1.647 7.967 ( 0.865 0.000 0.702) 1.114 8.599 ( 0.592 0.000 -0.412) 0.721 8.787 ( -0.091 -0.000 -0.493) 0.502 10.884 ( -0.149 -0.000 0.005) 0.149 11.632 ( -0.558 -0.000 -0.479) 0.735 12.197 ( 0.255 0.000 0.566) 0.621 12.450 ( 0.061 0.000 0.444) 0.448 12.910 ( -0.059 -0.000 -0.608) 0.611 13.611 ( 0.619 0.000 -0.210) 0.654 13.900 ( -0.230 -0.000 0.174) 0.289 18.720 ( 2.002 0.000 1.548) 2.531 18.735 ( 0.287 0.000 -0.318) 0.428 19.620 ( -0.033 -0.000 -0.232) 0.234 19.895 ( -0.552 -0.000 0.899) 1.055 21.742 ( -0.224 -0.000 -0.172) 0.283 23.152 ( -0.970 -0.000 -0.230) 0.997 26.232 ( 0.183 0.000 -3.269) 3.275 26.555 ( 0.603 0.000 -0.023) 0.603 26.839 ( -0.102 -0.000 4.135) 4.136 27.135 ( 0.414 0.000 -2.698) 2.729 ======================= Grid point 21 (15/205) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -8.026 6.639 -10.143) 14.538 1.092 ( -2.479 -5.551 6.038) 8.569 1.592 ( 5.070 7.582 -4.722) 10.271 1.725 ( 5.983 -2.112 0.527) 6.367 1.931 ( 2.716 2.060 3.531) 4.908 2.265 ( 5.147 -2.628 1.223) 5.907 2.402 ( -0.178 -0.870 -2.450) 2.606 2.496 ( 0.269 -1.777 1.193) 2.158 2.930 ( -2.583 1.090 3.776) 4.703 3.387 ( -3.676 0.892 -1.824) 4.200 3.462 ( -0.856 -0.852 -0.324) 1.250 4.024 ( -1.211 -1.273 -3.059) 3.527 4.243 ( 0.661 1.370 2.973) 3.340 4.417 ( -1.242 -0.306 1.041) 1.649 5.058 ( -1.528 2.559 -0.944) 3.126 5.138 ( -0.809 -2.914 -0.550) 3.074 5.859 ( -0.474 0.113 0.334) 0.591 6.240 ( 0.838 0.221 -0.199) 0.889 6.789 ( -0.655 0.243 0.680) 0.976 6.894 ( 0.555 -0.561 0.664) 1.032 7.382 ( -0.807 -0.367 0.194) 0.908 7.783 ( 0.242 0.402 -1.184) 1.274 7.973 ( -0.856 -0.108 0.802) 1.178 8.599 ( -0.014 0.002 -0.865) 0.865 8.781 ( 0.126 0.074 -1.082) 1.092 10.883 ( 0.158 -0.038 -0.401) 0.433 11.626 ( 0.220 -0.052 -0.331) 0.401 12.210 ( 0.889 0.129 0.571) 1.064 12.453 ( 0.003 0.037 0.409) 0.411 12.907 ( 0.016 -0.084 -0.379) 0.388 13.622 ( 0.885 0.110 -0.323) 0.948 13.898 ( -0.134 -0.013 0.224) 0.261 18.741 ( 0.617 0.108 -0.129) 0.639 18.766 ( 2.469 0.171 1.323) 2.807 19.619 ( 0.066 0.015 -0.382) 0.388 19.892 ( -0.018 -0.036 -0.293) 0.295 21.743 ( 0.190 0.004 0.519) 0.553 23.134 ( -0.999 -0.086 -0.276) 1.040 26.214 ( -0.414 0.367 -1.076) 1.210 26.582 ( 1.940 -1.174 -0.103) 2.270 26.858 ( -0.508 1.048 4.825) 4.963 27.134 ( 1.490 -0.067 -2.315) 2.754 ======================= Grid point 22 (16/205) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.056 4.182 0.942) 4.287 1.137 ( -0.082 -4.090 6.968) 8.080 1.497 ( -3.871 11.441 -4.970) 13.061 1.782 ( 1.077 -1.931 -1.322) 2.577 2.006 ( 3.855 5.443 6.232) 9.129 2.296 ( -5.618 5.268 0.220) 7.705 2.393 ( 1.528 -1.570 0.038) 2.191 2.549 ( 3.988 -5.110 -1.232) 6.598 2.917 ( -0.686 -0.792 2.343) 2.567 3.300 ( -5.754 -3.058 -2.796) 7.091 3.451 ( 0.712 1.647 -1.040) 2.074 4.015 ( 0.334 -2.611 -2.893) 3.912 4.259 ( 1.242 2.751 1.813) 3.521 4.405 ( -1.632 -1.271 1.453) 2.528 5.012 ( -1.452 0.980 -1.299) 2.181 5.138 ( -1.215 -2.730 -0.482) 3.027 5.846 ( -1.066 0.195 0.452) 1.174 6.244 ( 0.215 0.683 -0.426) 0.833 6.784 ( -0.080 -0.101 0.096) 0.161 6.912 ( 0.286 -0.684 0.931) 1.190 7.377 ( -0.509 -1.002 0.167) 1.136 7.784 ( 0.823 0.438 -0.573) 1.094 7.952 ( -2.331 -0.052 1.048) 2.556 8.589 ( -0.271 0.107 -1.206) 1.241 8.779 ( 0.572 0.089 -1.368) 1.486 10.884 ( 0.323 -0.111 -0.698) 0.777 11.635 ( 0.863 -0.239 -0.102) 0.901 12.229 ( 1.190 0.614 0.364) 1.387 12.454 ( -0.074 0.166 0.253) 0.312 12.908 ( 0.144 -0.243 -0.033) 0.285 13.633 ( 0.902 0.532 -0.351) 1.104 13.898 ( -0.120 -0.121 0.192) 0.257 18.751 ( 0.720 0.321 0.069) 0.792 18.817 ( 3.489 1.598 1.203) 4.022 19.619 ( 0.223 -0.074 -0.365) 0.434 19.891 ( 0.360 -0.159 -1.295) 1.353 21.754 ( 0.474 0.023 1.021) 1.126 23.115 ( -1.361 -0.584 -0.376) 1.528 26.200 ( -0.898 0.230 0.397) 1.009 26.627 ( 2.011 -1.517 -0.115) 2.522 26.874 ( 0.348 2.132 4.806) 5.269 27.156 ( 2.469 0.248 -1.181) 2.748 ======================= Grid point 23 (17/205) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 1.938 11.598 10.587) 15.823 1.202 ( -3.565 10.256 4.159) 11.628 1.340 ( 2.951 -1.554 -1.583) 3.692 1.801 ( 0.999 -1.517 -2.901) 3.423 1.950 ( -13.221 13.561 4.919) 19.567 2.112 ( -2.859 5.969 1.662) 6.824 2.455 ( 3.588 -3.215 -3.016) 5.684 2.660 ( 4.424 -3.909 0.404) 5.917 2.929 ( -1.532 -1.974 2.049) 3.232 3.225 ( -3.582 -4.385 -2.422) 6.159 3.451 ( 1.233 1.192 -1.313) 2.160 4.007 ( -1.041 -0.718 -3.858) 4.060 4.277 ( 1.914 1.792 1.385) 2.965 4.409 ( -0.067 -2.165 1.414) 2.587 4.985 ( -1.004 -1.559 -1.222) 2.221 5.133 ( -1.090 -2.020 -0.127) 2.299 5.829 ( -1.131 0.261 0.442) 1.242 6.236 ( -0.067 0.813 -0.332) 0.881 6.787 ( 0.213 -0.560 -0.405) 0.723 6.923 ( -0.265 -1.035 0.806) 1.339 7.380 ( -0.292 -1.565 0.107) 1.595 7.793 ( 0.796 0.514 -0.200) 0.968 7.914 ( -2.892 0.053 1.233) 3.144 8.576 ( -0.097 0.394 -1.233) 1.298 8.781 ( 0.874 0.310 -1.233) 1.543 10.887 ( 0.414 -0.274 -0.682) 0.844 11.655 ( 1.063 -0.445 0.067) 1.155 12.243 ( 1.071 1.144 0.163) 1.575 12.452 ( -0.095 0.304 0.052) 0.323 12.914 ( 0.207 -0.337 0.180) 0.435 13.639 ( 0.667 1.053 -0.270) 1.275 13.899 ( -0.079 -0.395 0.130) 0.423 18.760 ( 0.600 0.576 0.210) 0.858 18.878 ( 5.077 3.337 1.440) 6.244 19.624 ( 0.471 -0.272 -0.088) 0.551 19.890 ( 0.566 -0.340 -2.179) 2.276 21.769 ( 0.521 0.021 1.098) 1.216 23.089 ( -2.223 -1.094 -0.566) 2.541 26.184 ( -1.554 0.150 1.270) 2.012 26.661 ( 0.644 -1.767 0.104) 1.884 26.909 ( 2.518 2.710 4.717) 5.994 27.194 ( 3.187 1.140 -0.739) 3.465 ======================= Grid point 24 (18/205) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 7.274 21.450 10.878) 25.127 0.976 ( -5.351 21.347 -0.496) 22.013 1.504 ( -16.632 26.037 -2.533) 30.999 1.553 ( 8.646 -9.506 4.143) 13.501 1.841 ( -0.680 -4.238 0.617) 4.336 2.071 ( -2.939 -1.206 0.211) 3.184 2.504 ( 1.337 -4.009 -3.529) 5.506 2.728 ( 0.981 -0.404 1.610) 1.928 2.919 ( -1.163 0.451 1.718) 2.123 3.230 ( 1.287 -4.588 0.073) 4.766 3.449 ( -0.535 -0.215 -1.055) 1.202 3.935 ( -2.966 3.256 -4.270) 6.134 4.306 ( 0.939 -0.481 0.792) 1.319 4.457 ( 2.681 -2.468 0.859) 3.744 4.985 ( -0.445 -3.678 -0.665) 3.764 5.131 ( -0.657 -1.370 0.240) 1.538 5.813 ( -0.692 0.328 0.163) 0.783 6.232 ( 0.275 0.491 0.092) 0.570 6.791 ( -0.054 -1.094 -0.720) 1.311 6.930 ( -0.408 -1.330 0.542) 1.493 7.390 ( -0.118 -1.973 -0.014) 1.977 7.795 ( 0.111 0.865 -0.135) 0.883 7.877 ( -2.165 0.164 1.079) 2.424 8.567 ( 0.242 0.667 -0.779) 1.054 8.786 ( 0.820 0.632 -0.785) 1.300 10.894 ( 0.391 -0.487 -0.368) 0.725 11.674 ( 0.709 -0.567 0.089) 0.912 12.249 ( 0.619 1.462 0.070) 1.589 12.448 ( -0.045 0.392 -0.077) 0.402 12.921 ( 0.160 -0.340 0.165) 0.410 13.637 ( 0.331 1.385 -0.123) 1.430 13.903 ( 0.002 -0.699 0.075) 0.703 18.765 ( 0.320 0.738 0.189) 0.827 18.964 ( 6.603 3.133 2.110) 7.607 19.638 ( 0.778 -0.598 0.423) 1.069 19.886 ( 0.509 -0.409 -2.791) 2.867 21.782 ( 0.331 -0.009 0.712) 0.786 23.045 ( -3.315 -0.636 -0.803) 3.469 26.159 ( -2.067 0.635 1.469) 2.614 26.677 ( -0.254 -1.966 0.212) 1.993 26.977 ( 3.503 1.528 4.804) 6.139 27.233 ( 3.495 2.078 -1.394) 4.298 ======================= Grid point 25 (19/205) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -0.000 21.076 0.000) 21.076 0.762 ( -0.000 24.438 0.000) 24.438 1.050 ( -0.000 34.083 0.000) 34.083 1.742 ( 0.000 -5.862 -0.000) 5.862 1.858 ( 0.000 -4.420 -0.000) 4.420 2.063 ( 0.000 -6.577 -0.000) 6.577 2.521 ( 0.000 -3.826 -0.000) 3.826 2.735 ( -0.000 0.658 0.000) 0.658 2.902 ( -0.000 3.875 0.000) 3.875 3.304 ( 0.000 -5.596 -0.000) 5.596 3.428 ( 0.000 -0.181 -0.000) 0.181 3.844 ( -0.000 6.120 0.000) 6.120 4.322 ( 0.000 -1.104 -0.000) 1.104 4.511 ( 0.000 -2.602 -0.000) 2.602 5.010 ( 0.000 -4.572 -0.000) 4.572 5.134 ( 0.000 -0.888 -0.000) 0.888 5.805 ( -0.000 0.304 0.000) 0.304 6.236 ( -0.000 0.058 0.000) 0.058 6.797 ( 0.000 -1.792 -0.000) 1.792 6.936 ( 0.000 -0.930 -0.000) 0.930 7.404 ( 0.000 -2.095 -0.000) 2.095 7.786 ( -0.000 1.126 0.000) 1.126 7.859 ( -0.000 0.280 0.000) 0.280 8.563 ( -0.000 0.623 0.000) 0.623 8.787 ( -0.000 0.681 0.000) 0.681 10.900 ( 0.000 -0.589 -0.000) 0.589 11.685 ( 0.000 -0.571 -0.000) 0.571 12.244 ( -0.000 1.500 0.000) 1.500 12.444 ( -0.000 0.421 0.000) 0.421 12.926 ( 0.000 -0.358 -0.000) 0.358 13.630 ( -0.000 1.367 0.000) 1.367 13.909 ( 0.000 -0.758 -0.000) 0.758 18.763 ( -0.000 0.743 0.000) 0.743 19.043 ( 0.000 -0.366 -0.000) 0.366 19.658 ( 0.000 -1.266 -0.000) 1.266 19.880 ( 0.000 -0.059 -0.000) 0.059 21.788 ( 0.000 -0.030 -0.000) 0.030 22.997 ( -0.000 1.351 0.000) 1.351 26.133 ( -0.000 1.490 0.000) 1.490 26.689 ( 0.000 -1.914 -0.000) 1.914 27.035 ( 0.000 -1.257 -0.000) 1.257 27.251 ( -0.000 2.027 0.000) 2.027 ======================= Grid point 30 (20/205) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 1.816 0.000 -0.839) 2.001 1.102 ( -0.247 -0.000 8.221) 8.225 1.598 ( -3.595 -0.000 -5.455) 6.533 1.754 ( -0.423 -0.000 0.397) 0.580 2.057 ( 6.331 0.000 4.476) 7.753 2.299 ( -3.247 -0.000 0.526) 3.290 2.422 ( 5.443 0.000 -0.022) 5.443 2.490 ( -0.517 -0.000 -1.085) 1.202 2.913 ( -1.949 -0.000 2.594) 3.244 3.277 ( -6.347 -0.000 -2.957) 7.002 3.465 ( 0.954 0.000 -0.997) 1.380 3.996 ( 0.661 0.000 -2.755) 2.833 4.281 ( 1.446 0.000 2.077) 2.530 4.393 ( -2.344 -0.000 1.390) 2.725 5.024 ( -2.308 -0.000 -1.960) 3.028 5.113 ( -0.723 -0.000 -0.005) 0.723 5.848 ( -1.084 -0.000 0.534) 1.209 6.249 ( 0.260 0.000 -0.509) 0.571 6.784 ( -0.331 -0.000 0.313) 0.455 6.906 ( 0.252 0.000 0.993) 1.025 7.369 ( -0.650 -0.000 0.169) 0.672 7.788 ( 0.893 0.000 -0.825) 1.216 7.951 ( -2.385 -0.000 1.233) 2.685 8.590 ( -0.137 -0.000 -1.368) 1.375 8.779 ( 0.652 0.000 -1.454) 1.593 10.884 ( 0.312 0.000 -0.750) 0.812 11.634 ( 0.839 0.000 -0.173) 0.857 12.233 ( 1.298 0.000 0.446) 1.372 12.455 ( -0.074 -0.000 0.356) 0.364 12.906 ( 0.145 0.000 -0.125) 0.191 13.637 ( 1.063 0.000 -0.420) 1.143 13.897 ( -0.200 -0.000 0.229) 0.304 18.754 ( 0.817 0.000 -0.027) 0.817 18.828 ( 3.772 0.000 1.496) 4.058 19.618 ( 0.210 0.000 -0.477) 0.521 19.890 ( 0.262 0.000 -1.148) 1.178 21.754 ( 0.462 0.000 1.055) 1.152 23.111 ( -1.453 -0.000 -0.413) 1.510 26.202 ( -0.818 -0.000 0.042) 0.819 26.614 ( 2.086 0.000 -0.064) 2.087 26.889 ( 0.104 0.000 5.308) 5.309 27.158 ( 2.870 0.000 -1.518) 3.247 ======================= Grid point 32 (21/205) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 10.748 8.253 10.972) 17.436 1.182 ( 2.662 -4.880 7.162) 9.066 1.447 ( -5.913 8.151 -4.282) 10.942 1.750 ( -1.430 -3.751 0.163) 4.018 2.107 ( -4.106 7.732 1.873) 8.953 2.174 ( -8.518 0.546 0.262) 8.540 2.442 ( 1.529 2.786 -2.317) 3.933 2.579 ( 6.117 -6.501 0.800) 8.962 2.908 ( -0.563 -0.802 1.095) 1.470 3.179 ( -3.529 -1.728 -1.980) 4.400 3.465 ( 0.458 0.563 -2.084) 2.207 4.002 ( 1.492 -0.087 -2.579) 2.981 4.311 ( 1.378 2.585 1.232) 3.178 4.371 ( -1.563 -2.761 1.432) 3.481 4.973 ( -2.007 -0.235 -1.936) 2.799 5.108 ( -0.584 -1.131 0.340) 1.317 5.832 ( -1.151 0.150 0.665) 1.337 6.243 ( -0.338 0.207 -0.618) 0.734 6.783 ( 0.041 -0.105 0.065) 0.130 6.911 ( -0.582 -0.548 0.776) 1.114 7.363 ( -0.463 -0.694 0.172) 0.852 7.800 ( 1.097 0.336 -0.520) 1.260 7.913 ( -3.026 -0.075 1.453) 3.358 8.580 ( 0.145 0.157 -1.478) 1.493 8.785 ( 1.080 0.167 -1.236) 1.650 10.885 ( 0.355 -0.111 -0.780) 0.864 11.650 ( 1.048 -0.170 -0.010) 1.061 12.255 ( 1.193 0.457 0.210) 1.294 12.455 ( -0.111 0.127 0.203) 0.264 12.910 ( 0.231 -0.161 0.094) 0.297 13.650 ( 0.893 0.432 -0.374) 1.060 13.895 ( -0.277 -0.175 0.157) 0.363 18.766 ( 0.734 0.238 0.072) 0.775 18.908 ( 4.810 0.948 1.589) 5.154 19.621 ( 0.387 -0.134 -0.342) 0.534 19.887 ( 0.319 -0.121 -1.608) 1.644 21.769 ( 0.488 0.006 1.140) 1.240 23.080 ( -1.958 -0.251 -0.532) 2.044 26.188 ( -1.037 0.240 0.613) 1.228 26.641 ( 0.628 -0.833 0.111) 1.050 26.933 ( 1.771 0.769 4.451) 4.851 27.207 ( 3.630 0.519 -0.443) 3.694 ======================= Grid point 33 (22/205) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 10.078 19.500 10.554) 24.356 1.245 ( -3.382 15.452 0.026) 15.818 1.395 ( 7.513 -12.376 4.554) 15.177 1.762 ( -1.619 -3.467 -0.645) 3.880 1.834 ( -12.343 15.895 -1.030) 20.151 2.043 ( -8.402 -2.401 -3.367) 9.365 2.466 ( 2.210 -0.656 -0.682) 2.404 2.708 ( 3.562 -2.761 1.129) 4.646 2.912 ( -0.439 -1.405 0.905) 1.728 3.165 ( 0.254 -3.658 -0.576) 3.712 3.449 ( -0.508 0.095 -1.921) 1.989 3.991 ( 0.218 3.801 -2.155) 4.375 4.307 ( -0.256 0.885 0.844) 1.250 4.409 ( 1.619 -3.981 0.768) 4.365 4.945 ( -1.058 -1.949 -1.137) 2.492 5.111 ( -0.344 -1.183 0.374) 1.287 5.818 ( -0.705 0.338 0.453) 0.903 6.233 ( -0.301 -0.151 -0.335) 0.475 6.784 ( -0.032 0.011 -0.145) 0.149 6.909 ( -0.670 -1.384 0.401) 1.589 7.365 ( -0.272 -1.346 0.089) 1.376 7.808 ( 0.563 0.815 -0.343) 1.048 7.876 ( -2.199 -0.128 1.091) 2.458 8.575 ( 0.325 0.390 -0.963) 1.089 8.794 ( 0.903 0.462 -0.662) 1.212 10.888 ( 0.296 -0.328 -0.461) 0.639 11.668 ( 0.716 -0.352 0.050) 0.800 12.267 ( 0.687 0.962 0.066) 1.184 12.453 ( -0.065 0.266 0.049) 0.278 12.916 ( 0.169 -0.277 0.125) 0.347 13.655 ( 0.469 0.972 -0.202) 1.098 13.894 ( -0.184 -0.534 0.073) 0.569 18.774 ( 0.415 0.519 0.096) 0.671 18.990 ( 4.387 0.887 1.366) 4.679 19.629 ( 0.464 -0.553 -0.013) 0.722 19.882 ( 0.215 -0.175 -1.498) 1.524 21.782 ( 0.300 -0.009 0.731) 0.791 23.044 ( -1.971 0.179 -0.502) 2.042 26.171 ( -0.983 0.799 0.639) 1.419 26.651 ( -0.304 -1.470 0.199) 1.514 26.988 ( 2.165 0.323 2.937) 3.662 27.257 ( 3.010 1.214 -0.112) 3.248 ======================= Grid point 34 (23/205) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.000 19.295 0.000) 19.295 1.081 ( -0.000 20.124 0.000) 20.124 1.486 ( -0.000 25.246 0.000) 25.246 1.623 ( 0.000 -9.876 -0.000) 9.876 1.799 ( 0.000 -4.047 -0.000) 4.047 1.961 ( 0.000 -6.962 -0.000) 6.962 2.489 ( 0.000 -0.809 -0.000) 0.809 2.743 ( -0.000 0.348 0.000) 0.348 2.925 ( 0.000 -0.903 -0.000) 0.903 3.211 ( 0.000 -6.404 -0.000) 6.404 3.431 ( -0.000 0.425 0.000) 0.425 3.940 ( -0.000 6.883 0.000) 6.883 4.308 ( 0.000 -0.667 -0.000) 0.667 4.462 ( 0.000 -4.310 -0.000) 4.310 4.952 ( 0.000 -3.390 -0.000) 3.390 5.118 ( 0.000 -1.200 -0.000) 1.200 5.810 ( -0.000 0.446 0.000) 0.446 6.233 ( 0.000 -0.487 -0.000) 0.487 6.782 ( 0.000 -0.219 -0.000) 0.219 6.916 ( 0.000 -1.708 -0.000) 1.708 7.374 ( 0.000 -1.841 -0.000) 1.841 7.803 ( -0.000 1.199 0.000) 1.199 7.861 ( 0.000 -0.008 -0.000) 0.008 8.572 ( -0.000 0.518 0.000) 0.518 8.797 ( -0.000 0.633 0.000) 0.633 10.892 ( 0.000 -0.531 -0.000) 0.531 11.677 ( 0.000 -0.485 -0.000) 0.485 12.265 ( -0.000 1.327 0.000) 1.327 12.450 ( -0.000 0.368 0.000) 0.368 12.920 ( 0.000 -0.348 -0.000) 0.348 13.650 ( -0.000 1.325 0.000) 1.325 13.897 ( 0.000 -0.788 -0.000) 0.788 18.773 ( -0.000 0.713 0.000) 0.713 19.038 ( 0.000 -0.370 -0.000) 0.370 19.641 ( 0.000 -1.108 -0.000) 1.108 19.879 ( 0.000 -0.062 -0.000) 0.062 21.787 ( 0.000 -0.025 -0.000) 0.025 23.016 ( -0.000 1.181 0.000) 1.181 26.155 ( -0.000 1.441 0.000) 1.441 26.661 ( 0.000 -1.901 -0.000) 1.901 27.021 ( 0.000 -0.649 -0.000) 0.649 27.276 ( -0.000 1.413 0.000) 1.413 ======================= Grid point 41 (24/205) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 15.891 0.000 13.295) 20.719 1.226 ( 1.792 0.000 3.481) 3.915 1.383 ( -2.917 -0.000 -1.967) 3.519 1.709 ( -1.462 -0.000 0.545) 1.561 1.985 ( -9.682 -0.000 0.728) 9.709 2.006 ( -12.025 -0.000 -6.616) 13.725 2.473 ( 2.376 0.000 -0.368) 2.405 2.673 ( 5.585 0.000 1.516) 5.787 2.898 ( -1.010 -0.000 0.166) 1.024 3.139 ( -0.166 -0.000 -0.580) 0.603 3.450 ( -0.452 -0.000 -2.127) 2.175 4.022 ( 1.774 0.000 -1.587) 2.380 4.326 ( -1.941 -0.000 0.993) 2.180 4.366 ( 2.017 0.000 0.533) 2.086 4.931 ( -1.359 -0.000 -1.292) 1.876 5.102 ( -0.173 -0.000 0.489) 0.518 5.821 ( -0.703 -0.000 0.558) 0.897 6.231 ( -0.539 -0.000 -0.485) 0.725 6.786 ( 0.194 0.000 0.079) 0.210 6.898 ( -0.915 -0.000 0.343) 0.977 7.355 ( -0.289 -0.000 0.107) 0.308 7.814 ( 0.718 0.000 -0.356) 0.801 7.875 ( -2.219 -0.000 1.064) 2.460 8.577 ( 0.353 0.000 -1.026) 1.085 8.798 ( 0.923 0.000 -0.631) 1.118 10.885 ( 0.258 0.000 -0.498) 0.561 11.665 ( 0.717 0.000 0.035) 0.718 12.274 ( 0.715 0.000 0.060) 0.717 12.455 ( -0.078 -0.000 0.098) 0.125 12.914 ( 0.182 0.000 0.111) 0.214 13.662 ( 0.538 0.000 -0.235) 0.587 13.890 ( -0.269 -0.000 0.073) 0.279 18.778 ( 0.456 0.000 0.056) 0.460 18.995 ( 3.740 0.000 1.193) 3.926 19.625 ( 0.357 0.000 -0.178) 0.399 19.881 ( 0.146 0.000 -1.139) 1.148 21.782 ( 0.290 0.000 0.737) 0.792 23.046 ( -1.569 -0.000 -0.417) 1.623 26.177 ( -0.693 -0.000 0.439) 0.821 26.640 ( -0.309 -0.000 0.216) 0.377 26.990 ( 1.835 0.000 2.468) 3.076 27.265 ( 2.816 0.000 0.165) 2.821 ======================= Grid point 43 (25/205) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -0.000 16.247 0.000) 16.247 1.313 ( -0.000 10.876 0.000) 10.876 1.428 ( 0.000 -13.849 -0.000) 13.849 1.717 ( 0.000 -4.233 -0.000) 4.233 1.780 ( -0.000 9.024 0.000) 9.024 1.900 ( 0.000 -1.055 -0.000) 1.055 2.492 ( -0.000 0.851 0.000) 0.851 2.737 ( 0.000 -1.088 -0.000) 1.088 2.892 ( 0.000 -2.231 -0.000) 2.231 3.147 ( 0.000 -2.281 -0.000) 2.281 3.437 ( -0.000 0.246 0.000) 0.246 4.020 ( -0.000 3.494 0.000) 3.494 4.308 ( -0.000 0.609 0.000) 0.609 4.400 ( 0.000 -3.462 -0.000) 3.462 4.919 ( 0.000 -1.172 -0.000) 1.172 5.104 ( 0.000 -0.540 -0.000) 0.540 5.816 ( -0.000 0.230 0.000) 0.230 6.226 ( 0.000 -0.354 -0.000) 0.354 6.786 ( -0.000 0.460 0.000) 0.460 6.894 ( 0.000 -1.090 -0.000) 1.090 7.355 ( 0.000 -0.725 -0.000) 0.725 7.817 ( -0.000 0.611 0.000) 0.611 7.859 ( 0.000 -0.151 -0.000) 0.151 8.577 ( -0.000 0.197 0.000) 0.197 8.803 ( -0.000 0.259 0.000) 0.259 10.887 ( 0.000 -0.213 -0.000) 0.213 11.672 ( 0.000 -0.187 -0.000) 0.187 12.278 ( -0.000 0.527 0.000) 0.527 12.454 ( -0.000 0.145 0.000) 0.145 12.917 ( 0.000 -0.147 -0.000) 0.147 13.664 ( -0.000 0.567 0.000) 0.567 13.889 ( 0.000 -0.355 -0.000) 0.355 18.781 ( -0.000 0.300 0.000) 0.300 19.034 ( 0.000 -0.161 -0.000) 0.161 19.629 ( 0.000 -0.437 -0.000) 0.437 19.878 ( 0.000 -0.027 -0.000) 0.027 21.787 ( 0.000 -0.010 -0.000) 0.010 23.028 ( -0.000 0.465 0.000) 0.465 26.170 ( -0.000 0.613 0.000) 0.613 26.640 ( 0.000 -0.811 -0.000) 0.811 27.015 ( 0.000 -0.178 -0.000) 0.178 27.290 ( -0.000 0.496 0.000) 0.496 ======================= Grid point 85 (26/205) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 1.194 0.000 19.012) 19.050 0.527 ( -1.047 -0.000 25.435) 25.457 1.009 ( -21.662 -0.000 44.743) 49.711 1.832 ( 0.988 0.000 0.001) 0.988 1.932 ( 0.275 0.000 0.802) 0.848 2.065 ( -6.172 -0.000 -4.009) 7.360 2.457 ( -0.574 -0.000 4.978) 5.011 2.687 ( 2.477 0.000 -0.083) 2.479 3.047 ( -5.403 -0.000 7.599) 9.324 3.291 ( 0.834 0.000 6.437) 6.491 3.382 ( -2.416 -0.000 4.327) 4.956 3.978 ( 15.773 0.000 2.201) 15.926 4.174 ( 0.636 0.000 -5.255) 5.294 4.421 ( -0.500 -0.000 -1.487) 1.569 5.114 ( 0.743 0.000 0.610) 0.962 5.300 ( -6.862 -0.000 -5.017) 8.500 5.976 ( -3.277 -0.000 10.992) 11.470 6.155 ( 0.197 0.000 -0.733) 0.759 6.820 ( 2.684 0.000 -6.878) 7.383 6.892 ( 1.018 0.000 -4.357) 4.474 7.486 ( -0.391 -0.000 2.678) 2.706 7.712 ( 4.525 0.000 -10.538) 11.469 7.741 ( -2.473 -0.000 -1.300) 2.794 8.669 ( -3.760 -0.000 10.687) 11.329 8.968 ( -4.677 -0.000 10.371) 11.377 10.927 ( -0.445 -0.000 1.857) 1.910 11.701 ( -0.381 -0.000 0.585) 0.698 12.170 ( 1.816 0.000 -4.900) 5.226 12.450 ( 0.143 0.000 0.479) 0.499 12.861 ( 1.838 0.000 -5.478) 5.778 13.636 ( -1.105 -0.000 2.895) 3.099 13.908 ( 0.398 0.000 -1.363) 1.420 18.592 ( 1.141 0.000 -0.324) 1.186 18.805 ( -2.009 -0.000 -1.658) 2.605 19.654 ( -0.873 -0.000 2.415) 2.568 20.294 ( -1.305 -0.000 1.334) 1.866 21.758 ( 0.393 0.000 -2.878) 2.904 22.868 ( 9.559 0.000 -11.842) 15.218 26.264 ( -20.322 -0.000 1.661) 20.390 26.636 ( -0.369 -0.000 1.770) 1.808 26.732 ( 1.383 0.000 -1.848) 2.308 27.252 ( 4.277 0.000 -2.769) 5.095 ======================= Grid point 86 (27/205) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 14.602 9.240 14.257) 22.403 0.765 ( 7.890 -3.029 19.186) 20.965 1.064 ( -6.661 -15.177 32.822) 36.770 1.767 ( -6.369 10.031 -3.008) 12.257 1.885 ( -4.283 -6.094 -4.166) 8.535 1.986 ( -2.314 0.150 4.395) 4.969 2.496 ( -0.797 -5.457 3.440) 6.500 2.809 ( 6.827 -0.808 1.810) 7.109 2.965 ( -8.689 1.758 9.370) 12.899 3.359 ( 2.007 1.918 6.303) 6.887 3.410 ( 1.611 -1.680 1.320) 2.676 4.111 ( 4.568 7.123 -3.116) 9.017 4.205 ( 4.170 -3.881 -6.318) 8.507 4.403 ( -0.336 -0.616 -2.804) 2.891 5.116 ( -0.592 2.911 0.572) 3.025 5.174 ( -3.750 -0.859 0.856) 3.941 5.957 ( -5.482 1.028 11.738) 12.996 6.166 ( 0.836 -1.466 -0.987) 1.955 6.806 ( 1.352 1.045 -5.113) 5.391 6.876 ( 0.481 -0.662 -4.841) 4.910 7.495 ( -1.326 0.712 5.131) 5.347 7.715 ( 1.669 0.336 -4.479) 4.792 7.735 ( 4.943 -0.624 -9.455) 10.687 8.683 ( -2.991 -0.420 10.871) 11.283 8.936 ( -5.885 0.901 12.106) 13.491 10.927 ( -0.935 0.128 2.044) 2.251 11.691 ( -1.131 0.209 0.323) 1.195 12.168 ( 1.391 -0.469 -4.868) 5.084 12.452 ( -0.160 0.034 0.650) 0.670 12.857 ( 1.810 -0.148 -5.706) 5.988 13.638 ( -1.117 -0.494 2.870) 3.119 13.904 ( 0.205 0.216 -1.256) 1.290 18.637 ( 1.665 -4.618 -0.822) 4.978 18.763 ( -2.115 -1.123 -0.628) 2.476 19.652 ( -1.139 -0.007 2.313) 2.578 20.143 ( -11.260 2.859 8.829) 14.592 21.743 ( 0.140 -0.036 -3.247) 3.250 22.974 ( 10.797 1.640 -16.251) 19.580 26.138 ( -0.881 -0.435 2.699) 2.873 26.643 ( -2.478 -4.277 1.042) 5.052 26.759 ( 2.589 -0.196 -1.200) 2.861 27.215 ( -3.215 0.109 -3.236) 4.563 ======================= Grid point 87 (28/205) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 9.786 16.538 9.564) 21.465 1.020 ( 3.421 -8.678 18.317) 20.555 1.359 ( 7.768 -18.022 6.412) 20.646 1.534 ( -8.700 7.178 -1.024) 11.326 1.891 ( 0.333 -5.794 5.143) 7.754 1.980 ( -2.195 0.252 4.925) 5.398 2.531 ( -1.627 -3.738 3.327) 5.262 2.826 ( -8.418 2.330 5.335) 10.234 2.938 ( 1.484 -0.805 6.521) 6.736 3.416 ( 2.973 2.335 4.398) 5.799 3.445 ( -0.020 -0.127 1.946) 1.951 4.105 ( 1.299 1.364 -3.713) 4.163 4.222 ( 0.814 1.859 -2.156) 2.961 4.386 ( 0.740 0.339 -3.391) 3.488 5.077 ( -0.627 3.386 -0.114) 3.445 5.171 ( -0.325 -1.624 1.393) 2.164 5.943 ( -3.819 0.780 10.278) 10.992 6.187 ( 1.152 -1.362 -0.906) 2.001 6.786 ( 0.892 1.355 -4.611) 4.888 6.861 ( 0.804 -1.129 -5.239) 5.419 7.493 ( -2.466 1.177 6.502) 7.053 7.716 ( 1.845 -0.244 -5.010) 5.344 7.768 ( 6.136 -0.067 -10.567) 12.220 8.708 ( -2.808 -0.534 11.046) 11.410 8.916 ( -5.043 0.434 11.562) 12.621 10.921 ( -1.231 0.102 2.145) 2.475 11.668 ( -1.488 0.240 0.127) 1.513 12.163 ( 1.264 -0.634 -4.856) 5.058 12.455 ( -0.088 0.004 0.742) 0.748 12.851 ( 1.809 -0.143 -5.810) 6.086 13.641 ( -1.143 -0.783 2.874) 3.190 13.897 ( 0.142 0.290 -1.126) 1.172 18.686 ( 1.397 -3.216 -0.895) 3.619 18.742 ( -0.978 -1.457 -0.827) 1.940 19.646 ( -1.214 0.012 2.155) 2.473 20.036 ( -6.650 1.441 7.718) 10.290 21.725 ( 0.300 0.010 -3.264) 3.277 23.007 ( 6.901 1.554 -14.703) 16.316 26.167 ( 1.635 -0.453 0.883) 1.913 26.633 ( -2.643 -3.854 0.876) 4.755 26.794 ( 2.456 1.379 -0.406) 2.846 27.146 ( -2.397 -0.784 -3.513) 4.324 ======================= Grid point 88 (29/205) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -2.594 12.829 4.041) 13.698 1.202 ( 1.681 -4.249 10.447) 11.403 1.451 ( 1.450 -1.114 4.991) 5.315 1.571 ( 2.709 -9.133 0.898) 9.568 1.956 ( -2.509 1.500 6.026) 6.697 2.081 ( 8.004 -10.171 7.083) 14.754 2.535 ( -2.330 0.380 4.109) 4.739 2.687 ( -8.977 1.463 4.051) 9.956 2.993 ( -0.811 0.934 7.655) 7.755 3.432 ( -2.361 1.621 3.125) 4.239 3.479 ( 2.680 0.737 2.429) 3.692 4.084 ( -0.889 -1.054 -3.891) 4.128 4.202 ( 0.273 3.272 -0.055) 3.284 4.384 ( 1.986 0.793 -3.296) 3.929 5.049 ( -0.424 2.355 0.277) 2.409 5.186 ( -0.037 -1.164 0.502) 1.268 5.945 ( -2.883 0.521 9.216) 9.670 6.209 ( 0.992 -0.998 -0.839) 1.638 6.761 ( 0.796 1.360 -4.671) 4.930 6.854 ( 1.463 -0.826 -5.229) 5.492 7.481 ( -2.969 1.050 7.050) 7.721 7.714 ( 1.480 -0.500 -4.846) 5.091 7.803 ( 6.155 0.061 -11.279) 12.849 8.732 ( -3.248 -0.491 11.157) 11.630 8.902 ( -4.839 0.093 10.721) 11.762 10.913 ( -1.308 -0.035 2.037) 2.421 11.644 ( -1.194 0.051 0.110) 1.200 12.158 ( 1.413 -0.346 -4.978) 5.186 12.457 ( -0.093 0.128 0.720) 0.737 12.848 ( 1.937 -0.257 -5.677) 6.004 13.646 ( -1.186 -0.802 2.879) 3.215 13.892 ( 0.241 0.277 -1.037) 1.100 18.714 ( 0.866 -0.986 -1.100) 1.713 18.739 ( -0.179 -1.535 -0.880) 1.779 19.640 ( -1.103 -0.086 1.991) 2.278 19.981 ( -4.371 0.700 5.856) 7.341 21.714 ( 0.794 0.070 -2.917) 3.024 23.010 ( 5.449 0.831 -13.579) 14.655 26.201 ( 0.978 -0.529 1.752) 2.075 26.625 ( -2.042 -3.353 1.306) 4.137 26.810 ( 1.953 3.663 -0.741) 4.217 27.110 ( -0.537 -1.936 -3.017) 3.625 ======================= Grid point 89 (30/205) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -5.564 0.557 7.002) 8.960 1.294 ( 2.078 0.068 5.279) 5.673 1.535 ( -1.900 -1.422 10.131) 10.405 1.656 ( 1.831 -4.552 1.720) 5.199 1.944 ( -1.199 1.904 5.571) 6.008 2.320 ( 6.122 -8.146 4.592) 11.177 2.475 ( -5.767 4.401 3.475) 8.044 2.610 ( -2.400 -0.775 4.444) 5.110 2.990 ( -3.358 3.482 8.402) 9.695 3.397 ( -2.571 0.727 3.228) 4.191 3.509 ( -0.446 -0.325 0.659) 0.859 4.055 ( -0.978 -2.394 -2.717) 3.751 4.185 ( 0.669 3.516 -0.757) 3.659 4.394 ( 2.082 0.797 -2.850) 3.618 5.034 ( -0.480 0.470 0.950) 1.164 5.189 ( -0.289 -0.572 -0.602) 0.879 5.951 ( -2.951 0.231 8.889) 9.369 6.221 ( 0.456 -0.368 -0.930) 1.099 6.737 ( 1.226 1.200 -5.181) 5.458 6.856 ( 2.198 -0.120 -4.818) 5.297 7.470 ( -2.914 0.697 6.856) 7.482 7.717 ( 1.584 -1.263 -3.998) 4.482 7.826 ( 5.208 0.215 -11.565) 12.686 8.744 ( -4.114 -0.381 11.114) 11.857 8.889 ( -4.662 -0.400 10.047) 11.083 10.904 ( -1.204 -0.136 1.739) 2.120 11.632 ( -0.440 -0.249 0.292) 0.583 12.153 ( 1.802 0.263 -5.205) 5.515 12.458 ( -0.180 0.332 0.602) 0.711 12.849 ( 2.121 -0.443 -5.340) 5.763 13.649 ( -1.221 -0.523 2.896) 3.186 13.889 ( 0.385 0.248 -1.030) 1.127 18.722 ( 0.691 -0.127 -1.105) 1.309 18.739 ( 0.191 -0.032 -1.176) 1.192 19.636 ( -0.926 -0.233 1.876) 2.105 19.948 ( -3.179 0.327 4.534) 5.547 21.715 ( 1.372 0.154 -2.350) 2.725 23.010 ( 4.935 0.104 -13.025) 13.929 26.232 ( 0.259 -1.154 3.191) 3.403 26.629 ( -1.065 -2.080 1.930) 3.031 26.802 ( 1.903 4.763 -1.780) 5.429 27.113 ( 0.583 -2.321 -1.631) 2.896 ======================= Grid point 90 (31/205) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -1.130 -8.198 9.952) 12.943 1.338 ( -1.625 -3.008 3.036) 4.572 1.495 ( -8.295 5.055 11.801) 15.285 1.722 ( 0.540 -1.895 4.215) 4.653 1.971 ( 1.906 2.416 5.754) 6.526 2.316 ( -9.227 7.344 3.489) 12.298 2.450 ( 0.796 -1.697 0.740) 2.015 2.641 ( -0.528 -0.975 10.207) 10.267 2.970 ( -0.862 2.640 6.026) 6.635 3.389 ( -1.040 -1.710 2.441) 3.157 3.476 ( -3.871 -1.521 -0.467) 4.186 4.044 ( -1.071 -3.049 -4.168) 5.274 4.173 ( 1.856 3.244 -0.252) 3.745 4.403 ( 1.574 0.641 -2.406) 2.946 5.038 ( -0.407 -1.532 1.433) 2.136 5.178 ( -0.418 -0.177 -1.318) 1.394 5.952 ( -3.608 -0.001 9.011) 9.707 6.218 ( -0.023 0.284 -0.979) 1.020 6.721 ( 2.058 0.890 -5.950) 6.358 6.867 ( 2.665 0.645 -4.302) 5.102 7.461 ( -2.537 0.381 6.038) 6.560 7.735 ( 1.750 -2.045 -3.180) 4.166 7.827 ( 3.791 0.549 -11.164) 11.802 8.739 ( -5.003 -0.249 10.873) 11.971 8.881 ( -4.330 -1.003 9.802) 10.762 10.898 ( -0.875 -0.211 1.446) 1.703 11.637 ( 0.382 -0.497 0.556) 0.838 12.150 ( 2.337 0.823 -5.342) 5.889 12.454 ( -0.267 0.463 0.454) 0.701 12.856 ( 2.181 -0.504 -5.038) 5.513 13.649 ( -1.223 -0.065 2.924) 3.170 13.888 ( 0.545 0.168 -1.064) 1.207 18.721 ( 0.576 1.857 -1.825) 2.666 18.736 ( 0.732 0.422 -0.640) 1.060 19.636 ( -0.716 -0.306 1.866) 2.022 19.926 ( -2.377 0.146 3.746) 4.439 21.727 ( 1.747 0.236 -1.820) 2.534 23.010 ( 4.693 -0.609 -12.924) 13.764 26.269 ( -0.340 -2.554 4.648) 5.314 26.644 ( 0.367 -0.034 2.405) 2.433 26.790 ( 2.177 4.674 -2.042) 5.545 27.132 ( 0.591 -1.756 -1.026) 2.118 ======================= Grid point 91 (32/205) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -6.724 -6.085 9.845) 13.385 1.241 ( -13.050 4.668 4.800) 14.667 1.467 ( 0.162 -3.162 8.373) 8.952 1.746 ( -3.473 0.893 8.007) 8.773 2.004 ( -3.221 8.820 3.120) 9.894 2.098 ( -8.182 4.682 9.840) 13.627 2.449 ( -0.627 1.402 1.323) 2.027 2.722 ( 1.092 0.443 11.640) 11.699 2.990 ( 1.160 1.311 1.187) 2.115 3.380 ( -4.678 -3.838 -0.790) 6.102 3.445 ( -0.573 -2.811 2.567) 3.849 3.991 ( -2.686 -1.288 -7.099) 7.699 4.200 ( 2.918 1.566 -0.467) 3.344 4.410 ( 1.268 0.368 -1.555) 2.040 5.059 ( -0.087 -2.455 1.463) 2.859 5.171 ( 0.197 -0.945 -0.636) 1.156 5.943 ( -4.326 -0.066 9.198) 10.165 6.207 ( -0.112 0.773 -0.734) 1.072 6.719 ( 2.960 0.398 -6.609) 7.252 6.880 ( 2.763 1.181 -3.987) 4.993 7.456 ( -1.918 0.067 4.854) 5.220 7.754 ( 1.371 -1.868 -4.735) 5.272 7.810 ( 2.494 0.773 -8.323) 8.723 8.719 ( -5.506 -0.105 10.543) 11.895 8.882 ( -4.103 -1.414 10.146) 11.035 10.898 ( -0.371 -0.317 1.347) 1.432 11.656 ( 0.887 -0.590 0.743) 1.299 12.153 ( 2.777 1.046 -5.257) 6.037 12.449 ( -0.295 0.433 0.362) 0.636 12.864 ( 2.067 -0.339 -4.970) 5.394 13.646 ( -1.194 0.357 2.947) 3.199 13.892 ( 0.736 -0.014 -1.083) 1.309 18.696 ( 0.875 4.203 -2.560) 4.998 18.748 ( 1.215 0.611 0.229) 1.379 19.640 ( -0.469 -0.200 1.956) 2.022 19.915 ( -1.671 0.030 3.906) 4.249 21.744 ( 1.761 0.271 -1.587) 2.386 23.010 ( 4.282 -1.381 -13.424) 14.158 26.317 ( -1.108 -5.212 5.983) 8.012 26.673 ( 1.845 1.611 2.752) 3.684 26.784 ( 2.778 5.424 -1.234) 6.218 27.137 ( -0.119 -0.691 -1.995) 2.115 ======================= Grid point 92 (33/205) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -15.773 -1.997 9.228) 18.383 0.951 ( -18.302 11.785 5.710) 22.504 1.480 ( -17.403 5.263 18.172) 25.705 1.694 ( -1.943 -5.096 9.265) 10.751 1.893 ( 0.685 4.434 2.104) 4.956 2.136 ( 0.907 0.859 8.072) 8.168 2.436 ( 0.439 3.308 0.437) 3.366 2.804 ( 0.482 1.179 10.707) 10.783 2.986 ( 0.409 1.087 -3.297) 3.496 3.318 ( -4.941 -3.467 0.511) 6.058 3.489 ( 0.286 -3.080 2.697) 4.104 3.888 ( -4.679 -0.313 -7.661) 8.982 4.221 ( 2.286 2.258 -3.011) 4.404 4.423 ( 1.252 0.251 -0.579) 1.402 5.081 ( 0.397 -1.327 0.221) 1.402 5.208 ( 1.776 -4.022 2.803) 5.214 5.927 ( -4.466 -0.008 9.466) 10.466 6.193 ( -0.099 1.592 -0.587) 1.699 6.734 ( 3.855 -0.607 -6.576) 7.647 6.892 ( 2.625 1.296 -3.909) 4.884 7.458 ( -1.051 -0.312 3.516) 3.683 7.740 ( 1.722 -0.464 -9.493) 9.659 7.803 ( 0.746 0.203 -2.293) 2.420 8.694 ( -5.363 0.035 10.337) 11.646 8.892 ( -3.921 -1.605 11.247) 12.018 10.907 ( 0.022 -0.360 1.452) 1.496 11.680 ( 0.856 -0.511 0.746) 1.245 12.161 ( 2.824 0.912 -5.057) 5.863 12.444 ( -0.250 0.286 0.398) 0.550 12.867 ( 1.929 -0.050 -5.116) 5.468 13.642 ( -1.135 0.544 2.946) 3.204 13.899 ( 0.843 -0.190 -1.105) 1.403 18.660 ( 1.498 6.335 -3.114) 7.216 18.772 ( 1.986 1.232 1.167) 2.612 19.647 ( -0.324 0.088 2.044) 2.072 19.929 ( -0.166 -0.342 6.799) 6.810 21.759 ( 1.435 0.253 -1.773) 2.295 22.997 ( 2.986 -2.138 -15.027) 15.469 26.384 ( -2.344 -10.446 6.656) 12.606 26.710 ( 1.270 0.615 1.751) 2.248 26.798 ( 6.172 10.523 0.933) 12.235 27.106 ( -1.458 0.632 -3.827) 4.144 ======================= Grid point 93 (34/205) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -18.908 1.783 9.051) 21.039 0.585 ( -18.862 7.672 13.867) 24.636 1.203 ( -27.648 7.601 39.758) 49.019 1.801 ( 1.599 -6.561 0.970) 6.822 1.910 ( 1.932 3.068 1.480) 3.916 2.157 ( -1.714 1.760 0.985) 2.646 2.432 ( 0.662 1.839 2.634) 3.280 2.794 ( -5.067 2.289 -3.959) 6.826 3.001 ( 2.475 -1.720 4.019) 5.024 3.282 ( -1.741 0.706 2.864) 3.426 3.482 ( -6.226 -1.495 -1.940) 6.690 3.789 ( -1.264 0.713 5.194) 5.393 4.206 ( 1.395 3.175 -4.826) 5.943 4.432 ( 0.486 0.575 -0.758) 1.068 5.097 ( 0.788 -0.514 -0.134) 0.950 5.314 ( 3.167 -6.434 1.392) 7.305 5.928 ( -2.530 -0.335 11.217) 11.504 6.173 ( -0.041 2.460 -1.005) 2.658 6.778 ( 4.969 -1.954 -5.893) 7.952 6.897 ( 1.995 1.070 -4.059) 4.647 7.471 ( 0.000 -0.663 2.093) 2.196 7.716 ( 2.937 -0.113 -10.513) 10.917 7.790 ( -1.377 0.076 -0.794) 1.591 8.674 ( -4.634 0.173 10.390) 11.378 8.926 ( -2.312 -2.192 12.780) 13.171 10.919 ( -0.008 -0.193 1.638) 1.650 11.698 ( 0.289 -0.280 0.600) 0.722 12.168 ( 2.409 0.542 -4.937) 5.520 12.443 ( -0.002 0.077 0.674) 0.679 12.865 ( 1.879 0.198 -5.341) 5.665 13.638 ( -1.092 0.453 2.908) 3.139 13.907 ( 0.717 -0.221 -1.230) 1.441 18.616 ( 1.423 7.359 -2.961) 8.059 18.810 ( 2.739 1.741 0.235) 3.254 19.652 ( -0.534 0.246 2.184) 2.262 20.056 ( 8.744 -2.951 14.145) 16.889 21.764 ( 0.908 0.207 -2.302) 2.483 22.930 ( -1.089 -1.445 -16.847) 16.944 26.460 ( -6.743 -19.788 2.725) 21.082 26.719 ( -0.486 0.894 -0.237) 1.045 26.786 ( 2.125 18.564 -9.170) 20.814 27.096 ( 5.713 1.133 5.510) 8.018 ======================= Grid point 95 (35/205) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 7.501 0.000 16.752) 18.355 1.013 ( 8.284 0.000 6.620) 10.604 1.169 ( 7.247 0.000 15.622) 17.221 1.603 ( -10.535 -0.000 -4.093) 11.302 1.838 ( 0.342 0.000 5.399) 5.410 1.981 ( -2.543 -0.000 5.525) 6.082 2.497 ( -0.121 -0.000 4.333) 4.334 2.843 ( -9.620 -0.000 7.522) 12.211 2.933 ( 2.506 0.000 4.808) 5.421 3.437 ( 1.918 0.000 0.841) 2.094 3.440 ( 1.523 0.000 4.737) 4.976 4.114 ( -0.723 -0.000 -4.818) 4.872 4.241 ( 2.498 0.000 -2.465) 3.509 4.387 ( 0.879 0.000 -3.037) 3.162 5.125 ( -0.893 -0.000 -0.451) 1.000 5.136 ( -0.426 -0.000 1.359) 1.424 5.949 ( -4.147 -0.000 10.554) 11.340 6.177 ( 1.477 0.000 -0.782) 1.671 6.797 ( 0.885 0.000 -4.722) 4.804 6.850 ( 0.598 0.000 -4.901) 4.937 7.502 ( -2.642 -0.000 6.564) 7.076 7.715 ( 1.907 0.000 -5.112) 5.456 7.767 ( 6.253 0.000 -10.653) 12.353 8.704 ( -2.720 -0.000 11.060) 11.390 8.920 ( -5.282 -0.000 11.612) 12.757 10.922 ( -1.303 -0.000 2.143) 2.508 11.669 ( -1.549 -0.000 0.071) 1.551 12.159 ( 1.363 0.000 -4.739) 4.931 12.455 ( -0.089 -0.000 0.794) 0.799 12.850 ( 1.825 0.000 -5.863) 6.141 13.636 ( -1.075 -0.000 2.890) 3.083 13.900 ( 0.093 0.000 -1.120) 1.124 18.659 ( 2.278 0.000 0.584) 2.351 18.733 ( -0.702 -0.000 -0.954) 1.184 19.646 ( -1.218 -0.000 2.134) 2.458 20.047 ( -7.454 -0.000 7.886) 10.852 21.725 ( 0.320 0.000 -3.260) 3.275 23.019 ( 6.679 0.000 -15.537) 16.911 26.165 ( 2.063 0.000 0.307) 2.086 26.600 ( -2.306 -0.000 1.907) 2.993 26.806 ( 2.964 0.000 0.491) 3.005 27.140 ( -2.617 -0.000 -4.017) 4.795 ======================= Grid point 96 (36/205) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -6.158 9.561 -5.756) 12.746 1.149 ( 5.850 -2.198 14.909) 16.166 1.371 ( 3.605 -7.223 2.046) 8.328 1.536 ( 2.773 1.475 8.698) 9.248 1.963 ( 4.906 -2.810 7.003) 9.000 1.972 ( 0.224 -1.754 5.749) 6.014 2.526 ( -0.404 -0.885 4.103) 4.216 2.701 ( -11.241 0.538 6.374) 12.934 3.003 ( 0.734 0.446 7.659) 7.707 3.458 ( -0.812 1.912 2.176) 3.008 3.479 ( 1.037 -0.822 1.774) 2.213 4.067 ( -1.809 -0.811 -3.835) 4.317 4.247 ( 0.610 2.087 -0.440) 2.218 4.390 ( 1.782 0.135 -3.231) 3.693 5.094 ( -0.402 3.793 -0.226) 3.821 5.151 ( -0.630 -3.423 0.376) 3.501 5.951 ( -3.137 0.277 9.388) 9.902 6.199 ( 1.469 -0.362 -0.703) 1.669 6.777 ( 0.672 0.794 -4.645) 4.760 6.840 ( 1.505 -0.803 -4.741) 5.039 7.491 ( -3.531 0.363 7.364) 8.175 7.712 ( 1.852 0.008 -5.780) 6.069 7.803 ( 6.074 -0.070 -11.218) 12.757 8.727 ( -3.121 -0.198 11.106) 11.538 8.904 ( -5.026 0.096 10.675) 11.800 10.912 ( -1.399 -0.026 2.030) 2.466 11.644 ( -1.318 0.021 -0.030) 1.318 12.155 ( 1.667 -0.131 -4.698) 4.986 12.459 ( -0.052 0.051 0.878) 0.881 12.845 ( 1.916 -0.130 -5.882) 6.188 13.638 ( -0.968 -0.307 2.828) 3.005 13.895 ( 0.164 0.111 -0.971) 0.991 18.701 ( 1.933 -0.601 0.144) 2.030 18.723 ( 0.103 -0.540 -1.113) 1.241 19.639 ( -1.118 -0.016 1.875) 2.183 19.989 ( -4.857 0.275 6.033) 7.750 21.715 ( 0.808 0.028 -2.856) 2.968 23.020 ( 5.086 0.403 -14.131) 15.024 26.198 ( 1.336 -0.043 0.911) 1.618 26.585 ( -1.627 -1.721 1.985) 3.090 26.853 ( 2.406 1.849 1.356) 3.323 27.087 ( -0.722 -1.036 -4.540) 4.713 ======================= Grid point 97 (37/205) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -9.218 5.388 -0.671) 10.698 1.296 ( 0.594 -0.242 10.050) 10.070 1.478 ( 2.629 -3.813 5.194) 6.959 1.657 ( 5.380 2.222 5.748) 8.180 1.963 ( -1.178 0.789 5.321) 5.507 2.201 ( 8.973 -7.497 3.889) 12.322 2.521 ( -5.459 2.236 5.451) 8.032 2.585 ( -4.755 -2.238 5.237) 7.419 3.037 ( -1.963 2.721 9.100) 9.698 3.420 ( -2.844 2.219 1.922) 4.088 3.496 ( -1.326 -1.480 0.480) 2.045 4.022 ( -1.936 -1.962 -2.842) 3.959 4.236 ( 0.761 3.246 -0.222) 3.341 4.400 ( 1.669 0.044 -2.877) 3.326 5.059 ( -0.945 2.840 0.381) 3.017 5.162 ( -0.825 -3.062 -0.548) 3.218 5.955 ( -3.066 0.286 8.830) 9.352 6.218 ( 1.071 -0.062 -0.763) 1.316 6.753 ( 0.900 1.027 -4.773) 4.965 6.850 ( 2.387 -0.650 -4.405) 5.052 7.476 ( -3.612 0.174 7.421) 8.255 7.707 ( 1.832 -0.248 -5.392) 5.700 7.826 ( 5.244 -0.103 -11.644) 12.771 8.739 ( -4.015 -0.269 11.092) 11.799 8.885 ( -4.872 -0.115 9.822) 10.964 10.902 ( -1.261 -0.124 1.697) 2.117 11.629 ( -0.569 -0.163 0.088) 0.598 12.156 ( 2.135 0.184 -4.845) 5.298 12.462 ( -0.132 0.226 0.846) 0.886 12.843 ( 2.103 -0.349 -5.652) 6.041 13.643 ( -0.829 -0.319 2.720) 2.862 13.892 ( 0.294 0.161 -0.892) 0.953 18.721 ( 0.872 -0.036 -1.077) 1.387 18.737 ( 1.455 -0.210 -0.510) 1.557 19.633 ( -0.939 -0.119 1.708) 1.952 19.952 ( -3.432 0.202 4.651) 5.784 21.717 ( 1.379 0.101 -2.217) 2.613 23.011 ( 4.533 0.119 -13.328) 14.078 26.222 ( 0.333 -0.294 2.299) 2.342 26.595 ( -0.431 -2.170 2.034) 3.006 26.871 ( 1.714 4.376 0.835) 4.773 27.078 ( 0.983 -2.487 -3.370) 4.302 ======================= Grid point 98 (38/205) ======================= q-point: (-0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -1.828 -1.120 10.141) 10.365 1.327 ( -2.327 0.540 6.605) 7.024 1.527 ( -4.845 1.163 10.817) 11.910 1.733 ( 3.293 2.695 0.900) 4.349 2.001 ( 2.541 1.555 5.630) 6.370 2.368 ( 0.923 -2.854 1.578) 3.389 2.430 ( -3.614 2.071 3.656) 5.543 2.609 ( -0.941 -3.386 7.684) 8.450 3.019 ( -3.364 3.974 9.308) 10.665 3.374 ( -3.027 -0.779 0.657) 3.194 3.458 ( -3.718 -0.665 -0.065) 3.777 4.000 ( -1.026 -2.931 -2.627) 4.068 4.225 ( 1.246 3.692 -0.683) 3.956 4.407 ( 1.037 -0.233 -2.475) 2.693 5.032 ( -1.175 0.736 1.245) 1.864 5.160 ( -1.035 -2.367 -1.244) 2.867 5.954 ( -3.549 0.208 8.802) 9.492 6.224 ( 0.516 0.512 -0.953) 1.199 6.735 ( 1.504 0.930 -5.114) 5.411 6.870 ( 2.763 -0.136 -4.018) 4.878 7.463 ( -3.207 -0.087 6.801) 7.520 7.713 ( 2.099 -0.986 -4.431) 5.001 7.831 ( 4.018 0.070 -11.496) 12.178 8.735 ( -4.953 -0.261 10.940) 12.012 8.870 ( -4.394 -0.534 9.331) 10.328 10.894 ( -0.935 -0.236 1.324) 1.638 11.630 ( 0.296 -0.426 0.355) 0.629 12.162 ( 2.616 0.726 -5.072) 5.753 12.461 ( -0.263 0.445 0.701) 0.871 12.848 ( 2.244 -0.550 -5.317) 5.797 13.648 ( -0.717 -0.042 2.629) 2.725 13.891 ( 0.387 0.154 -0.897) 0.989 18.730 ( 0.985 0.056 -0.946) 1.367 18.756 ( 2.038 1.624 -1.138) 2.844 19.632 ( -0.707 -0.268 1.721) 1.880 19.928 ( -2.500 0.115 3.801) 4.551 21.730 ( 1.731 0.200 -1.628) 2.384 23.002 ( 4.182 -0.438 -12.993) 13.656 26.244 ( -0.558 -1.062 3.551) 3.748 26.625 ( 0.694 -1.925 1.862) 2.767 26.868 ( 2.052 5.598 0.364) 5.973 27.102 ( 1.493 -2.384 -2.068) 3.492 ======================= Grid point 99 (39/205) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -1.636 -0.320 15.035) 15.127 1.296 ( -3.443 3.217 0.762) 4.773 1.466 ( -8.132 2.611 15.468) 17.670 1.757 ( 0.816 0.924 0.844) 1.494 2.077 ( 3.190 2.163 5.397) 6.632 2.217 ( -12.884 10.107 4.796) 17.064 2.449 ( -0.149 -1.493 1.459) 2.093 2.705 ( 2.133 -3.223 10.013) 10.733 3.011 ( -1.273 1.668 5.805) 6.173 3.318 ( -5.771 -4.493 -1.439) 7.454 3.423 ( -0.639 -0.191 1.750) 1.873 3.974 ( -1.739 -1.174 -4.287) 4.773 4.226 ( 2.223 2.254 -0.988) 3.317 4.409 ( 0.762 -0.600 -2.051) 2.269 5.028 ( -0.920 -1.537 2.287) 2.905 5.150 ( -0.757 -1.980 -1.439) 2.562 5.944 ( -4.109 0.213 9.014) 9.909 6.219 ( 0.291 0.836 -0.915) 1.273 6.727 ( 2.195 0.639 -5.549) 6.002 6.890 ( 2.545 0.209 -3.844) 4.615 7.455 ( -2.596 -0.245 5.721) 6.288 7.730 ( 1.877 -1.357 -4.247) 4.837 7.818 ( 2.929 0.276 -10.178) 10.595 8.717 ( -5.438 -0.167 10.647) 11.957 8.865 ( -3.797 -0.848 9.410) 10.182 10.893 ( -0.464 -0.399 1.159) 1.311 11.647 ( 0.858 -0.628 0.608) 1.224 12.169 ( 2.944 1.162 -5.169) 6.060 12.456 ( -0.341 0.559 0.534) 0.845 12.857 ( 2.216 -0.543 -5.126) 5.611 13.652 ( -0.695 0.405 2.605) 2.726 13.891 ( 0.486 -0.005 -0.945) 1.063 18.737 ( 1.068 1.102 -1.335) 2.034 18.774 ( 3.220 3.109 -1.125) 4.615 19.636 ( -0.392 -0.343 1.878) 1.949 19.915 ( -1.758 0.018 3.769) 4.159 21.748 ( 1.702 0.275 -1.361) 2.197 22.991 ( 3.570 -1.127 -13.082) 13.607 26.263 ( -1.621 -2.465 4.476) 5.361 26.664 ( 1.028 -1.763 1.192) 2.363 26.876 ( 3.614 6.232 1.272) 7.316 27.125 ( 1.234 -0.960 -2.315) 2.793 ======================= Grid point 100 (40/205) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -10.557 6.272 12.996) 17.880 1.126 ( -12.984 12.840 5.959) 19.208 1.500 ( 2.918 -3.135 4.406) 6.144 1.721 ( -9.431 6.491 11.359) 16.128 1.961 ( -8.547 6.229 6.284) 12.302 2.139 ( 0.033 0.048 5.916) 5.916 2.462 ( 0.212 -0.190 0.183) 0.338 2.813 ( 1.457 -0.406 8.634) 8.765 3.000 ( -2.283 0.826 2.190) 3.269 3.262 ( -2.985 -4.148 -0.010) 5.111 3.446 ( 0.099 -2.326 2.120) 3.149 3.900 ( -3.239 1.905 -4.358) 5.754 4.246 ( 2.628 1.166 -3.008) 4.161 4.421 ( 1.375 -0.835 -1.517) 2.211 5.051 ( -0.327 -2.747 2.886) 3.998 5.153 ( -0.042 -3.244 -0.266) 3.255 5.929 ( -4.281 0.278 9.319) 10.259 6.214 ( 0.489 1.068 -0.690) 1.362 6.729 ( 2.683 -0.029 -5.826) 6.415 6.903 ( 2.144 0.210 -3.875) 4.433 7.452 ( -1.890 -0.503 4.510) 4.916 7.731 ( 1.467 -0.653 -6.783) 6.970 7.805 ( 1.861 -0.055 -6.383) 6.649 8.694 ( -5.163 0.066 10.362) 11.577 8.873 ( -3.430 -0.922 10.136) 10.740 10.900 ( -0.027 -0.566 1.280) 1.399 11.671 ( 0.866 -0.689 0.711) 1.315 12.177 ( 2.915 1.332 -5.088) 6.013 12.450 ( -0.302 0.517 0.463) 0.757 12.864 ( 2.092 -0.328 -5.175) 5.592 13.652 ( -0.760 0.803 2.652) 2.873 13.895 ( 0.592 -0.291 -1.019) 1.214 18.732 ( 1.480 2.863 -2.419) 4.030 18.810 ( 4.943 4.057 -0.908) 6.459 19.646 ( -0.107 -0.199 1.923) 1.936 19.923 ( -0.690 -0.445 5.742) 5.801 21.763 ( 1.344 0.286 -1.541) 2.065 22.968 ( 2.208 -1.684 -13.625) 13.905 26.279 ( -3.341 -4.642 5.128) 7.682 26.692 ( 0.199 -1.990 0.048) 2.000 26.926 ( 6.449 6.435 2.295) 9.395 27.121 ( 0.815 1.552 -3.680) 4.076 ======================= Grid point 101 (41/205) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -10.597 11.352 10.950) 19.002 0.766 ( -18.355 16.818 1.813) 24.961 1.405 ( -19.432 18.201 31.165) 40.989 1.708 ( 3.925 -6.262 1.755) 7.595 1.927 ( -0.655 -0.563 2.048) 2.222 2.157 ( -2.502 -2.049 3.504) 4.768 2.453 ( -0.032 0.238 -2.255) 2.268 2.840 ( -1.138 3.181 -0.061) 3.379 2.975 ( -3.411 -1.059 8.317) 9.052 3.288 ( 3.149 -0.728 0.985) 3.379 3.450 ( -4.268 -2.410 0.713) 4.953 3.819 ( -1.086 3.614 2.235) 4.386 4.250 ( 2.422 1.937 -5.615) 6.414 4.440 ( 1.673 0.085 -2.283) 2.831 5.081 ( 0.181 -1.846 1.199) 2.209 5.200 ( -0.153 -7.484 2.590) 7.921 5.924 ( -3.495 -0.215 10.562) 11.127 6.209 ( 0.764 1.877 -1.363) 2.442 6.748 ( 3.254 -1.718 -5.456) 6.581 6.909 ( 1.579 0.211 -4.013) 4.318 7.458 ( -1.042 -0.992 3.523) 3.805 7.712 ( 2.165 -0.219 -8.638) 8.907 7.790 ( -0.124 -0.100 -3.934) 3.937 8.678 ( -4.206 0.428 10.201) 11.043 8.894 ( -3.018 -1.523 11.582) 12.065 10.914 ( 0.063 -0.560 1.527) 1.628 11.691 ( 0.345 -0.592 0.659) 0.951 12.182 ( 2.455 1.258 -4.987) 5.699 12.446 ( -0.118 0.343 0.588) 0.691 12.866 ( 2.023 -0.063 -5.410) 5.776 13.649 ( -0.857 0.972 2.709) 3.003 13.901 ( 0.559 -0.489 -1.152) 1.370 18.716 ( 1.898 4.437 -3.795) 6.139 18.862 ( 5.937 4.908 -3.793) 8.586 19.656 ( -0.259 0.144 1.620) 1.646 20.000 ( 2.902 -3.901 11.394) 12.388 21.768 ( 0.814 0.241 -2.106) 2.271 22.910 ( 0.236 -0.824 -13.719) 13.746 26.274 ( -6.745 -7.176 5.331) 11.199 26.702 ( -0.321 -1.982 -0.702) 2.127 26.967 ( 1.591 6.418 -8.053) 10.420 27.132 ( 6.792 3.735 2.075) 8.024 ======================= Grid point 102 (42/205) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -6.607 1.471 14.931) 16.393 0.588 ( 2.701 10.814 18.469) 21.572 1.173 ( -17.725 19.156 38.884) 46.831 1.780 ( -1.450 -5.502 -1.006) 5.778 1.933 ( 0.052 -1.560 1.493) 2.160 2.086 ( -6.586 1.919 -3.318) 7.620 2.489 ( 5.415 1.179 -0.075) 5.543 2.756 ( 0.020 8.067 -1.947) 8.299 2.998 ( -5.847 -4.421 12.740) 14.699 3.328 ( -1.507 2.139 1.841) 3.199 3.384 ( -0.306 0.907 3.481) 3.611 3.916 ( 8.864 -4.182 5.285) 11.135 4.230 ( 2.612 3.678 -7.339) 8.614 4.434 ( 0.275 1.300 -3.324) 3.580 5.100 ( 0.149 -1.779 0.337) 1.817 5.235 ( -4.587 -6.752 0.594) 8.185 5.950 ( -3.644 -2.200 11.975) 12.709 6.188 ( 0.093 2.855 -2.242) 3.631 6.790 ( 3.168 -3.048 -5.530) 7.064 6.899 ( 0.772 0.561 -4.268) 4.373 7.476 ( -0.615 -1.228 3.576) 3.830 7.706 ( 3.290 -0.561 -8.581) 9.207 7.751 ( -0.569 1.016 -4.053) 4.217 8.675 ( -3.506 0.727 10.310) 10.914 8.934 ( -4.019 -2.988 11.988) 12.992 10.925 ( -0.397 -0.331 1.769) 1.843 11.698 ( -0.378 -0.402 0.575) 0.797 12.178 ( 1.806 0.968 -4.952) 5.359 12.449 ( 0.039 -0.039 0.659) 0.661 12.864 ( 1.866 0.200 -5.677) 5.979 13.643 ( -1.039 0.902 2.743) 3.069 13.905 ( 0.385 -0.438 -1.279) 1.406 18.679 ( 1.714 7.053 -4.862) 8.736 18.838 ( -1.323 4.806 -5.004) 7.063 19.656 ( -0.859 0.183 2.013) 2.196 20.181 ( -1.568 -11.344 9.015) 14.575 21.760 ( 0.262 0.178 -2.822) 2.839 22.870 ( 7.549 0.447 -11.511) 13.773 26.202 ( -9.994 -3.871 4.957) 11.809 26.704 ( -0.590 -0.595 -0.576) 1.017 26.805 ( -2.403 11.844 -8.434) 14.737 27.244 ( 3.386 -0.788 -1.917) 3.970 ======================= Grid point 105 (43/205) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -10.469 -0.000 -5.810) 11.974 1.286 ( -1.440 -0.000 15.526) 15.593 1.459 ( 7.596 0.000 1.442) 7.731 1.676 ( 5.341 0.000 7.192) 8.958 1.969 ( -1.067 -0.000 5.010) 5.122 2.141 ( 9.715 0.000 3.905) 10.470 2.541 ( -0.793 -0.000 3.945) 4.024 2.563 ( -10.188 -0.000 8.009) 12.959 3.058 ( -1.220 -0.000 9.373) 9.452 3.445 ( -3.472 -0.000 0.289) 3.484 3.477 ( -1.097 -0.000 1.428) 1.801 4.007 ( -2.185 -0.000 -2.809) 3.559 4.262 ( 0.572 0.000 0.095) 0.580 4.399 ( 1.519 0.000 -3.162) 3.508 5.106 ( -2.275 -0.000 0.901) 2.447 5.113 ( 0.155 0.000 -1.308) 1.317 5.957 ( -3.117 -0.000 8.804) 9.340 6.218 ( 1.302 0.000 -0.652) 1.456 6.762 ( 0.745 0.000 -4.763) 4.821 6.844 ( 2.510 0.000 -4.039) 4.756 7.476 ( -3.940 -0.000 7.637) 8.593 7.706 ( 1.968 0.000 -5.971) 6.287 7.825 ( 5.257 0.000 -11.688) 12.816 8.737 ( -3.976 -0.000 11.080) 11.772 8.885 ( -4.948 -0.000 9.736) 10.921 10.901 ( -1.283 -0.000 1.681) 2.114 11.627 ( -0.621 -0.000 0.011) 0.621 12.158 ( 2.266 0.000 -4.705) 5.222 12.464 ( -0.109 -0.000 0.945) 0.951 12.841 ( 2.095 0.000 -5.775) 6.144 13.640 ( -0.678 -0.000 2.652) 2.738 13.893 ( 0.259 0.000 -0.840) 0.879 18.721 ( 0.744 0.000 -1.198) 1.410 18.735 ( 2.165 0.000 -0.095) 2.167 19.633 ( -0.948 -0.000 1.636) 1.891 19.954 ( -3.531 -0.000 4.699) 5.878 21.717 ( 1.381 0.000 -2.162) 2.565 23.012 ( 4.365 0.000 -13.459) 14.149 26.221 ( 0.398 0.000 1.910) 1.951 26.578 ( -0.218 -0.000 2.314) 2.324 26.907 ( 1.566 0.000 2.647) 3.076 27.056 ( 1.234 0.000 -5.024) 5.173 ======================= Grid point 106 (44/205) ======================= q-point: (-0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -2.453 0.911 7.563) 8.003 1.327 ( -4.250 -0.532 13.523) 14.185 1.562 ( 2.694 2.732 2.555) 4.610 1.765 ( 1.447 1.161 3.160) 3.665 2.015 ( 3.470 0.467 4.205) 5.472 2.302 ( 5.365 -3.636 -0.142) 6.482 2.476 ( -5.062 3.025 8.979) 10.742 2.556 ( -1.891 -3.422 5.104) 6.429 3.067 ( -4.334 2.109 10.553) 11.602 3.362 ( -5.751 -0.625 -0.818) 5.842 3.457 ( -1.925 0.233 0.555) 2.017 3.968 ( -1.066 -1.260 -1.959) 2.561 4.268 ( 0.967 1.919 -0.377) 2.181 4.399 ( 0.557 -0.567 -2.991) 3.095 5.057 ( -2.257 2.267 0.937) 3.334 5.118 ( -0.705 -2.918 -1.088) 3.193 5.957 ( -3.506 0.132 8.673) 9.356 6.230 ( 0.763 0.253 -0.849) 1.169 6.745 ( 1.120 0.407 -4.783) 4.929 6.867 ( 2.795 -0.194 -3.556) 4.527 7.460 ( -3.717 -0.226 7.347) 8.237 7.706 ( 2.394 -0.102 -5.355) 5.867 7.830 ( 4.141 -0.091 -11.762) 12.470 8.733 ( -4.907 -0.107 10.971) 12.019 8.865 ( -4.388 -0.136 9.075) 10.081 10.892 ( -0.967 -0.104 1.246) 1.581 11.626 ( 0.245 -0.166 0.234) 0.377 12.169 ( 2.793 0.288 -4.907) 5.653 12.466 ( -0.253 0.187 0.878) 0.933 12.842 ( 2.277 -0.245 -5.508) 5.965 13.648 ( -0.395 -0.013 2.433) 2.465 13.892 ( 0.286 0.062 -0.788) 0.840 18.730 ( 1.160 -0.006 -0.973) 1.514 18.772 ( 2.837 0.594 -0.843) 3.018 19.629 ( -0.727 -0.104 1.606) 1.766 19.929 ( -2.578 0.042 3.838) 4.624 21.732 ( 1.714 0.078 -1.500) 2.279 22.998 ( 3.909 -0.150 -13.062) 13.635 26.235 ( -0.550 -0.206 2.921) 2.979 26.603 ( 0.889 -0.938 2.076) 2.445 26.933 ( 1.085 2.994 2.516) 4.059 27.069 ( 2.801 -1.777 -3.947) 5.156 ======================= Grid point 107 (45/205) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 4.280 2.522 16.408) 17.143 1.322 ( -3.000 0.459 4.937) 5.796 1.538 ( -6.241 6.592 11.484) 14.638 1.768 ( -0.218 0.399 -0.313) 0.552 2.100 ( 3.365 1.564 3.268) 4.945 2.314 ( -6.641 1.097 0.511) 6.750 2.440 ( -1.279 2.932 3.437) 4.695 2.633 ( 1.981 -6.417 8.917) 11.163 3.038 ( -4.592 1.932 10.395) 11.527 3.265 ( -6.289 -2.699 -0.790) 6.889 3.430 ( -0.661 0.803 -0.076) 1.042 3.958 ( -0.175 -1.069 -2.104) 2.366 4.263 ( 1.384 2.797 -1.470) 3.449 4.392 ( -0.006 -1.692 -2.776) 3.250 5.019 ( -2.141 0.239 2.275) 3.133 5.117 ( -0.651 -2.347 -1.322) 2.771 5.948 ( -3.927 0.282 8.929) 9.759 6.229 ( 0.264 0.517 -1.075) 1.222 6.735 ( 1.657 0.436 -4.862) 5.155 6.889 ( 2.164 -0.199 -3.293) 3.945 7.449 ( -3.236 -0.574 6.621) 7.392 7.719 ( 2.588 -0.241 -4.744) 5.409 7.818 ( 3.024 -0.178 -11.164) 11.568 8.715 ( -5.315 -0.098 10.697) 11.946 8.858 ( -3.428 -0.268 8.927) 9.566 10.887 ( -0.525 -0.276 0.998) 1.161 11.640 ( 0.845 -0.393 0.499) 1.057 12.183 ( 3.084 0.750 -5.114) 6.019 12.463 ( -0.378 0.406 0.709) 0.900 12.850 ( 2.330 -0.437 -5.271) 5.780 13.657 ( -0.254 0.268 2.293) 2.322 13.891 ( 0.247 -0.004 -0.808) 0.845 18.745 ( 1.220 0.259 -0.721) 1.441 18.813 ( 4.173 1.972 -1.723) 4.927 19.631 ( -0.419 -0.276 1.810) 1.878 19.916 ( -1.831 0.004 3.644) 4.078 21.751 ( 1.631 0.165 -1.168) 2.013 22.980 ( 3.303 -0.544 -12.912) 13.339 26.242 ( -1.515 -0.738 3.567) 3.945 26.639 ( 0.927 -1.458 1.233) 2.122 26.948 ( 2.035 3.700 2.432) 4.872 27.111 ( 3.342 -0.924 -3.174) 4.701 ======================= Grid point 108 (46/205) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -1.581 12.480 13.709) 18.606 1.298 ( -2.772 8.654 2.158) 9.340 1.454 ( -3.336 -0.645 8.540) 9.191 1.768 ( -1.297 -0.512 2.191) 2.597 2.067 ( -12.256 6.606 6.674) 15.440 2.156 ( -4.434 2.939 4.069) 6.698 2.443 ( 0.052 -1.265 0.801) 1.498 2.779 ( 2.930 -4.607 7.893) 9.597 3.013 ( -4.403 1.088 7.899) 9.108 3.205 ( -2.442 -3.431 0.382) 4.228 3.427 ( 0.049 -0.562 0.550) 0.787 3.934 ( -0.651 2.407 -2.293) 3.388 4.262 ( 1.890 1.447 -3.016) 3.842 4.396 ( 0.895 -2.599 -2.553) 3.751 5.015 ( -1.580 -2.024 4.125) 4.859 5.116 ( -0.272 -2.140 -1.509) 2.633 5.935 ( -4.169 0.483 9.286) 10.191 6.223 ( 0.276 0.293 -1.020) 1.097 6.732 ( 1.972 0.317 -5.055) 5.435 6.900 ( 1.333 -0.528 -3.193) 3.500 7.443 ( -2.692 -0.809 5.680) 6.337 7.727 ( 2.119 0.233 -5.827) 6.204 7.799 ( 2.150 -0.682 -8.967) 9.246 8.695 ( -4.850 0.114 10.341) 11.422 8.866 ( -2.714 -0.139 9.309) 9.698 10.892 ( -0.077 -0.506 1.083) 1.198 11.662 ( 0.901 -0.560 0.652) 1.245 12.196 ( 3.018 1.142 -5.154) 6.081 12.458 ( -0.371 0.517 0.554) 0.844 12.858 ( 2.218 -0.440 -5.230) 5.698 13.663 ( -0.331 0.720 2.307) 2.439 13.891 ( 0.266 -0.282 -0.880) 0.961 18.755 ( 1.003 0.896 -0.812) 1.571 18.864 ( 5.791 2.999 -2.821) 7.105 19.642 ( -0.125 -0.405 2.002) 2.046 19.917 ( -1.068 -0.329 4.750) 4.880 21.767 ( 1.200 0.194 -1.315) 1.790 22.951 ( 2.431 -0.671 -12.895) 13.139 26.239 ( -2.663 -1.381 3.899) 4.919 26.663 ( 0.008 -1.915 -0.008) 1.915 26.985 ( 3.030 2.417 2.516) 4.621 27.146 ( 3.831 1.744 -3.672) 5.586 ======================= Grid point 109 (47/205) ======================= q-point: (-0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -1.623 18.814 6.680) 20.031 1.033 ( -13.071 19.892 -1.891) 23.877 1.584 ( 4.920 -3.273 4.566) 7.468 1.676 ( -12.188 8.558 15.427) 21.443 1.907 ( -5.429 -0.573 4.547) 7.105 2.117 ( -4.444 -3.050 6.137) 8.168 2.447 ( 0.155 -0.251 -2.094) 2.114 2.859 ( -0.303 -0.720 3.407) 3.495 2.981 ( -4.172 1.412 9.191) 10.192 3.246 ( 2.432 -4.752 1.367) 5.510 3.430 ( -1.506 -0.355 1.587) 2.217 3.886 ( 0.030 5.521 0.417) 5.537 4.262 ( 1.685 0.184 -4.938) 5.221 4.425 ( 2.155 -2.389 -3.264) 4.583 5.043 ( -1.069 -3.263 4.743) 5.856 5.124 ( -0.173 -3.412 -0.645) 3.477 5.923 ( -3.970 0.203 9.920) 10.687 6.222 ( 0.524 0.168 -1.111) 1.240 6.733 ( 2.145 -0.374 -5.087) 5.534 6.903 ( 0.956 -0.852 -3.224) 3.469 7.443 ( -1.999 -1.103 4.879) 5.387 7.714 ( 2.194 0.523 -8.131) 8.438 7.785 ( 0.988 -0.660 -6.000) 6.117 8.685 ( -3.805 0.488 10.088) 10.793 8.884 ( -2.586 -0.131 10.135) 10.461 10.905 ( 0.094 -0.673 1.383) 1.541 11.682 ( 0.413 -0.615 0.646) 0.983 12.201 ( 2.533 1.383 -5.085) 5.847 12.452 ( -0.219 0.467 0.523) 0.734 12.863 ( 2.053 -0.330 -5.366) 5.755 13.664 ( -0.571 1.106 2.448) 2.746 13.893 ( 0.334 -0.594 -1.008) 1.217 18.754 ( 0.763 1.662 -1.413) 2.311 18.920 ( 5.895 2.914 -5.473) 8.556 19.654 ( -0.220 -0.301 1.746) 1.785 19.956 ( 0.126 -2.315 8.105) 8.430 21.771 ( 0.620 0.143 -1.871) 1.976 22.908 ( 2.015 0.306 -12.537) 12.701 26.219 ( -4.036 -1.516 4.057) 5.920 26.670 ( -0.390 -2.320 -1.025) 2.566 27.014 ( 0.262 1.461 -1.853) 2.374 27.183 ( 5.600 3.067 -2.353) 6.805 ======================= Grid point 110 (48/205) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -14.151 20.119 -4.905) 25.081 0.824 ( 7.245 20.444 7.583) 22.977 1.458 ( -12.516 17.967 27.965) 35.517 1.697 ( -3.157 -5.320 -0.571) 6.212 1.884 ( -0.612 -4.691 1.394) 4.932 2.107 ( -4.396 0.687 2.550) 5.128 2.475 ( 5.620 -2.112 -1.150) 6.113 2.839 ( -0.930 2.144 -1.945) 3.041 2.970 ( -5.755 1.062 14.417) 15.560 3.306 ( -2.186 -4.225 1.995) 5.159 3.417 ( 1.236 2.699 1.865) 3.506 3.902 ( 4.184 2.084 4.049) 6.184 4.253 ( 1.674 0.146 -6.214) 6.437 4.440 ( 0.772 -0.917 -4.659) 4.811 5.067 ( -1.075 -2.702 1.578) 3.308 5.151 ( -1.169 -4.839 2.285) 5.478 5.928 ( -3.898 -1.022 10.998) 11.713 6.216 ( 0.172 1.135 -1.783) 2.121 6.752 ( 2.878 -2.057 -4.920) 6.060 6.901 ( 0.689 -0.408 -3.580) 3.669 7.455 ( -1.300 -1.547 4.715) 5.129 7.702 ( 3.232 0.071 -8.796) 9.371 7.763 ( 0.720 0.593 -5.162) 5.246 8.687 ( -3.196 0.831 10.097) 10.623 8.907 ( -3.322 -0.882 11.199) 11.715 10.918 ( -0.275 -0.605 1.702) 1.828 11.691 ( -0.350 -0.581 0.550) 0.873 12.196 ( 1.822 1.428 -5.046) 5.552 12.451 ( -0.080 0.245 0.591) 0.645 12.864 ( 1.886 -0.175 -5.578) 5.891 13.659 ( -0.890 1.267 2.609) 3.034 13.897 ( 0.344 -0.660 -1.159) 1.377 18.740 ( 0.678 2.402 -2.356) 3.432 18.912 ( 0.432 4.230 -8.232) 9.266 19.657 ( -0.841 -0.004 1.728) 1.922 20.049 ( -1.467 -6.899 10.392) 12.559 21.762 ( 0.115 0.095 -2.617) 2.621 22.882 ( 5.796 1.093 -11.546) 12.965 26.178 ( -4.154 -0.066 3.857) 5.669 26.677 ( 0.207 -2.455 -1.342) 2.806 26.933 ( -3.045 5.975 -6.518) 9.351 27.237 ( 2.181 -0.099 -2.062) 3.003 ======================= Grid point 111 (49/205) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 9.420 -10.169 15.181) 20.557 0.908 ( 7.815 14.924 13.637) 21.674 1.353 ( -1.510 21.607 20.476) 29.807 1.629 ( -8.339 -8.334 -0.026) 11.790 1.933 ( -0.545 -0.713 2.081) 2.266 1.993 ( -4.199 2.940 -0.390) 5.141 2.568 ( 1.188 1.929 0.288) 2.284 2.827 ( 3.777 0.690 -2.092) 4.372 2.939 ( -8.400 -0.131 14.902) 17.107 3.324 ( 0.496 -3.019 5.468) 6.265 3.437 ( 1.000 1.976 1.342) 2.590 4.024 ( 5.737 -4.143 1.150) 7.169 4.235 ( 1.108 0.710 -5.947) 6.091 4.410 ( -0.733 -0.060 -4.161) 4.226 5.071 ( -1.208 -2.939 0.025) 3.178 5.170 ( -1.095 -1.628 2.572) 3.234 5.937 ( -4.428 -1.426 11.086) 12.022 6.195 ( 0.328 2.142 -1.435) 2.599 6.781 ( 1.996 -2.222 -4.968) 5.796 6.887 ( 0.726 0.462 -4.638) 4.717 7.477 ( -1.488 -1.671 5.445) 5.887 7.711 ( 3.558 -0.104 -7.222) 8.051 7.747 ( 3.046 0.902 -7.211) 7.880 8.693 ( -3.032 0.909 10.641) 11.102 8.920 ( -4.734 -1.008 11.850) 12.800 10.924 ( -0.827 -0.349 2.018) 2.209 11.686 ( -1.081 -0.479 0.368) 1.238 12.180 ( 1.308 1.170 -5.000) 5.299 12.452 ( -0.109 0.056 0.638) 0.650 12.859 ( 1.769 0.058 -5.706) 5.974 13.650 ( -1.135 1.181 2.775) 3.222 13.899 ( 0.257 -0.511 -1.212) 1.340 18.712 ( 0.753 3.935 -3.070) 5.047 18.804 ( -2.906 4.764 -2.996) 6.333 19.652 ( -1.160 0.011 2.185) 2.474 20.081 ( -7.050 -4.994 9.220) 12.635 21.743 ( 0.040 0.054 -3.178) 3.179 22.945 ( 9.386 -1.747 -13.458) 16.501 26.150 ( -0.631 1.217 2.516) 2.865 26.687 ( -0.542 -0.287 -0.624) 0.875 26.798 ( -1.493 5.979 -3.766) 7.222 27.214 ( -2.534 -0.042 -2.730) 3.725 ======================= Grid point 115 (50/205) ======================= q-point: (-0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 7.017 0.000 16.012) 17.483 1.322 ( -4.745 -0.000 8.390) 9.639 1.599 ( -3.184 -0.000 7.528) 8.173 1.768 ( -2.325 -0.000 0.602) 2.401 2.117 ( 5.042 0.000 1.358) 5.222 2.296 ( -3.699 -0.000 -0.921) 3.812 2.509 ( -4.065 -0.000 3.022) 5.065 2.550 ( 2.885 0.000 10.322) 10.717 3.054 ( -6.135 -0.000 12.018) 13.493 3.245 ( -6.244 -0.000 -0.375) 6.255 3.437 ( -0.780 -0.000 -0.885) 1.180 3.949 ( 0.531 0.000 -1.336) 1.438 4.289 ( 1.370 0.000 -1.271) 1.869 4.374 ( -0.644 -0.000 -3.457) 3.517 5.025 ( -3.171 -0.000 2.266) 3.897 5.097 ( 0.018 0.000 -1.254) 1.254 5.951 ( -3.855 -0.000 8.910) 9.708 6.233 ( 0.173 0.000 -1.131) 1.145 6.738 ( 1.472 0.000 -4.650) 4.878 6.887 ( 1.998 0.000 -3.000) 3.605 7.444 ( -3.459 -0.000 6.954) 7.767 7.718 ( 2.864 0.000 -4.904) 5.679 7.816 ( 3.029 0.000 -11.587) 11.977 8.715 ( -5.254 -0.000 10.716) 11.935 8.856 ( -3.281 -0.000 8.764) 9.358 10.885 ( -0.545 -0.000 0.936) 1.083 11.637 ( 0.842 0.000 0.457) 0.958 12.189 ( 3.139 0.000 -5.097) 5.986 12.467 ( -0.393 -0.000 0.785) 0.877 12.846 ( 2.374 0.000 -5.333) 5.837 13.659 ( -0.078 -0.000 2.166) 2.167 13.891 ( 0.147 0.000 -0.750) 0.764 18.747 ( 1.328 0.000 -0.669) 1.487 18.827 ( 4.369 0.000 -1.742) 4.704 19.629 ( -0.449 -0.000 1.780) 1.836 19.916 ( -1.858 -0.000 3.595) 4.047 21.753 ( 1.600 0.000 -1.094) 1.938 22.976 ( 3.261 0.000 -12.871) 13.277 26.238 ( -1.423 -0.000 3.250) 3.548 26.628 ( 0.923 0.000 1.367) 1.649 26.975 ( 0.638 0.000 3.194) 3.257 27.103 ( 4.821 0.000 -3.936) 6.224 ======================= Grid point 117 (51/205) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 8.073 8.545 14.096) 18.355 1.296 ( -0.811 -4.305 1.755) 4.719 1.543 ( -7.968 8.332 10.882) 15.854 1.724 ( -3.062 -4.462 -2.194) 5.840 2.132 ( -4.579 3.348 1.346) 5.830 2.186 ( -9.394 -0.441 2.239) 9.667 2.459 ( -0.853 3.070 3.547) 4.768 2.696 ( 4.079 -5.396 7.860) 10.370 3.027 ( -5.741 0.603 11.219) 12.617 3.173 ( -2.871 -1.076 1.193) 3.290 3.424 ( -0.050 -0.075 -0.475) 0.483 3.959 ( 1.561 0.958 -1.189) 2.183 4.293 ( 1.467 2.726 -3.043) 4.341 4.351 ( -0.152 -3.331 -3.492) 4.828 4.997 ( -2.625 -0.522 4.355) 5.111 5.093 ( 0.088 -0.930 -1.542) 1.803 5.941 ( -4.109 0.258 9.349) 10.215 6.224 ( -0.106 -0.011 -1.311) 1.315 6.736 ( 1.812 0.200 -4.637) 4.982 6.893 ( 0.722 -0.314 -2.620) 2.736 7.433 ( -3.083 -0.455 6.422) 7.138 7.735 ( 2.735 0.535 -4.916) 5.651 7.788 ( 2.111 -0.616 -10.892) 11.112 8.697 ( -4.647 0.062 10.336) 11.333 8.866 ( -2.319 0.034 8.924) 9.221 10.886 ( -0.109 -0.202 0.955) 0.982 11.657 ( 0.925 -0.214 0.610) 1.129 12.207 ( 3.089 0.447 -5.211) 6.074 12.463 ( -0.429 0.221 0.628) 0.792 12.853 ( 2.306 -0.205 -5.272) 5.758 13.671 ( -0.028 0.293 2.069) 2.090 13.888 ( 0.022 -0.122 -0.767) 0.777 18.763 ( 1.092 0.279 -0.411) 1.200 18.891 ( 5.444 0.936 -3.176) 6.372 19.637 ( -0.214 -0.204 2.112) 2.133 19.914 ( -1.234 -0.117 4.198) 4.377 21.768 ( 1.102 0.067 -1.182) 1.617 22.946 ( 2.783 -0.139 -12.652) 12.955 26.229 ( -2.110 -0.209 3.277) 3.903 26.643 ( -0.093 -0.788 0.112) 0.802 27.005 ( 1.116 0.585 2.583) 2.874 27.165 ( 5.265 0.705 -3.666) 6.454 ======================= Grid point 118 (52/205) ======================= q-point: (-0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 1.132 18.131 3.503) 18.501 1.306 ( -7.524 17.037 -2.235) 18.758 1.470 ( 4.395 -9.685 2.989) 11.048 1.698 ( -5.062 -6.407 1.259) 8.262 1.973 ( -10.629 7.472 10.269) 16.561 2.079 ( -7.103 -2.128 8.162) 11.027 2.465 ( 1.064 3.004 0.960) 3.328 2.821 ( 0.847 -4.468 3.867) 5.969 2.997 ( -4.881 0.700 10.808) 11.879 3.182 ( 0.405 -3.495 2.208) 4.154 3.431 ( 0.204 0.280 1.980) 2.010 3.961 ( 1.596 4.421 -0.482) 4.725 4.268 ( 0.744 1.162 -4.603) 4.805 4.376 ( 1.974 -4.227 -3.746) 5.982 5.003 ( -1.948 -2.030 6.389) 6.981 5.091 ( 0.094 -1.435 -2.084) 2.532 5.928 ( -4.228 0.368 9.647) 10.539 6.219 ( 0.257 -0.466 -1.187) 1.301 6.735 ( 1.809 0.426 -4.748) 5.099 6.889 ( 0.315 -1.036 -2.474) 2.701 7.429 ( -2.603 -0.843 5.937) 6.537 7.728 ( 2.371 1.363 -8.462) 8.893 7.771 ( 1.801 -1.263 -6.898) 7.241 8.691 ( -3.575 0.322 10.071) 10.691 8.885 ( -2.268 0.195 9.413) 9.685 10.896 ( 0.105 -0.450 1.257) 1.339 11.675 ( 0.458 -0.386 0.618) 0.861 12.218 ( 2.622 0.893 -5.193) 5.885 12.458 ( -0.320 0.332 0.509) 0.687 12.859 ( 2.106 -0.285 -5.352) 5.758 13.678 ( -0.279 0.771 2.189) 2.337 13.886 ( 0.097 -0.442 -0.845) 0.959 18.771 ( 0.595 0.814 -0.515) 1.132 18.946 ( 4.755 1.015 -5.228) 7.139 19.649 ( -0.305 -0.353 2.221) 2.269 19.933 ( -0.712 -1.001 6.007) 6.131 21.772 ( 0.487 0.068 -1.714) 1.783 22.914 ( 3.049 0.434 -12.254) 12.635 26.212 ( -2.518 0.046 3.177) 4.054 26.641 ( -0.503 -1.565 -1.140) 2.001 27.026 ( -0.021 0.435 0.658) 0.790 27.215 ( 4.452 1.454 -3.705) 5.972 ======================= Grid point 119 (53/205) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -12.208 20.739 -9.110) 25.732 1.125 ( 6.465 20.733 2.412) 21.851 1.513 ( -7.724 -8.947 -1.198) 11.881 1.726 ( 0.268 2.620 11.745) 12.037 1.845 ( -4.909 3.707 6.949) 9.281 2.098 ( -1.731 -1.833 9.120) 9.462 2.463 ( 1.986 1.387 -0.232) 2.433 2.830 ( -2.695 -2.653 -0.164) 3.786 2.998 ( -4.025 1.702 13.113) 13.822 3.233 ( -1.003 -5.268 2.857) 6.076 3.448 ( 0.998 1.724 2.933) 3.546 3.958 ( 2.270 4.926 1.459) 5.617 4.250 ( 1.237 -0.176 -5.427) 5.569 4.407 ( 0.930 -3.576 -4.518) 5.836 5.029 ( -1.718 -2.406 5.274) 6.046 5.098 ( 0.285 -2.748 -0.668) 2.842 5.919 ( -4.048 -0.197 9.965) 10.758 6.222 ( 0.569 -0.149 -1.174) 1.313 6.735 ( 2.150 -0.321 -4.766) 5.238 6.888 ( 0.577 -1.233 -2.832) 3.142 7.434 ( -1.995 -1.304 5.742) 6.217 7.707 ( 3.424 0.631 -10.014) 10.602 7.767 ( 1.503 -0.006 -5.128) 5.344 8.697 ( -3.021 0.638 10.127) 10.587 8.903 ( -3.040 0.053 10.209) 10.652 10.909 ( -0.132 -0.561 1.645) 1.744 11.683 ( -0.308 -0.490 0.531) 0.786 12.215 ( 1.870 1.252 -5.170) 5.639 12.455 ( -0.183 0.283 0.474) 0.581 12.860 ( 1.909 -0.287 -5.473) 5.803 13.677 ( -0.708 1.184 2.438) 2.801 13.887 ( 0.280 -0.670 -0.997) 1.233 18.765 ( 0.175 1.323 -1.019) 1.679 18.951 ( 1.001 1.529 -7.205) 7.433 19.656 ( -0.829 -0.181 2.099) 2.264 19.979 ( -1.251 -3.202 8.138) 8.835 21.763 ( 0.028 0.049 -2.458) 2.459 22.898 ( 5.152 1.040 -11.708) 12.833 26.187 ( -2.180 0.939 2.985) 3.814 26.642 ( 0.289 -2.255 -1.865) 2.941 26.989 ( -2.655 2.411 -2.590) 4.424 27.240 ( 1.584 0.383 -3.318) 3.697 ======================= Grid point 120 (54/205) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -2.897 12.994 1.046) 13.354 1.146 ( 6.009 17.647 9.616) 20.976 1.450 ( -4.898 -8.794 -3.764) 10.747 1.700 ( -1.648 17.244 15.475) 23.228 1.888 ( 1.338 -4.330 4.061) 6.085 2.056 ( -3.895 4.924 -0.230) 6.282 2.544 ( 3.146 -3.829 1.822) 5.280 2.805 ( -1.922 -3.256 -0.885) 3.883 2.976 ( -6.265 3.840 14.215) 16.002 3.271 ( 0.121 -4.279 4.568) 6.260 3.466 ( 0.171 2.062 2.222) 3.036 4.000 ( 3.830 0.479 1.639) 4.194 4.238 ( 0.950 0.025 -5.186) 5.272 4.395 ( -0.880 -2.048 -4.428) 4.958 5.038 ( -1.184 -1.676 1.272) 2.414 5.134 ( 0.416 -3.212 2.372) 4.015 5.921 ( -3.756 -0.793 10.055) 10.763 6.220 ( 0.493 1.247 -1.190) 1.793 6.751 ( 2.264 -1.706 -4.900) 5.661 6.886 ( 0.773 -0.576 -3.865) 3.983 7.452 ( -1.764 -1.759 5.964) 6.463 7.712 ( 4.694 0.226 -9.412) 10.520 7.758 ( 2.001 0.649 -5.700) 6.075 8.706 ( -3.043 0.894 10.565) 11.031 8.911 ( -4.076 -0.235 11.103) 11.830 10.918 ( -0.630 -0.421 1.991) 2.131 11.678 ( -1.004 -0.500 0.411) 1.194 12.199 ( 1.208 1.338 -5.192) 5.496 12.454 ( -0.130 0.149 0.503) 0.540 12.858 ( 1.798 -0.173 -5.562) 5.848 13.669 ( -1.116 1.367 2.687) 3.215 13.891 ( 0.334 -0.627 -1.139) 1.342 18.747 ( 0.060 1.664 -1.640) 2.337 18.871 ( -2.534 3.803 -5.695) 7.302 19.652 ( -1.177 0.014 2.253) 2.542 20.017 ( -3.826 -3.734 8.352) 9.916 21.744 ( -0.046 0.039 -3.084) 3.085 22.930 ( 7.649 -0.392 -12.162) 14.373 26.171 ( -0.548 1.548 2.476) 2.971 26.661 ( 1.072 -2.522 -1.606) 3.177 26.882 ( -3.898 4.856 -3.653) 7.219 27.216 ( -1.657 0.286 -2.840) 3.301 ======================= Grid point 121 (55/205) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 8.017 -10.710 11.023) 17.335 1.178 ( 0.795 11.326 14.026) 18.045 1.422 ( -2.543 -5.613 -0.504) 6.182 1.638 ( 2.382 18.519 1.264) 18.715 1.933 ( -1.986 -1.921 7.399) 7.898 2.014 ( 3.194 6.805 3.684) 8.371 2.562 ( -3.221 -0.320 2.694) 4.211 2.780 ( -6.041 -3.986 1.970) 7.501 2.959 ( -1.482 2.080 9.317) 9.661 3.369 ( 3.521 -4.138 5.193) 7.516 3.453 ( -1.531 1.331 2.542) 3.252 4.076 ( 3.234 -2.389 -1.400) 4.257 4.209 ( -1.061 0.191 -2.663) 2.873 4.375 ( 0.650 -1.299 -3.936) 4.196 5.039 ( -0.552 -1.806 0.301) 1.913 5.173 ( 0.474 -1.327 1.896) 2.363 5.931 ( -3.233 -0.764 9.686) 10.240 6.211 ( 0.698 1.752 -0.987) 2.129 6.763 ( 1.270 -1.708 -4.778) 5.230 6.872 ( 0.946 0.293 -5.124) 5.218 7.471 ( -2.172 -1.721 6.455) 7.025 7.723 ( 2.071 0.722 -5.234) 5.675 7.768 ( 5.617 -0.068 -10.074) 11.535 8.718 ( -3.004 0.787 11.039) 11.467 8.910 ( -4.641 -0.265 11.323) 12.240 10.919 ( -1.058 -0.180 2.146) 2.399 11.663 ( -1.348 -0.341 0.255) 1.414 12.175 ( 1.020 0.989 -5.144) 5.337 12.455 ( -0.108 0.014 0.585) 0.595 12.853 ( 1.819 0.049 -5.624) 5.911 13.656 ( -1.300 1.228 2.857) 3.371 13.892 ( 0.261 -0.444 -1.149) 1.259 18.725 ( 0.293 1.915 -1.879) 2.699 18.779 ( -1.782 3.374 -2.017) 4.316 19.646 ( -1.208 0.050 2.251) 2.555 20.010 ( -4.967 -1.961 7.246) 9.001 21.725 ( 0.255 -0.013 -3.268) 3.278 22.984 ( 7.007 -1.432 -13.308) 15.108 26.179 ( 0.882 1.110 1.817) 2.305 26.673 ( -0.986 0.585 -0.028) 1.147 26.788 ( -0.633 1.402 -2.472) 2.912 27.160 ( -1.900 1.096 -2.715) 3.490 ======================= Grid point 126 (56/205) ======================= q-point: (-0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.286 -0.000 -0.069) 0.294 1.293 ( 6.554 0.000 3.222) 7.303 1.525 ( -7.750 -0.000 10.189) 12.801 1.575 ( -3.623 -0.000 -10.186) 10.811 2.038 ( -9.553 -0.000 6.069) 11.318 2.058 ( -7.716 -0.000 9.325) 12.104 2.502 ( 0.951 0.000 3.557) 3.682 2.772 ( 1.791 0.000 3.732) 4.139 3.002 ( -5.535 -0.000 11.964) 13.182 3.157 ( -0.462 -0.000 2.284) 2.330 3.434 ( 0.683 0.000 2.227) 2.330 3.995 ( 2.536 0.000 -0.808) 2.662 4.291 ( -0.666 -0.000 -4.548) 4.596 4.328 ( 2.616 0.000 -3.869) 4.670 4.988 ( -2.261 -0.000 6.716) 7.087 5.081 ( 0.172 0.000 -2.291) 2.298 5.931 ( -4.322 -0.000 9.615) 10.542 6.215 ( 0.144 0.000 -1.287) 1.295 6.739 ( 1.885 0.000 -4.682) 5.047 6.880 ( -0.060 -0.000 -2.135) 2.136 7.422 ( -2.774 -0.000 6.333) 6.914 7.747 ( 1.984 0.000 -11.338) 11.510 7.753 ( 2.532 0.000 -4.464) 5.132 8.694 ( -3.503 -0.000 10.077) 10.669 8.887 ( -2.170 -0.000 9.209) 9.461 10.893 ( 0.107 0.000 1.207) 1.212 11.672 ( 0.475 0.000 0.606) 0.769 12.225 ( 2.662 0.000 -5.239) 5.877 12.461 ( -0.367 -0.000 0.512) 0.630 12.856 ( 2.135 0.000 -5.353) 5.763 13.684 ( -0.149 -0.000 2.076) 2.082 13.882 ( -0.012 -0.000 -0.771) 0.771 18.777 ( 0.594 0.000 -0.264) 0.650 18.953 ( 4.309 0.000 -5.086) 6.666 19.646 ( -0.348 -0.000 2.444) 2.468 19.926 ( -0.888 -0.000 5.321) 5.395 21.773 ( 0.442 0.000 -1.660) 1.718 22.917 ( 3.371 0.000 -12.209) 12.665 26.213 ( -2.060 -0.000 2.906) 3.562 26.629 ( -0.561 -0.000 -1.153) 1.282 27.029 ( -0.087 -0.000 1.287) 1.290 27.226 ( 4.103 0.000 -3.989) 5.723 ======================= Grid point 128 (57/205) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -10.456 17.299 -10.242) 22.660 1.302 ( -1.900 -8.539 -5.590) 10.382 1.432 ( -1.726 10.658 5.689) 12.204 1.645 ( 4.247 -9.887 0.600) 10.777 1.943 ( -4.955 4.702 9.000) 11.299 2.070 ( -0.314 -1.367 12.289) 12.369 2.513 ( -0.482 4.120 3.716) 5.569 2.775 ( -3.281 -3.937 -1.335) 5.296 3.012 ( -3.736 0.467 14.638) 15.115 3.176 ( -0.446 -2.260 3.078) 3.844 3.466 ( 0.810 0.637 3.847) 3.983 4.018 ( 1.714 2.711 -0.367) 3.229 4.257 ( 0.985 1.060 -4.885) 5.095 4.351 ( 1.198 -3.366 -4.203) 5.516 5.005 ( -1.754 -0.894 7.756) 8.002 5.071 ( 0.416 -0.949 -2.875) 3.056 5.919 ( -4.179 0.056 9.505) 10.383 6.217 ( 0.895 -0.293 -0.963) 1.347 6.738 ( 1.723 0.319 -4.834) 5.142 6.872 ( 0.453 -0.804 -2.259) 2.440 7.421 ( -2.365 -0.507 6.389) 6.832 7.716 ( 3.419 0.443 -11.337) 11.850 7.765 ( 1.969 -0.186 -4.484) 4.901 8.704 ( -2.945 0.240 10.182) 10.602 8.904 ( -2.945 0.109 9.768) 10.203 10.904 ( -0.038 -0.226 1.607) 1.624 11.678 ( -0.279 -0.189 0.521) 0.621 12.228 ( 1.915 0.496 -5.258) 5.618 12.458 ( -0.256 0.119 0.412) 0.499 12.857 ( 1.927 -0.134 -5.435) 5.768 13.690 ( -0.577 0.503 2.302) 2.426 13.880 ( 0.224 -0.302 -0.872) 0.950 18.778 ( 0.011 0.494 -0.483) 0.691 18.962 ( 1.116 0.299 -6.454) 6.557 19.653 ( -0.816 -0.104 2.553) 2.682 19.951 ( -1.129 -0.929 6.636) 6.795 21.763 ( -0.015 0.017 -2.377) 2.377 22.909 ( 4.953 0.417 -11.810) 12.813 26.198 ( -1.526 0.496 2.664) 3.110 26.618 ( 0.270 -0.922 -2.110) 2.318 27.009 ( -2.489 0.644 -0.526) 2.624 27.245 ( 1.402 0.217 -4.171) 4.405 ======================= Grid point 129 (58/205) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -8.809 17.721 -6.819) 20.931 1.286 ( -7.290 -10.991 -1.483) 13.272 1.401 ( 5.896 15.469 5.554) 17.461 1.776 ( 1.900 -7.561 4.173) 8.843 1.930 ( 3.160 9.568 6.884) 12.203 2.119 ( -1.233 3.152 2.589) 4.261 2.513 ( 0.374 1.018 4.868) 4.987 2.739 ( -4.084 -5.966 -0.378) 7.240 3.020 ( -5.492 2.122 13.945) 15.136 3.213 ( 0.256 -3.351 4.584) 5.684 3.491 ( -0.051 1.289 3.278) 3.522 4.022 ( 1.317 1.928 0.313) 2.356 4.245 ( 1.799 1.197 -4.695) 5.168 4.354 ( -0.537 -3.513 -4.085) 5.414 5.025 ( -0.998 -0.083 3.818) 3.947 5.087 ( 0.964 -3.054 0.413) 3.229 5.915 ( -3.487 -0.209 9.333) 9.966 6.230 ( 1.030 0.304 -0.788) 1.332 6.736 ( 1.856 -0.469 -4.974) 5.330 6.874 ( 0.894 -0.904 -3.179) 3.424 7.431 ( -2.054 -1.084 6.517) 6.919 7.716 ( 5.321 0.273 -11.172) 12.377 7.765 ( 1.492 0.254 -4.493) 4.741 8.717 ( -3.041 0.539 10.607) 11.048 8.910 ( -3.841 0.088 10.520) 11.200 10.913 ( -0.446 -0.284 1.971) 2.041 11.672 ( -0.936 -0.311 0.445) 1.081 12.215 ( 1.135 0.889 -5.362) 5.552 12.456 ( -0.179 0.113 0.360) 0.417 12.855 ( 1.829 -0.189 -5.429) 5.732 13.686 ( -1.103 0.955 2.614) 2.993 13.882 ( 0.421 -0.476 -1.056) 1.233 18.765 ( -0.295 0.925 -0.923) 1.339 18.907 ( -1.951 1.421 -6.061) 6.524 19.653 ( -1.175 0.017 2.535) 2.794 19.978 ( -2.324 -1.843 7.207) 7.794 21.744 ( -0.096 0.021 -3.012) 3.014 22.929 ( 6.576 0.131 -11.849) 13.552 26.191 ( -0.566 1.131 2.552) 2.848 26.628 ( 1.310 -1.835 -2.288) 3.212 26.931 ( -4.341 2.163 -2.227) 5.337 27.221 ( -0.969 0.350 -3.418) 3.570 ======================= Grid point 130 (59/205) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 2.965 6.036 7.974) 10.431 1.224 ( -6.712 -6.069 2.782) 9.466 1.452 ( 5.807 10.708 7.071) 14.085 1.855 ( -0.333 2.352 1.358) 2.736 1.901 ( -1.797 7.006 2.380) 7.614 2.122 ( 6.850 7.027 4.135) 10.649 2.529 ( -3.816 -3.037 3.877) 6.231 2.713 ( -4.844 -5.585 0.839) 7.440 2.991 ( -4.716 2.158 11.081) 12.235 3.307 ( 3.444 -4.254 5.884) 8.036 3.480 ( -1.909 2.083 2.912) 4.057 4.047 ( 1.662 -1.524 -0.381) 2.287 4.224 ( -0.309 1.833 -3.133) 3.643 4.348 ( 0.967 -2.437 -4.245) 4.990 5.028 ( -0.213 0.223 1.137) 1.178 5.138 ( 1.106 -3.276 1.878) 3.935 5.923 ( -2.791 -0.339 9.155) 9.577 6.233 ( 0.618 1.294 -0.792) 1.638 6.741 ( 1.616 -1.306 -5.117) 5.523 6.870 ( 0.957 -0.483 -4.496) 4.622 7.448 ( -2.051 -1.467 6.649) 7.112 7.735 ( 3.260 0.891 -6.783) 7.578 7.766 ( 4.343 -0.250 -8.490) 9.539 8.728 ( -3.194 0.668 11.065) 11.536 8.909 ( -4.369 0.038 10.975) 11.813 10.917 ( -0.877 -0.177 2.139) 2.319 11.659 ( -1.206 -0.281 0.391) 1.298 12.189 ( 0.749 0.900 -5.465) 5.589 12.455 ( -0.150 0.017 0.375) 0.404 12.853 ( 1.869 -0.082 -5.371) 5.687 13.674 ( -1.478 1.138 2.868) 3.422 13.886 ( 0.411 -0.431 -1.180) 1.322 18.746 ( -0.241 1.142 -1.317) 1.760 18.821 ( -2.395 2.247 -3.792) 5.016 19.647 ( -1.209 0.120 2.434) 2.720 19.985 ( -3.505 -1.536 6.657) 7.678 21.725 ( 0.206 -0.008 -3.267) 3.273 22.969 ( 6.736 -0.663 -12.442) 14.164 26.197 ( 0.365 1.289 2.525) 2.859 26.654 ( 1.017 -2.294 -1.078) 2.731 26.824 ( -3.573 2.776 -3.027) 5.444 27.175 ( -1.410 0.970 -2.358) 2.914 ======================= Grid point 131 (60/205) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 0.772 -2.781 10.217) 10.617 1.216 ( -0.700 -3.461 5.781) 6.775 1.505 ( 1.845 8.073 9.228) 12.399 1.723 ( -1.244 10.645 -4.043) 11.454 1.925 ( -2.054 -2.696 5.988) 6.881 2.231 ( 8.255 10.133 6.140) 14.441 2.500 ( -4.719 -4.364 4.027) 7.585 2.658 ( -5.942 -2.793 1.979) 6.858 2.980 ( -3.466 -0.786 8.237) 8.971 3.409 ( -0.781 -1.883 4.041) 4.526 3.469 ( 1.534 -0.061 3.250) 3.595 4.078 ( 0.741 -1.965 -2.043) 2.930 4.182 ( -1.048 0.696 -1.513) 1.968 4.368 ( 2.418 -1.495 -3.724) 4.685 5.031 ( -0.095 -0.034 0.881) 0.886 5.181 ( 0.672 -1.712 0.697) 1.967 5.938 ( -2.582 -0.296 9.001) 9.369 6.226 ( 0.396 1.300 -0.863) 1.610 6.741 ( 1.171 -1.309 -5.154) 5.445 6.859 ( 1.342 -0.080 -5.193) 5.364 7.464 ( -2.397 -1.333 6.775) 7.309 7.727 ( 1.273 1.247 -3.840) 4.233 7.800 ( 6.190 -0.424 -11.306) 12.896 8.739 ( -3.449 0.542 11.222) 11.752 8.902 ( -4.577 0.130 10.742) 11.677 10.913 ( -1.182 -0.010 2.046) 2.363 11.643 ( -1.017 -0.054 0.327) 1.069 12.164 ( 1.024 0.427 -5.405) 5.518 12.455 ( -0.150 -0.147 0.468) 0.512 12.851 ( 1.988 0.177 -5.341) 5.702 13.659 ( -1.527 0.966 2.978) 3.483 13.887 ( 0.365 -0.326 -1.154) 1.253 18.728 ( 0.107 0.968 -1.413) 1.716 18.761 ( -1.122 1.339 -1.786) 2.498 19.642 ( -1.091 0.182 2.173) 2.438 19.970 ( -3.672 -0.798 5.590) 6.736 21.713 ( 0.768 -0.075 -3.002) 3.099 22.999 ( 5.804 -0.673 -12.920) 14.179 26.214 ( 0.636 1.203 2.740) 3.059 26.659 ( -1.888 0.458 1.519) 2.466 26.768 ( 0.785 -1.275 -3.634) 3.931 27.137 ( -0.452 1.695 -1.752) 2.479 ======================= Grid point 137 (61/205) ======================= q-point: ( 0.56 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -11.541 -0.000 -9.613) 15.020 1.165 ( -4.329 -0.000 -1.477) 4.574 1.582 ( 1.831 0.000 12.408) 12.543 1.655 ( 4.184 0.000 -2.675) 4.966 2.002 ( 5.223 0.000 4.085) 6.630 2.137 ( 0.388 0.000 3.344) 3.367 2.552 ( -1.308 -0.000 7.898) 8.006 2.669 ( -5.485 -0.000 -1.693) 5.740 3.035 ( -5.223 -0.000 14.271) 15.197 3.188 ( 0.346 0.000 4.672) 4.685 3.500 ( -0.075 -0.000 3.732) 3.733 4.038 ( 0.061 0.000 -0.518) 0.521 4.264 ( 2.853 0.000 -4.642) 5.449 4.317 ( -0.759 -0.000 -3.627) 3.706 5.029 ( -1.050 -0.000 7.887) 7.957 5.059 ( 1.224 0.000 -3.504) 3.712 5.913 ( -3.432 -0.000 9.098) 9.724 6.232 ( 1.317 0.000 -0.621) 1.456 6.734 ( 1.529 0.000 -5.062) 5.288 6.866 ( 1.021 0.000 -2.895) 3.070 7.423 ( -2.182 -0.000 6.763) 7.106 7.718 ( 5.535 0.000 -11.948) 13.168 7.766 ( 1.326 0.000 -3.932) 4.150 8.721 ( -3.039 -0.000 10.637) 11.063 8.911 ( -3.784 -0.000 10.320) 10.992 10.911 ( -0.373 -0.000 1.963) 1.998 11.670 ( -0.909 -0.000 0.459) 1.018 12.222 ( 1.110 0.000 -5.430) 5.542 12.457 ( -0.202 -0.000 0.302) 0.364 12.853 ( 1.839 0.000 -5.380) 5.685 13.693 ( -1.104 -0.000 2.584) 2.810 13.879 ( 0.462 0.000 -1.021) 1.121 18.772 ( -0.411 -0.000 -0.683) 0.797 18.916 ( -1.720 -0.000 -6.063) 6.303 19.653 ( -1.169 -0.000 2.697) 2.940 19.965 ( -1.906 -0.000 6.730) 6.995 21.744 ( -0.113 -0.000 -2.986) 2.988 22.931 ( 6.237 0.000 -11.803) 13.350 26.199 ( -0.583 -0.000 2.607) 2.672 26.614 ( 1.334 0.000 -2.528) 2.859 26.946 ( -4.423 -0.000 -1.587) 4.699 27.223 ( -0.714 -0.000 -3.705) 3.773 ======================= Grid point 139 (62/205) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -1.887 8.059 5.384) 9.874 1.114 ( -4.306 -6.590 -0.808) 7.913 1.621 ( 3.699 11.541 7.791) 14.407 1.769 ( 1.416 -8.644 5.058) 10.115 2.058 ( -3.099 8.694 -2.629) 9.597 2.172 ( 8.825 -0.837 1.146) 8.939 2.527 ( -4.619 3.969 4.750) 7.723 2.619 ( -4.501 -7.416 2.427) 9.008 3.014 ( -6.534 0.884 11.970) 13.666 3.261 ( 3.427 -1.845 6.394) 7.485 3.503 ( -1.738 0.966 3.015) 3.612 4.033 ( -0.106 -0.476 -0.149) 0.510 4.258 ( -0.218 2.672 -3.453) 4.371 4.308 ( 2.145 -2.921 -4.294) 5.619 5.046 ( 0.384 2.235 1.933) 2.980 5.088 ( 1.153 -3.498 1.429) 3.951 5.920 ( -2.584 -0.055 8.878) 9.246 6.246 ( 0.785 0.441 -0.532) 1.046 6.729 ( 1.623 -0.436 -5.385) 5.641 6.863 ( 0.993 -0.335 -4.039) 4.173 7.433 ( -2.067 -0.568 6.921) 7.245 7.746 ( 5.833 0.517 -10.587) 12.099 7.762 ( 1.823 -0.264 -4.772) 5.115 8.735 ( -3.305 0.259 11.096) 11.581 8.910 ( -4.241 0.067 10.744) 11.551 10.915 ( -0.767 -0.074 2.132) 2.266 11.656 ( -1.120 -0.107 0.477) 1.222 12.199 ( 0.575 0.366 -5.673) 5.714 12.455 ( -0.182 0.006 0.226) 0.290 12.851 ( 1.908 -0.059 -5.195) 5.535 13.686 ( -1.608 0.473 2.892) 3.343 13.881 ( 0.531 -0.190 -1.206) 1.331 18.758 ( -0.488 0.447 -0.924) 1.137 18.841 ( -2.581 0.650 -4.585) 5.301 19.649 ( -1.213 0.068 2.593) 2.863 19.969 ( -2.734 -0.568 6.254) 6.849 21.725 ( 0.176 -0.002 -3.262) 3.266 22.963 ( 6.466 -0.155 -12.107) 13.727 26.211 ( 0.148 0.597 2.947) 3.011 26.627 ( 1.224 -1.117 -1.812) 2.455 26.853 ( -4.192 1.034 -2.846) 5.171 27.186 ( -1.129 0.398 -2.329) 2.618 ======================= Grid point 140 (63/205) ======================= q-point: (-0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 3.217 8.194 12.955) 15.662 1.123 ( -0.551 -8.438 3.377) 9.105 1.646 ( 1.018 10.232 7.397) 12.666 1.833 ( -2.522 0.872 2.114) 3.405 1.907 ( -3.020 3.674 -0.279) 4.764 2.329 ( 6.800 0.629 2.178) 7.168 2.451 ( -5.361 0.996 5.727) 7.908 2.604 ( -4.097 -4.676 2.382) 6.658 2.971 ( -5.819 -0.416 8.837) 10.589 3.379 ( 3.006 -1.897 5.244) 6.335 3.479 ( -1.531 1.027 3.003) 3.524 4.047 ( 0.857 -1.817 -0.062) 2.010 4.204 ( -1.493 1.729 -3.268) 3.987 4.345 ( 3.189 -1.520 -4.119) 5.426 5.047 ( 0.520 2.185 1.108) 2.504 5.142 ( 1.081 -3.525 0.909) 3.797 5.936 ( -2.370 -0.027 8.865) 9.177 6.243 ( -0.003 0.946 -0.683) 1.167 6.725 ( 1.627 -0.827 -5.792) 6.073 6.854 ( 1.121 -0.441 -4.799) 4.948 7.447 ( -2.110 -0.891 6.833) 7.207 7.746 ( 1.292 1.262 -3.234) 3.704 7.792 ( 6.255 -0.633 -11.433) 13.047 8.746 ( -3.629 0.345 11.262) 11.838 8.905 ( -4.351 0.208 10.742) 11.592 10.913 ( -1.088 -0.034 2.051) 2.321 11.642 ( -0.870 -0.034 0.521) 1.015 12.169 ( 0.677 0.300 -5.781) 5.828 12.454 ( -0.192 -0.100 0.236) 0.320 12.852 ( 2.043 0.055 -5.030) 5.429 13.671 ( -1.842 0.670 3.090) 3.660 13.883 ( 0.491 -0.232 -1.276) 1.387 18.740 ( -0.283 0.715 -1.139) 1.375 18.774 ( -1.953 0.512 -2.875) 3.514 19.644 ( -1.092 0.168 2.333) 2.582 19.961 ( -3.101 -0.522 5.360) 6.214 21.712 ( 0.739 -0.046 -3.067) 3.155 22.992 ( 5.971 -0.312 -12.483) 13.841 26.232 ( 0.553 1.162 3.561) 3.787 26.639 ( -0.967 -2.135 0.599) 2.419 26.774 ( -0.921 1.178 -4.426) 4.672 27.156 ( -0.461 0.979 -1.088) 1.534 ======================= Grid point 141 (64/205) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -0.750 9.408 9.675) 13.516 1.264 ( 4.831 -5.787 7.286) 10.484 1.561 ( -6.759 4.891 4.471) 9.465 1.759 ( -2.750 7.499 4.199) 9.024 1.911 ( -0.511 -2.439 4.634) 5.261 2.372 ( -5.530 -5.240 4.433) 8.814 2.437 ( 1.752 3.383 1.979) 4.293 2.603 ( -1.490 -1.498 6.149) 6.502 2.948 ( -3.730 -2.272 6.883) 8.152 3.404 ( -1.718 1.614 3.623) 4.323 3.504 ( 0.471 -1.055 1.569) 1.948 4.076 ( 1.363 0.150 -0.827) 1.601 4.153 ( -0.956 -0.516 -2.896) 3.093 4.380 ( 2.575 -1.125 -3.262) 4.305 5.045 ( 0.085 1.874 1.191) 2.222 5.177 ( 0.448 -2.090 -0.504) 2.197 5.950 ( -2.846 0.026 8.960) 9.401 6.228 ( -0.274 0.630 -0.902) 1.133 6.722 ( 1.707 -0.877 -6.034) 6.332 6.852 ( 1.883 -0.618 -4.754) 5.151 7.458 ( -2.358 -0.793 6.494) 6.954 7.740 ( 1.533 1.773 -2.808) 3.657 7.820 ( 5.160 -0.576 -11.544) 12.658 8.749 ( -4.233 0.300 11.117) 11.899 8.896 ( -4.371 0.585 10.338) 11.240 10.906 ( -1.144 0.062 1.788) 2.124 11.635 ( -0.293 0.219 0.539) 0.651 12.149 ( 1.413 -0.211 -5.625) 5.803 12.453 ( -0.218 -0.281 0.333) 0.488 12.855 ( 2.138 0.299 -4.985) 5.432 13.656 ( -1.686 0.500 3.107) 3.570 13.885 ( 0.502 -0.225 -1.202) 1.322 18.724 ( -0.225 0.066 -1.659) 1.676 18.738 ( -0.509 -0.140 -1.329) 1.430 19.640 ( -0.933 0.253 2.041) 2.258 19.943 ( -2.891 -0.305 4.408) 5.281 21.713 ( 1.355 -0.135 -2.492) 2.840 23.009 ( 5.360 -0.019 -12.734) 13.816 26.255 ( 0.444 1.914 4.266) 4.697 26.635 ( -1.871 -1.706 2.465) 3.534 26.756 ( 1.882 -1.111 -4.457) 4.964 27.141 ( 0.246 1.517 -0.608) 1.653 ======================= Grid point 148 (65/205) ======================= q-point: ( 0.67 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( 5.255 0.000 16.726) 17.532 1.033 ( -1.923 -0.000 -0.942) 2.142 1.763 ( 1.092 0.000 1.644) 1.974 1.780 ( -0.361 -0.000 10.747) 10.753 1.966 ( -6.287 -0.000 -4.203) 7.563 2.298 ( 2.360 0.000 1.036) 2.578 2.510 ( -1.067 -0.000 5.574) 5.675 2.539 ( -4.115 -0.000 3.512) 5.409 2.968 ( -6.701 -0.000 8.978) 11.203 3.364 ( 4.317 0.000 5.755) 7.194 3.488 ( -2.453 -0.000 2.772) 3.701 4.033 ( 0.736 0.000 0.535) 0.910 4.218 ( -1.863 -0.000 -3.803) 4.235 4.332 ( 3.843 0.000 -4.238) 5.721 5.088 ( 2.446 0.000 -2.370) 3.406 5.091 ( -0.421 -0.000 4.480) 4.500 5.936 ( -2.297 -0.000 8.827) 9.121 6.250 ( -0.126 -0.000 -0.553) 0.568 6.719 ( 1.830 0.000 -6.099) 6.367 6.851 ( 0.994 0.000 -4.589) 4.695 7.440 ( -2.035 -0.000 6.934) 7.226 7.757 ( 0.987 0.000 -2.441) 2.633 7.786 ( 6.641 0.000 -12.124) 13.824 8.749 ( -3.701 -0.000 11.273) 11.865 8.907 ( -4.260 -0.000 10.743) 11.556 10.912 ( -1.054 -0.000 2.051) 2.306 11.642 ( -0.815 -0.000 0.599) 1.011 12.171 ( 0.539 0.000 -5.930) 5.955 12.453 ( -0.207 -0.000 0.143) 0.251 12.853 ( 2.065 0.000 -4.904) 5.321 13.676 ( -1.974 -0.000 3.144) 3.712 13.881 ( 0.549 0.000 -1.331) 1.440 18.746 ( -0.390 -0.000 -0.879) 0.961 18.777 ( -2.272 -0.000 -3.405) 4.093 19.646 ( -1.097 -0.000 2.395) 2.634 19.957 ( -2.885 -0.000 5.270) 6.008 21.712 ( 0.726 0.000 -3.090) 3.174 22.990 ( 6.009 0.000 -12.340) 13.725 26.241 ( 0.591 0.000 3.928) 3.972 26.622 ( -0.906 -0.000 -0.076) 0.909 26.784 ( -1.301 -0.000 -4.372) 4.561 27.163 ( -0.479 -0.000 -0.894) 1.014 ======================= Grid point 150 (66/205) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 2.098 13.920 7.660) 16.026 1.129 ( 5.531 -12.228 10.193) 16.852 1.661 ( -9.678 6.889 0.672) 11.898 1.805 ( -5.777 -1.936 7.806) 9.902 1.908 ( 1.774 2.304 1.616) 3.327 2.281 ( -6.307 -4.941 2.511) 8.396 2.483 ( -2.358 1.906 2.115) 3.697 2.579 ( -0.426 -1.318 10.054) 10.149 2.927 ( -3.139 -0.699 5.090) 6.020 3.436 ( 0.368 2.499 3.439) 4.267 3.481 ( -0.120 -2.020 2.432) 3.164 4.069 ( 2.462 -0.571 1.047) 2.736 4.159 ( -1.690 0.598 -4.860) 5.180 4.367 ( 2.954 -0.553 -3.648) 4.727 5.083 ( 0.368 3.287 1.082) 3.480 5.136 ( 1.087 -3.461 -0.350) 3.645 5.951 ( -2.791 0.073 9.023) 9.445 6.236 ( -0.758 0.334 -0.740) 1.110 6.713 ( 2.168 -0.306 -6.822) 7.165 6.843 ( 1.489 -0.438 -4.446) 4.709 7.450 ( -2.092 -0.315 6.474) 6.811 7.761 ( 1.520 0.951 -1.969) 2.663 7.812 ( 5.228 -0.447 -11.902) 13.007 8.752 ( -4.318 0.109 11.099) 11.910 8.903 ( -4.142 0.293 10.560) 11.347 10.906 ( -1.109 0.009 1.819) 2.130 11.637 ( -0.199 0.087 0.709) 0.741 12.147 ( 1.152 -0.078 -5.905) 6.017 12.450 ( -0.234 -0.109 0.162) 0.304 12.858 ( 2.144 0.095 -4.753) 5.215 13.662 ( -2.005 0.209 3.255) 3.829 13.883 ( 0.592 -0.092 -1.325) 1.454 18.724 ( -1.596 -0.032 -2.584) 3.037 18.737 ( -0.186 -0.051 -0.823) 0.845 19.642 ( -0.951 0.112 2.133) 2.338 19.940 ( -2.705 -0.125 4.330) 5.107 21.711 ( 1.339 -0.053 -2.579) 2.907 23.009 ( 5.624 0.011 -12.571) 13.772 26.279 ( 0.895 1.143 5.248) 5.445 26.601 ( -2.203 -1.817 1.327) 3.149 26.757 ( 1.353 0.368 -4.779) 4.981 27.156 ( 0.049 0.528 -0.127) 0.546 ======================= Grid point 151 (67/205) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -1.229 12.134 5.988) 13.587 1.366 ( 3.601 -7.195 10.960) 13.596 1.436 ( -10.934 5.223 0.697) 12.138 1.752 ( -5.969 0.155 9.736) 11.421 1.951 ( 1.506 0.692 4.731) 5.013 2.197 ( -11.640 -8.517 3.937) 14.951 2.455 ( -1.569 -0.557 0.805) 1.849 2.641 ( -1.229 -0.678 13.041) 13.117 2.944 ( 1.090 -1.069 2.763) 3.157 3.426 ( -0.502 3.273 2.644) 4.237 3.489 ( -2.090 -0.062 0.451) 2.139 4.081 ( -1.282 2.005 -6.106) 6.553 4.137 ( 2.624 -1.740 0.637) 3.213 4.392 ( 1.937 -0.751 -2.603) 3.330 5.071 ( -0.014 2.744 0.986) 2.916 5.166 ( 0.665 -1.773 -0.921) 2.106 5.954 ( -3.661 0.154 9.220) 9.922 6.217 ( -0.652 0.032 -0.847) 1.069 6.712 ( 2.636 -0.440 -7.049) 7.538 6.853 ( 2.291 -1.055 -4.077) 4.794 7.455 ( -2.094 -0.309 5.646) 6.030 7.765 ( 1.650 1.911 -2.421) 3.498 7.816 ( 3.523 -0.839 -11.011) 11.591 8.742 ( -5.042 0.120 10.779) 11.901 8.895 ( -4.145 0.925 10.320) 11.160 10.900 ( -0.814 0.098 1.555) 1.758 11.643 ( 0.465 0.334 0.752) 0.945 12.140 ( 2.081 -0.539 -5.599) 5.997 12.449 ( -0.258 -0.280 0.255) 0.458 12.862 ( 2.110 0.259 -4.801) 5.250 13.650 ( -1.686 0.054 3.182) 3.601 13.886 ( 0.694 -0.104 -1.211) 1.400 18.692 ( -0.911 -1.742 -2.356) 3.068 18.735 ( 0.421 0.016 -0.418) 0.594 19.640 ( -0.768 0.195 1.966) 2.120 19.924 ( -2.266 -0.105 3.698) 4.338 21.724 ( 1.750 -0.159 -1.984) 2.650 23.018 ( 5.255 0.469 -12.905) 13.942 26.313 ( 0.503 3.392 6.222) 7.104 26.610 ( -0.229 -4.117 2.393) 4.768 26.755 ( 1.583 -0.457 -3.823) 4.163 27.151 ( 0.088 0.922 -0.498) 1.051 ======================= Grid point 159 (68/205) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -2.646 -0.000 1.810) 3.205 1.275 ( 2.892 0.000 11.896) 12.242 1.506 ( -7.732 -0.000 1.723) 7.922 1.731 ( -7.516 -0.000 8.925) 11.668 1.977 ( 1.729 0.000 6.156) 6.394 2.118 ( -13.997 -0.000 4.818) 14.802 2.448 ( -2.149 -0.000 0.077) 2.151 2.634 ( -1.874 -0.000 14.409) 14.530 2.937 ( 1.586 0.000 1.710) 2.332 3.467 ( -1.285 -0.000 1.270) 1.807 3.473 ( -0.228 -0.000 2.209) 2.221 4.096 ( -1.591 -0.000 -7.058) 7.235 4.125 ( 3.198 0.000 1.130) 3.392 4.386 ( 2.059 0.000 -2.720) 3.411 5.100 ( -0.607 -0.000 0.319) 0.685 5.143 ( 1.910 0.000 -0.316) 1.936 5.955 ( -3.681 -0.000 9.314) 10.015 6.217 ( -0.939 -0.000 -0.749) 1.201 6.709 ( 2.934 0.000 -7.633) 8.178 6.844 ( 1.992 0.000 -3.804) 4.294 7.453 ( -1.945 -0.000 5.560) 5.891 7.782 ( 1.528 0.000 -1.166) 1.922 7.808 ( 3.532 0.000 -12.036) 12.543 8.743 ( -5.061 -0.000 10.731) 11.864 8.903 ( -4.023 -0.000 10.556) 11.297 10.901 ( -0.789 -0.000 1.598) 1.782 11.645 ( 0.501 0.000 0.834) 0.973 12.136 ( 1.977 0.000 -5.705) 6.038 12.447 ( -0.250 -0.000 0.180) 0.308 12.864 ( 2.076 0.000 -4.708) 5.146 13.650 ( -1.874 -0.000 3.284) 3.781 13.885 ( 0.756 0.000 -1.270) 1.478 18.679 ( -1.616 -0.000 -2.526) 2.999 18.735 ( 0.324 0.000 -0.365) 0.488 19.641 ( -0.801 -0.000 2.000) 2.154 19.924 ( -2.222 -0.000 3.678) 4.297 21.723 ( 1.747 0.000 -2.048) 2.692 23.022 ( 5.512 0.000 -12.909) 14.037 26.344 ( 1.456 0.000 7.572) 7.711 26.571 ( -1.137 -0.000 1.052) 1.549 26.755 ( 1.340 0.000 -3.855) 4.082 27.158 ( -0.071 -0.000 -0.335) 0.342 ======================= Grid point 160 (69/205) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -9.650 6.204 5.971) 12.933 1.158 ( -17.236 -5.758 3.141) 18.442 1.561 ( 4.027 9.096 6.992) 12.159 1.700 ( -6.384 -6.694 12.219) 15.325 1.903 ( -12.746 -3.228 6.478) 14.657 2.055 ( -0.075 -1.917 9.520) 9.712 2.424 ( -1.168 -1.441 -0.116) 1.858 2.708 ( 0.091 -0.859 13.154) 13.182 2.975 ( 1.706 -0.576 -0.532) 1.877 3.420 ( -4.057 1.573 0.061) 4.351 3.482 ( 0.125 1.679 2.569) 3.072 4.011 ( -2.241 1.110 -9.352) 9.680 4.180 ( 2.590 -0.984 -0.333) 2.791 4.404 ( 1.455 -0.325 -1.277) 1.963 5.087 ( -0.019 1.202 -0.365) 1.256 5.179 ( 1.759 0.246 1.259) 2.177 5.945 ( -4.461 0.113 9.405) 10.410 6.199 ( -0.746 -0.334 -0.661) 1.051 6.716 ( 3.685 -0.027 -7.577) 8.425 6.862 ( 2.494 -0.916 -3.549) 4.433 7.455 ( -1.528 -0.023 4.420) 4.676 7.776 ( 1.897 0.991 -9.227) 9.472 7.799 ( 1.344 -0.585 -3.233) 3.550 8.720 ( -5.517 0.016 10.429) 11.798 8.900 ( -4.094 0.801 10.771) 11.550 10.901 ( -0.295 0.112 1.471) 1.505 11.662 ( 0.923 0.247 0.839) 1.272 12.142 ( 2.660 -0.423 -5.334) 5.975 12.445 ( -0.256 -0.155 0.259) 0.396 12.867 ( 1.939 0.092 -4.869) 5.242 13.642 ( -1.526 -0.143 3.166) 3.518 13.892 ( 0.892 0.011 -1.163) 1.466 18.646 ( -1.042 -2.178 -2.368) 3.383 18.744 ( 0.778 -0.120 0.247) 0.825 19.642 ( -0.598 0.047 2.017) 2.104 19.915 ( -1.612 -0.016 3.988) 4.302 21.741 ( 1.782 -0.116 -1.738) 2.492 23.026 ( 5.106 0.678 -13.767) 14.699 26.405 ( 1.049 5.980 8.770) 10.667 26.599 ( 1.483 -6.495 2.355) 7.066 26.751 ( 0.790 -0.265 -2.885) 3.003 27.144 ( -0.715 0.259 -1.972) 2.114 ======================= Grid point 169 (70/205) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -17.135 -0.000 5.831) 18.100 0.828 ( -21.218 -0.000 6.583) 22.216 1.438 ( -26.951 -0.000 27.275) 38.344 1.791 ( 7.154 0.000 3.291) 7.875 1.820 ( -0.506 -0.000 2.749) 2.795 2.122 ( 0.871 0.000 8.385) 8.430 2.404 ( -0.335 -0.000 0.883) 0.944 2.793 ( 0.314 0.000 12.030) 12.035 2.977 ( 1.182 0.000 -5.117) 5.252 3.346 ( -5.328 -0.000 0.612) 5.363 3.514 ( 0.470 0.000 2.764) 2.804 3.896 ( -4.705 -0.000 -10.398) 11.413 4.199 ( 1.298 0.000 -2.433) 2.758 4.420 ( 1.050 0.000 -0.166) 1.063 5.090 ( 0.548 0.000 -0.876) 1.033 5.243 ( 3.511 0.000 4.142) 5.430 5.928 ( -4.593 -0.000 9.556) 10.603 6.179 ( -0.869 -0.000 -0.595) 1.053 6.740 ( 4.696 0.000 -6.984) 8.415 6.878 ( 2.443 0.000 -3.468) 4.242 7.461 ( -0.633 -0.000 3.093) 3.157 7.743 ( 2.244 0.000 -11.507) 11.724 7.801 ( -0.216 -0.000 0.273) 0.349 8.693 ( -5.402 -0.000 10.302) 11.632 8.906 ( -3.824 -0.000 11.811) 12.414 10.909 ( 0.044 0.000 1.520) 1.520 11.684 ( 0.874 0.000 0.748) 1.151 12.154 ( 2.779 0.000 -5.054) 5.768 12.442 ( -0.223 -0.000 0.372) 0.434 12.867 ( 1.806 0.000 -5.076) 5.388 13.638 ( -1.300 -0.000 3.067) 3.331 13.900 ( 0.939 0.000 -1.127) 1.467 18.604 ( -0.908 -0.000 -1.879) 2.087 18.764 ( 1.326 0.000 1.229) 1.808 19.646 ( -0.514 -0.000 2.178) 2.237 19.932 ( 0.113 0.000 7.277) 7.278 21.757 ( 1.445 0.000 -1.875) 2.367 23.015 ( 3.939 0.000 -15.987) 16.465 26.552 ( 3.753 0.000 11.998) 12.571 26.591 ( 1.290 0.000 0.688) 1.462 26.742 ( 0.177 0.000 -2.107) 2.114 27.102 ( -2.054 -0.000 -3.984) 4.483 ======================= Grid point 170 (71/205) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 1.637 0.000 16.444) 16.526 0.980 ( -2.854 -0.000 19.568) 19.775 1.601 ( -14.392 -0.000 11.875) 18.658 1.852 ( -6.013 -0.000 -6.895) 9.149 1.972 ( -3.417 -0.000 17.863) 18.187 2.093 ( -1.194 -0.000 5.561) 5.688 2.572 ( -1.901 -0.000 6.146) 6.434 2.667 ( 3.231 0.000 -1.661) 3.633 3.144 ( 1.467 0.000 1.481) 2.085 3.438 ( 1.558 0.000 7.108) 7.277 3.548 ( -1.852 -0.000 9.973) 10.143 4.029 ( 1.903 0.000 -8.838) 9.041 4.101 ( -0.970 -0.000 11.410) 11.451 4.386 ( -1.713 -0.000 -1.767) 2.461 5.146 ( 0.523 0.000 2.988) 3.033 5.201 ( -2.931 -0.000 -4.317) 5.218 6.125 ( 0.716 0.000 -2.522) 2.622 6.198 ( -3.151 -0.000 9.584) 10.089 6.628 ( 6.196 0.000 -11.992) 13.498 6.771 ( 1.558 0.000 -7.447) 7.608 7.491 ( 1.828 0.000 -2.800) 3.344 7.515 ( 4.042 0.000 -8.448) 9.365 7.854 ( -7.710 -0.000 14.463) 16.389 8.867 ( -2.483 -0.000 8.096) 8.468 9.239 ( -6.149 -0.000 16.625) 17.725 10.968 ( -0.135 -0.000 1.611) 1.617 11.714 ( -0.659 -0.000 0.556) 0.862 12.019 ( 3.945 0.000 -10.245) 10.978 12.464 ( -0.091 -0.000 0.927) 0.932 12.738 ( 1.859 0.000 -6.125) 6.401 13.698 ( -1.199 -0.000 2.972) 3.205 13.873 ( 0.822 0.000 -2.126) 2.279 18.582 ( 1.991 0.000 -0.601) 2.080 18.758 ( -0.768 -0.000 -2.930) 3.029 19.737 ( -2.409 -0.000 6.297) 6.743 20.328 ( -0.446 -0.000 1.798) 1.853 21.682 ( 0.591 0.000 -4.488) 4.527 22.544 ( 8.829 0.000 -20.117) 21.969 26.310 ( -10.363 -0.000 2.838) 10.744 26.668 ( 3.449 0.000 -1.438) 3.737 26.699 ( -1.240 -0.000 1.438) 1.899 27.176 ( 0.730 0.000 -4.716) 4.772 ======================= Grid point 171 (72/205) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 8.179 5.906 14.452) 17.625 1.055 ( 1.160 0.247 9.828) 9.899 1.487 ( -9.714 -6.419 8.851) 14.626 1.692 ( -6.887 2.016 -1.958) 7.439 2.037 ( -3.436 -1.840 17.452) 17.882 2.116 ( -1.536 0.575 7.833) 8.003 2.582 ( -1.227 -1.792 4.591) 5.079 2.735 ( 5.294 -0.374 -4.837) 7.180 3.161 ( -0.935 -0.146 3.514) 3.639 3.497 ( 0.826 2.154 6.527) 6.923 3.581 ( -4.364 -1.573 15.163) 15.857 4.010 ( 2.513 0.975 -7.258) 7.742 4.162 ( 1.974 -0.383 3.483) 4.022 4.342 ( -1.375 0.367 -2.915) 3.244 5.111 ( -1.439 4.649 -1.011) 4.970 5.189 ( -0.936 -3.890 2.261) 4.596 6.132 ( 1.554 -0.558 -2.543) 3.032 6.184 ( -4.875 0.486 9.427) 10.624 6.643 ( 4.626 0.823 -10.733) 11.717 6.747 ( 1.181 -0.811 -7.860) 7.990 7.503 ( 2.962 0.858 -5.025) 5.896 7.539 ( 4.398 -0.623 -8.016) 9.164 7.827 ( -6.918 0.273 16.043) 17.474 8.884 ( -1.815 -0.257 8.217) 8.419 9.228 ( -7.396 0.687 17.271) 18.801 10.972 ( -0.624 0.176 1.765) 1.880 11.698 ( -1.448 0.185 0.231) 1.478 12.018 ( 3.475 -0.298 -10.169) 10.750 12.469 ( -0.114 0.026 1.025) 1.032 12.731 ( 1.873 -0.115 -6.250) 6.526 13.698 ( -1.140 -0.403 2.870) 3.115 13.872 ( 0.651 0.144 -1.903) 2.017 18.624 ( 2.472 -1.543 -0.614) 2.978 18.727 ( -0.927 -0.691 -2.699) 2.936 19.732 ( -2.828 0.012 6.005) 6.638 20.269 ( -6.593 1.656 4.715) 8.273 21.663 ( 0.584 -0.076 -4.420) 4.460 22.586 ( 11.272 -0.009 -22.326) 25.011 26.220 ( -3.546 -0.139 4.712) 5.899 26.676 ( -1.583 -0.834 1.073) 2.086 26.736 ( 3.553 -0.256 -0.047) 3.562 27.123 ( -2.512 -0.420 -5.498) 6.059 ======================= Grid point 172 (73/205) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -1.675 8.192 4.029) 9.282 1.226 ( 7.570 -6.117 6.443) 11.672 1.447 ( -3.239 -2.300 5.085) 6.453 1.639 ( -1.146 -0.172 8.419) 8.498 2.097 ( -1.852 -1.236 10.292) 10.530 2.140 ( -2.472 -2.394 11.473) 11.978 2.603 ( -1.426 -2.241 3.655) 4.518 2.757 ( 1.164 1.776 -4.438) 4.920 3.169 ( -1.257 0.255 5.394) 5.544 3.521 ( -0.306 2.185 5.463) 5.891 3.609 ( -5.434 -1.588 15.704) 16.693 4.007 ( 2.492 0.545 -5.808) 6.343 4.202 ( 0.937 1.056 1.095) 1.787 4.306 ( 0.489 0.599 -4.003) 4.077 5.066 ( -0.097 3.332 -0.386) 3.356 5.210 ( -1.522 -2.798 2.835) 4.264 6.145 ( -0.198 0.371 1.989) 2.033 6.167 ( -2.192 -0.585 5.138) 5.616 6.637 ( 3.418 1.345 -9.965) 10.620 6.727 ( 1.656 -1.110 -7.962) 8.208 7.514 ( 2.850 0.323 -5.718) 6.397 7.564 ( 4.706 0.109 -8.590) 9.795 7.816 ( -6.801 0.008 16.828) 18.151 8.910 ( -1.671 -0.422 8.159) 8.339 9.205 ( -7.823 0.546 17.295) 18.990 10.968 ( -1.081 0.181 1.876) 2.173 11.670 ( -1.642 0.127 0.018) 1.647 12.012 ( 3.296 -0.239 -10.359) 10.874 12.473 ( -0.106 0.155 1.132) 1.147 12.725 ( 1.984 -0.316 -6.196) 6.513 13.701 ( -1.133 -0.754 2.772) 3.088 13.869 ( 0.539 0.277 -1.663) 1.770 18.667 ( 1.926 -0.945 -1.126) 2.423 18.708 ( -0.165 -1.334 -2.459) 2.803 19.720 ( -2.912 -0.092 5.544) 6.262 20.179 ( -6.762 1.380 6.460) 9.453 21.649 ( 1.005 0.037 -4.007) 4.132 22.625 ( 10.354 0.096 -22.771) 25.015 26.227 ( -0.141 -0.860 4.333) 4.420 26.665 ( -1.651 -1.423 1.775) 2.811 26.785 ( 2.865 2.461 0.005) 3.777 27.057 ( -1.772 -2.110 -5.000) 5.709 ======================= Grid point 173 (74/205) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -5.476 0.282 3.640) 6.582 1.360 ( 2.687 1.849 7.576) 8.249 1.554 ( 5.714 -6.479 6.959) 11.093 1.695 ( 0.490 0.501 7.777) 7.808 2.103 ( -3.593 1.703 8.059) 8.986 2.234 ( 1.815 -7.936 5.659) 9.914 2.610 ( -1.429 -0.053 3.259) 3.559 2.705 ( -2.657 3.019 0.154) 4.024 3.177 ( -1.180 2.040 5.279) 5.781 3.520 ( -2.275 0.279 3.046) 3.812 3.619 ( -5.629 -0.479 14.570) 15.627 4.010 ( 1.533 -0.389 -3.689) 4.013 4.189 ( -0.757 2.732 0.037) 2.835 4.307 ( 2.615 0.338 -3.816) 4.638 5.050 ( 0.365 1.857 0.353) 1.925 5.213 ( -2.115 -1.743 2.657) 3.817 6.147 ( -2.928 0.321 8.714) 9.198 6.179 ( 1.103 -0.727 -1.460) 1.969 6.615 ( 2.747 1.738 -9.682) 10.213 6.720 ( 2.709 -0.684 -7.887) 8.368 7.521 ( 2.158 -0.166 -5.204) 5.636 7.587 ( 4.905 0.322 -9.246) 10.472 7.810 ( -6.894 -0.629 17.063) 18.413 8.933 ( -2.115 -0.410 7.981) 8.267 9.178 ( -7.928 0.118 16.858) 18.629 10.957 ( -1.419 0.064 1.843) 2.327 11.646 ( -1.129 -0.164 0.032) 1.141 12.001 ( 3.447 0.197 -10.765) 11.305 12.476 ( -0.198 0.416 1.132) 1.222 12.725 ( 2.232 -0.627 -5.950) 6.385 13.705 ( -1.178 -0.930 2.717) 3.104 13.865 ( 0.545 0.403 -1.524) 1.668 18.684 ( 1.057 -0.271 -1.883) 2.176 18.708 ( 0.587 -0.839 -2.022) 2.267 19.708 ( -2.657 -0.265 5.112) 5.767 20.108 ( -5.680 0.821 6.445) 8.630 21.647 ( 1.694 0.229 -3.455) 3.855 22.646 ( 9.245 -0.079 -22.182) 24.032 26.268 ( 0.554 -1.357 4.431) 4.667 26.665 ( -1.249 -1.951 2.172) 3.176 26.788 ( 1.537 5.714 -0.917) 5.987 27.045 ( 0.751 -3.768 -3.297) 5.063 ======================= Grid point 174 (75/205) ======================= q-point: (-0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -1.852 -3.767 10.262) 11.087 1.427 ( -0.036 0.954 8.270) 8.325 1.698 ( 0.536 3.242 5.607) 6.499 1.759 ( 2.059 -6.448 8.604) 10.947 2.073 ( -2.993 2.386 6.735) 7.747 2.343 ( 2.178 -6.704 -1.117) 7.137 2.564 ( -4.896 3.975 3.345) 7.139 2.694 ( 1.804 -0.344 3.948) 4.354 3.160 ( -2.165 4.301 4.900) 6.870 3.478 ( -4.544 -1.517 1.075) 4.910 3.610 ( -5.815 0.133 12.389) 13.686 4.018 ( 0.148 -1.790 -0.900) 2.009 4.156 ( -0.023 3.347 -0.594) 3.400 4.328 ( 2.620 0.251 -3.256) 4.187 5.053 ( 0.379 0.290 0.947) 1.060 5.197 ( -2.551 -0.515 2.195) 3.404 6.153 ( -3.428 -0.324 9.641) 10.237 6.188 ( 1.019 -0.185 -2.263) 2.489 6.585 ( 2.751 2.215 -9.873) 10.486 6.728 ( 3.805 -0.053 -7.655) 8.548 7.524 ( 1.424 -0.443 -3.939) 4.212 7.603 ( 4.301 0.375 -9.424) 10.366 7.813 ( -6.271 -1.532 16.491) 17.709 8.943 ( -2.995 -0.222 7.745) 8.307 9.154 ( -7.606 -0.639 16.545) 18.220 10.944 ( -1.493 -0.104 1.685) 2.253 11.638 ( -0.223 -0.504 0.235) 0.599 11.990 ( 3.955 0.734 -11.122) 11.827 12.474 ( -0.353 0.662 1.049) 1.290 12.733 ( 2.427 -0.853 -5.693) 6.247 13.709 ( -1.246 -0.859 2.744) 3.134 13.862 ( 0.630 0.509 -1.529) 1.730 18.689 ( 0.903 0.396 -2.181) 2.394 18.707 ( 0.724 0.161 -1.931) 2.069 19.701 ( -2.235 -0.407 4.903) 5.404 20.057 ( -4.546 0.421 5.964) 7.511 21.658 ( 2.309 0.431 -3.011) 3.819 22.657 ( 8.456 -0.389 -21.544) 23.147 26.317 ( 0.285 -2.201 4.787) 5.276 26.675 ( -0.924 -1.870 1.972) 2.871 26.764 ( 2.292 6.813 -1.148) 7.279 27.076 ( 1.386 -3.348 -2.071) 4.173 ======================= Grid point 175 (76/205) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 1.039 -3.316 13.803) 14.234 1.427 ( -6.248 -2.815 6.004) 9.111 1.650 ( -3.743 8.512 4.615) 10.381 1.874 ( -2.065 -5.714 9.620) 11.378 2.085 ( 2.007 2.567 5.831) 6.679 2.364 ( -2.120 1.033 1.022) 2.570 2.486 ( -3.579 1.206 2.963) 4.801 2.780 ( 3.795 -1.845 3.000) 5.177 3.109 ( -3.195 5.125 4.335) 7.434 3.415 ( -4.803 -3.331 -0.969) 5.925 3.586 ( -5.148 0.138 10.314) 11.528 4.015 ( -3.148 -1.935 3.111) 4.830 4.142 ( 1.769 2.553 -1.940) 3.662 4.352 ( 2.326 -0.405 -2.115) 3.169 5.073 ( 0.743 -1.107 1.603) 2.085 5.165 ( -2.372 0.449 1.150) 2.674 6.152 ( -3.847 -0.579 8.061) 8.951 6.191 ( 0.431 0.095 -0.479) 0.651 6.556 ( 3.572 2.503 -10.485) 11.356 6.748 ( 4.215 0.487 -7.263) 8.412 7.523 ( 0.401 -0.481 -2.506) 2.584 7.603 ( 3.029 0.812 -9.035) 9.564 7.831 ( -5.037 -2.282 14.993) 15.980 8.933 ( -3.918 0.039 7.518) 8.478 9.145 ( -6.900 -1.566 16.644) 18.085 10.933 ( -1.143 -0.308 1.522) 1.929 11.648 ( 0.608 -0.706 0.494) 1.054 11.985 ( 4.671 1.037 -11.200) 12.180 12.469 ( -0.463 0.717 0.970) 1.292 12.744 ( 2.381 -0.796 -5.604) 6.140 13.710 ( -1.313 -0.548 2.847) 3.183 13.860 ( 0.798 0.474 -1.638) 1.883 18.672 ( 0.370 2.426 -2.791) 3.717 18.717 ( 1.611 -0.073 -1.352) 2.104 19.702 ( -1.804 -0.435 5.010) 5.343 20.027 ( -3.214 0.126 5.781) 6.615 21.678 ( 2.529 0.569 -2.870) 3.867 22.662 ( 7.740 -0.693 -21.226) 22.604 26.368 ( -0.262 -3.738 4.712) 6.021 26.683 ( 0.009 -0.463 0.584) 0.745 26.763 ( 3.477 6.322 0.497) 7.232 27.099 ( 0.386 -2.120 -2.089) 3.001 ======================= Grid point 176 (77/205) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -7.060 1.008 12.456) 14.353 1.326 ( -11.565 2.933 4.519) 12.759 1.573 ( -2.163 -1.936 5.150) 5.912 1.912 ( -0.454 0.439 5.602) 5.638 2.129 ( -2.209 2.584 8.626) 9.272 2.310 ( -5.852 2.813 10.558) 12.394 2.461 ( -0.124 0.637 0.196) 0.678 2.860 ( 2.586 -0.669 0.906) 2.820 3.039 ( -3.406 4.411 2.602) 6.151 3.364 ( -3.844 -4.654 -0.661) 6.072 3.567 ( -2.972 0.719 5.388) 6.195 3.993 ( -5.417 -1.953 9.808) 11.374 4.141 ( 1.843 1.852 -4.021) 4.795 4.385 ( 1.864 -1.236 -0.651) 2.330 5.104 ( -0.612 0.283 3.511) 3.575 5.147 ( 1.263 -2.066 -1.520) 2.859 6.138 ( -3.638 -0.665 6.396) 7.388 6.193 ( -0.462 0.632 1.336) 1.549 6.540 ( 4.869 2.128 -11.150) 12.351 6.767 ( 3.976 0.779 -6.862) 7.969 7.512 ( -0.433 -0.466 -1.941) 2.043 7.580 ( 1.768 1.467 -8.190) 8.507 7.862 ( -4.164 -2.501 13.476) 14.325 8.909 ( -4.383 0.202 7.413) 8.614 9.156 ( -6.215 -2.182 17.094) 18.319 10.931 ( -0.474 -0.492 1.441) 1.594 11.671 ( 0.994 -0.694 0.679) 1.389 11.991 ( 5.204 1.012 -11.009) 12.219 12.462 ( -0.463 0.564 0.953) 1.200 12.751 ( 2.144 -0.496 -5.684) 6.095 13.709 ( -1.344 -0.123 2.973) 3.265 13.862 ( 1.006 0.247 -1.816) 2.090 18.638 ( 0.461 3.730 -3.029) 4.827 18.741 ( 2.119 0.218 -1.046) 2.373 19.710 ( -1.513 -0.336 5.383) 5.602 20.028 ( -1.078 -0.310 6.460) 6.557 21.695 ( 2.256 0.595 -3.104) 3.883 22.655 ( 6.702 -0.852 -21.343) 22.387 26.420 ( -0.908 -5.957 3.839) 7.145 26.691 ( 0.740 -0.164 -0.971) 1.232 26.791 ( 4.303 7.055 1.800) 8.458 27.089 ( -0.930 -0.652 -2.402) 2.656 ======================= Grid point 177 (78/205) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -15.364 3.616 8.745) 18.044 1.087 ( -16.071 3.341 10.915) 19.712 1.680 ( 3.676 -6.894 6.046) 9.879 1.932 ( 1.086 2.827 2.244) 3.769 2.057 ( -12.695 3.574 17.774) 22.132 2.251 ( -5.061 3.279 3.498) 6.971 2.481 ( 0.422 -1.081 4.682) 4.824 2.838 ( -4.401 2.211 -3.275) 5.915 3.016 ( 2.566 2.784 3.458) 5.128 3.350 ( -2.081 -4.012 2.077) 4.974 3.541 ( -1.403 1.706 1.275) 2.551 3.996 ( -5.553 -3.022 14.590) 15.901 4.122 ( 0.828 2.550 -4.037) 4.846 4.414 ( 0.643 -1.165 -0.243) 1.353 5.100 ( -0.480 0.643 2.143) 2.288 5.210 ( 3.456 -3.857 -1.817) 5.489 6.132 ( -2.435 -0.908 6.820) 7.299 6.177 ( -1.288 1.779 1.237) 2.521 6.551 ( 6.321 0.785 -11.667) 13.292 6.782 ( 3.459 0.796 -6.687) 7.571 7.494 ( -0.396 -0.648 -2.408) 2.525 7.544 ( 1.411 1.770 -7.378) 7.718 7.890 ( -4.647 -2.149 12.736) 13.727 8.882 ( -4.139 0.208 7.536) 8.600 9.183 ( -5.524 -2.244 17.471) 18.460 10.941 ( 0.098 -0.506 1.437) 1.527 11.696 ( 0.811 -0.511 0.752) 1.219 12.003 ( 5.174 0.784 -10.724) 11.933 12.458 ( -0.323 0.305 1.003) 1.097 12.751 ( 1.932 -0.157 -5.830) 6.144 13.705 ( -1.321 0.199 3.049) 3.329 13.867 ( 1.087 0.002 -2.050) 2.320 18.600 ( 0.688 4.216 -2.748) 5.080 18.768 ( 2.171 0.497 -1.447) 2.656 19.722 ( -1.534 -0.196 5.880) 6.080 20.090 ( 2.992 -1.306 7.610) 8.281 21.703 ( 1.648 0.505 -3.623) 4.012 22.624 ( 5.002 -0.596 -21.524) 22.105 26.469 ( -2.071 -8.758 2.384) 9.310 26.691 ( 0.167 -0.312 -2.754) 2.777 26.797 ( 1.359 9.160 -0.754) 9.291 27.076 ( 1.642 0.277 -0.025) 1.666 ======================= Grid point 178 (79/205) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -10.795 -1.160 13.323) 17.187 0.952 ( -10.545 -0.998 19.737) 22.399 1.759 ( -6.596 1.519 8.307) 10.716 1.912 ( -4.729 -1.862 6.184) 8.005 1.961 ( -5.499 1.915 12.573) 13.856 2.140 ( -5.129 3.787 -0.012) 6.376 2.534 ( -0.718 -3.862 6.452) 7.554 2.709 ( -4.068 5.005 -1.517) 6.626 3.086 ( 4.093 0.774 2.105) 4.667 3.376 ( 0.063 -1.572 5.352) 5.578 3.526 ( -0.652 1.121 3.658) 3.881 4.027 ( -2.778 -4.107 8.018) 9.427 4.088 ( -0.813 3.950 1.665) 4.363 4.415 ( -0.863 -0.518 -0.803) 1.287 5.114 ( 0.493 -0.668 2.210) 2.361 5.253 ( 0.618 -1.763 -4.461) 4.837 6.140 ( 0.068 0.994 -2.235) 2.447 6.167 ( -1.924 -0.324 10.512) 10.692 6.589 ( 7.155 -0.385 -12.322) 14.254 6.785 ( 2.556 0.625 -6.933) 7.415 7.483 ( 0.489 -0.919 -2.567) 2.770 7.516 ( 2.466 1.426 -7.559) 8.078 7.889 ( -6.693 -1.152 12.852) 14.536 8.866 ( -3.367 0.148 7.818) 8.513 9.219 ( -4.977 -1.534 16.974) 17.754 10.957 ( 0.196 -0.285 1.492) 1.531 11.712 ( 0.199 -0.259 0.748) 0.817 12.015 ( 4.616 0.432 -10.461) 11.442 12.460 ( -0.113 0.072 0.998) 1.007 12.746 ( 1.856 0.030 -5.974) 6.256 13.701 ( -1.271 0.259 3.040) 3.305 13.871 ( 0.970 -0.077 -2.210) 2.415 18.574 ( 1.097 2.904 -1.633) 3.508 18.779 ( 0.889 0.490 -2.592) 2.784 19.733 ( -1.886 -0.088 6.264) 6.543 20.235 ( 6.561 -2.217 5.157) 8.634 21.698 ( 0.988 0.292 -4.179) 4.304 22.566 ( 4.313 0.089 -20.386) 20.837 26.469 ( -8.993 -8.603 0.001) 12.445 26.652 ( 1.236 5.215 -4.632) 7.084 26.724 ( -1.584 4.026 1.246) 4.502 27.142 ( 4.998 0.114 -0.873) 5.075 ======================= Grid point 180 (80/205) ======================= q-point: ( 0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -5.735 -0.000 -3.885) 6.927 1.174 ( 9.166 0.000 12.081) 15.165 1.424 ( -1.379 -0.000 8.035) 8.153 1.649 ( -0.911 -0.000 7.380) 7.436 2.076 ( -3.037 -0.000 14.602) 14.915 2.130 ( -3.349 -0.000 8.849) 9.462 2.583 ( -0.707 -0.000 4.047) 4.108 2.770 ( 1.822 0.000 -4.794) 5.129 3.172 ( -0.746 -0.000 5.460) 5.511 3.539 ( -1.214 -0.000 4.585) 4.743 3.596 ( -4.824 -0.000 16.415) 17.109 4.011 ( 1.915 0.000 -5.624) 5.941 4.211 ( 2.040 0.000 0.764) 2.178 4.310 ( 0.142 0.000 -4.100) 4.102 5.103 ( -0.575 -0.000 -1.049) 1.196 5.176 ( -1.189 -0.000 3.001) 3.228 6.148 ( 2.280 0.000 -2.410) 3.318 6.163 ( -4.610 -0.000 9.451) 10.516 6.648 ( 3.387 0.000 -9.909) 10.472 6.718 ( 1.866 0.000 -8.121) 8.333 7.516 ( 2.554 0.000 -5.860) 6.393 7.564 ( 4.983 0.000 -8.761) 10.079 7.816 ( -7.037 -0.000 16.998) 18.397 8.907 ( -1.646 -0.000 8.209) 8.372 9.209 ( -8.050 -0.000 17.307) 19.087 10.969 ( -1.171 -0.000 1.929) 2.257 11.671 ( -1.739 -0.000 -0.013) 1.739 12.010 ( 3.399 0.000 -10.188) 10.740 12.474 ( -0.066 -0.000 1.188) 1.190 12.723 ( 1.936 0.000 -6.253) 6.546 13.696 ( -1.114 -0.000 2.782) 2.997 13.871 ( 0.547 0.000 -1.683) 1.770 18.660 ( 2.482 0.000 -0.413) 2.516 18.698 ( -0.251 -0.000 -2.515) 2.527 19.720 ( -2.944 -0.000 5.510) 6.247 20.189 ( -7.217 -0.000 6.310) 9.587 21.650 ( 1.065 0.000 -3.980) 4.120 22.625 ( 10.472 0.000 -23.155) 25.413 26.221 ( -0.177 -0.000 4.344) 4.347 26.651 ( -2.225 -0.000 2.939) 3.686 26.808 ( 4.496 0.000 0.034) 4.496 27.040 ( -2.535 -0.000 -5.646) 6.189 ======================= Grid point 181 (81/205) ======================= q-point: ( 0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -6.745 0.154 -2.063) 7.055 1.370 ( 5.612 -0.348 9.832) 11.326 1.502 ( 3.117 -0.872 8.418) 9.019 1.716 ( 2.285 1.484 8.319) 8.754 2.116 ( -3.869 0.397 8.625) 9.462 2.140 ( 0.155 -4.272 7.309) 8.468 2.602 ( -0.373 -0.561 3.284) 3.352 2.738 ( -2.831 1.238 0.033) 3.090 3.201 ( 0.119 1.034 5.474) 5.573 3.520 ( -3.400 -0.112 2.154) 4.026 3.616 ( -5.011 -0.013 15.277) 16.078 4.003 ( 0.183 -0.389 -2.732) 2.765 4.230 ( 0.787 2.283 -0.281) 2.431 4.302 ( 2.123 -0.806 -4.980) 5.474 5.085 ( 0.048 2.445 -0.168) 2.452 5.177 ( -2.026 -2.539 2.657) 4.196 6.151 ( -3.648 0.191 9.042) 9.752 6.173 ( 2.078 -0.165 -1.997) 2.887 6.634 ( 2.712 0.801 -9.349) 9.768 6.710 ( 3.141 -0.467 -8.050) 8.654 7.519 ( 2.278 -0.093 -6.212) 6.618 7.589 ( 4.739 0.053 -9.187) 10.338 7.804 ( -7.404 -0.174 17.519) 19.020 8.929 ( -2.042 -0.161 8.080) 8.335 9.180 ( -8.263 0.087 16.888) 18.801 10.958 ( -1.572 0.014 1.946) 2.501 11.645 ( -1.293 -0.061 -0.043) 1.295 12.003 ( 3.669 0.083 -10.508) 11.130 12.480 ( -0.114 0.167 1.273) 1.288 12.718 ( 2.147 -0.270 -6.101) 6.473 13.696 ( -1.054 -0.349 2.653) 2.876 13.869 ( 0.543 0.149 -1.479) 1.583 18.684 ( 0.914 0.201 -2.080) 2.281 18.696 ( 1.570 -0.688 -1.276) 2.137 19.706 ( -2.701 -0.094 5.050) 5.728 20.117 ( -6.085 0.323 6.424) 8.854 21.650 ( 1.755 0.097 -3.331) 3.766 22.645 ( 9.253 -0.017 -22.631) 24.450 26.256 ( 0.605 -0.419 4.235) 4.299 26.642 ( -1.698 -0.994 3.431) 3.955 26.865 ( 3.273 4.229 -0.080) 5.349 26.990 ( -0.118 -3.384 -4.773) 5.852 ======================= Grid point 182 (82/205) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -1.600 -1.307 9.158) 9.388 1.467 ( 0.162 3.727 7.690) 8.547 1.639 ( 3.436 -5.191 10.347) 12.075 1.782 ( 1.826 3.460 5.791) 6.988 2.092 ( -3.770 0.497 7.365) 8.289 2.242 ( 3.750 -6.478 -0.337) 7.493 2.605 ( -2.354 1.390 2.634) 3.797 2.691 ( -2.062 0.156 4.498) 4.951 3.216 ( -0.603 3.241 4.554) 5.622 3.458 ( -5.277 -1.163 0.212) 5.407 3.614 ( -6.104 0.447 14.035) 15.312 3.993 ( -1.030 -1.572 -0.018) 1.880 4.211 ( 0.764 4.003 -1.625) 4.388 4.320 ( 2.255 -1.425 -4.570) 5.292 5.070 ( -0.163 1.985 0.869) 2.173 5.174 ( -2.502 -2.473 2.485) 4.307 6.149 ( -3.546 -0.200 9.083) 9.753 6.191 ( 1.633 0.365 -2.195) 2.760 6.612 ( 2.658 1.512 -9.123) 9.622 6.726 ( 4.238 -0.249 -7.765) 8.850 7.518 ( 1.869 -0.389 -5.497) 5.819 7.606 ( 4.211 -0.029 -9.446) 10.342 7.796 ( -7.095 -0.779 17.476) 18.877 8.940 ( -2.900 -0.171 7.917) 8.433 9.148 ( -8.065 -0.260 16.472) 18.342 10.942 ( -1.680 -0.101 1.772) 2.444 11.632 ( -0.367 -0.315 0.144) 0.505 11.999 ( 4.185 0.479 -10.949) 11.731 12.483 ( -0.291 0.465 1.227) 1.343 12.722 ( 2.403 -0.628 -5.868) 6.372 13.699 ( -0.965 -0.522 2.541) 2.768 13.868 ( 0.581 0.307 -1.378) 1.527 18.689 ( 1.318 -0.179 -2.080) 2.469 18.713 ( 1.443 0.464 -1.806) 2.358 19.696 ( -2.263 -0.253 4.838) 5.347 20.062 ( -4.818 0.264 5.985) 7.688 21.664 ( 2.344 0.297 -2.780) 3.648 22.653 ( 8.359 -0.252 -21.891) 23.435 26.295 ( 0.154 -0.959 4.442) 4.547 26.651 ( -0.877 -1.380 3.243) 3.632 26.859 ( 2.485 6.501 -1.755) 7.178 27.019 ( 1.787 -4.567 -2.230) 5.388 ======================= Grid point 183 (83/205) ======================= q-point: (-0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 3.150 -1.058 16.186) 16.523 1.432 ( -5.746 2.897 5.347) 8.366 1.760 ( -1.779 5.392 2.842) 6.350 1.794 ( -1.113 -3.391 12.566) 13.063 2.107 ( 1.425 0.136 5.336) 5.524 2.329 ( 2.682 -4.913 -2.899) 6.304 2.532 ( -5.130 4.543 4.058) 7.963 2.739 ( 1.905 -3.670 4.076) 5.806 3.187 ( -2.285 5.242 3.406) 6.656 3.374 ( -5.701 -2.320 -0.682) 6.192 3.590 ( -6.355 0.463 13.395) 14.833 3.987 ( -2.151 -1.908 2.179) 3.608 4.186 ( 1.185 3.541 -2.668) 4.589 4.336 ( 1.661 -1.812 -3.854) 4.571 5.067 ( 0.017 0.397 1.796) 1.840 5.159 ( -2.795 -1.323 2.337) 3.876 6.147 ( -3.697 -0.263 8.458) 9.234 6.195 ( 0.927 0.518 -1.663) 1.973 6.589 ( 3.163 2.092 -9.276) 10.021 6.753 ( 4.586 0.264 -7.339) 8.657 7.516 ( 1.115 -0.462 -4.157) 4.329 7.609 ( 3.263 0.092 -9.254) 9.813 7.802 ( -5.999 -1.673 16.457) 17.596 8.933 ( -3.875 -0.050 7.771) 8.683 9.127 ( -7.278 -0.958 16.405) 17.973 10.928 ( -1.356 -0.315 1.529) 2.068 11.639 ( 0.541 -0.588 0.418) 0.902 11.999 ( 4.811 0.883 -11.222) 12.242 12.479 ( -0.482 0.709 1.104) 1.398 12.732 ( 2.493 -0.825 -5.727) 6.301 13.703 ( -0.877 -0.450 2.502) 2.689 13.867 ( 0.620 0.402 -1.392) 1.575 18.699 ( 1.386 0.906 -2.279) 2.817 18.721 ( 2.020 0.923 -2.050) 3.022 19.695 ( -1.780 -0.386 4.955) 5.279 20.028 ( -3.468 0.084 5.734) 6.702 21.686 ( 2.520 0.516 -2.578) 3.642 22.653 ( 7.576 -0.591 -21.369) 22.680 26.329 ( -0.703 -1.905 4.472) 4.912 26.668 ( -0.283 -1.182 2.136) 2.458 26.856 ( 3.850 6.273 -1.116) 7.444 27.062 ( 1.184 -3.168 -1.884) 3.871 ======================= Grid point 184 (84/205) ======================= q-point: (-0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -2.747 3.458 15.285) 15.910 1.344 ( -5.325 0.922 3.679) 6.538 1.616 ( -8.551 6.212 2.399) 10.838 1.881 ( -0.718 -2.970 8.830) 9.343 2.170 ( 1.188 1.165 4.894) 5.169 2.347 ( -4.146 1.239 6.292) 7.636 2.462 ( -1.570 1.081 1.114) 2.207 2.830 ( 2.665 -3.581 2.271) 5.008 3.117 ( -2.707 5.821 1.560) 6.606 3.305 ( -4.425 -3.281 0.258) 5.515 3.573 ( -4.450 0.409 10.844) 11.728 3.973 ( -3.630 -0.949 6.024) 7.097 4.167 ( 1.406 1.944 -4.261) 4.890 4.357 ( 1.327 -2.744 -2.544) 3.970 5.093 ( 1.012 -1.489 2.605) 3.167 5.132 ( -2.531 -0.309 1.748) 3.092 6.134 ( -3.528 0.144 6.923) 7.771 6.198 ( 0.240 0.138 0.005) 0.277 6.573 ( 3.957 2.264 -9.746) 10.760 6.778 ( 4.159 0.716 -6.863) 8.056 7.507 ( 0.226 -0.242 -3.282) 3.299 7.595 ( 2.025 0.601 -8.345) 8.608 7.825 ( -4.886 -2.505 14.674) 15.668 8.911 ( -4.417 0.109 7.681) 8.861 9.127 ( -6.297 -1.642 16.758) 17.977 10.923 ( -0.666 -0.591 1.376) 1.639 11.661 ( 1.004 -0.744 0.632) 1.400 12.006 ( 5.284 1.084 -11.194) 12.426 12.472 ( -0.555 0.736 1.010) 1.367 12.742 ( 2.350 -0.716 -5.762) 6.264 13.707 ( -0.842 -0.139 2.570) 2.708 13.866 ( 0.695 0.298 -1.514) 1.692 18.690 ( 1.486 3.130 -3.166) 4.693 18.746 ( 2.753 0.581 -1.678) 3.276 19.704 ( -1.412 -0.392 5.304) 5.503 20.022 ( -1.649 -0.390 6.209) 6.436 21.705 ( 2.198 0.660 -2.814) 3.631 22.643 ( 6.603 -0.818 -21.151) 22.172 26.354 ( -1.718 -3.334 4.180) 5.616 26.680 ( -0.285 -1.062 0.269) 1.132 26.886 ( 5.246 6.034 -0.103) 7.997 27.075 ( 0.234 -1.283 -2.316) 2.658 ======================= Grid point 185 (85/205) ======================= q-point: (-0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -12.785 7.312 10.645) 18.172 1.163 ( -14.950 7.595 1.840) 16.869 1.600 ( 3.545 -4.356 6.660) 8.712 1.921 ( -1.744 -2.575 4.031) 5.091 2.151 ( -6.906 5.875 10.726) 14.045 2.288 ( -5.847 3.003 9.926) 11.905 2.457 ( -0.903 -1.942 0.161) 2.148 2.864 ( -1.324 0.853 -1.010) 1.871 3.072 ( 1.557 4.620 2.031) 5.281 3.288 ( -1.411 -4.116 2.219) 4.885 3.564 ( -2.551 1.555 6.494) 7.148 3.966 ( -4.263 -1.074 10.892) 11.746 4.149 ( 1.186 1.239 -4.862) 5.156 4.384 ( 0.853 -3.063 -1.709) 3.610 5.106 ( -1.647 -0.348 0.934) 1.925 5.153 ( 1.972 -3.179 2.573) 4.540 6.124 ( -2.504 -0.143 6.735) 7.186 6.196 ( -0.516 0.696 0.554) 1.028 6.569 ( 4.785 1.562 -10.320) 11.482 6.794 ( 3.498 0.902 -6.535) 7.466 7.487 ( 0.072 -0.186 -3.695) 3.700 7.567 ( 1.226 1.157 -7.020) 7.220 7.852 ( -4.919 -2.872 13.311) 14.478 8.886 ( -4.152 0.251 7.722) 8.771 9.149 ( -5.550 -2.086 17.327) 18.313 10.932 ( 0.019 -0.787 1.354) 1.566 11.687 ( 0.860 -0.743 0.716) 1.343 12.018 ( 5.267 1.112 -10.963) 12.213 12.465 ( -0.452 0.552 0.994) 1.224 12.747 ( 2.133 -0.413 -5.901) 6.289 13.708 ( -0.883 0.283 2.716) 2.870 13.867 ( 0.781 0.029 -1.747) 1.914 18.667 ( 1.708 4.583 -3.688) 6.126 18.778 ( 2.878 0.864 -2.172) 3.708 19.718 ( -1.402 -0.273 5.734) 5.909 20.067 ( 1.290 -1.787 7.344) 7.667 21.712 ( 1.559 0.678 -3.391) 3.793 22.615 ( 5.330 -0.568 -21.002) 21.676 26.370 ( -3.159 -5.108 3.823) 7.120 26.676 ( -0.674 -1.429 -1.675) 2.302 26.914 ( 2.885 6.857 -2.521) 7.855 27.080 ( 2.372 0.248 -0.780) 2.509 ======================= Grid point 186 (86/205) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -15.259 5.341 8.112) 18.088 0.951 ( -10.351 2.288 14.870) 18.262 1.739 ( 2.449 -4.450 3.736) 6.306 1.899 ( -5.710 -2.416 1.970) 6.505 2.028 ( -10.174 8.555 18.154) 22.500 2.211 ( -5.458 5.268 2.990) 8.154 2.471 ( -0.743 -4.142 4.149) 5.909 2.792 ( -2.109 5.265 -1.640) 5.904 3.109 ( 2.887 2.321 2.647) 4.554 3.339 ( 1.570 -3.299 3.715) 5.211 3.552 ( -1.862 2.360 6.768) 7.405 3.982 ( -2.982 -2.020 9.124) 9.809 4.129 ( 0.485 1.746 -2.048) 2.734 4.398 ( -0.277 -1.986 -1.748) 2.660 5.096 ( -0.901 -1.902 0.136) 2.109 5.217 ( 0.941 -2.682 1.121) 3.056 6.143 ( -0.581 -0.902 5.458) 5.562 6.176 ( -1.535 1.567 2.137) 3.062 6.584 ( 5.666 -0.160 -10.914) 12.299 6.798 ( 2.651 1.064 -6.696) 7.280 7.471 ( 0.981 -0.587 -4.621) 4.760 7.539 ( 1.711 1.364 -6.150) 6.528 7.861 ( -6.361 -2.411 13.198) 14.848 8.870 ( -3.272 0.383 7.874) 8.536 9.187 ( -5.121 -2.419 17.518) 18.411 10.949 ( 0.248 -0.736 1.416) 1.615 11.706 ( 0.240 -0.631 0.694) 0.968 12.025 ( 4.691 1.022 -10.680) 11.710 12.462 ( -0.239 0.260 0.994) 1.055 12.746 ( 1.991 -0.102 -6.056) 6.376 13.707 ( -0.990 0.612 2.838) 3.067 13.869 ( 0.791 -0.182 -1.983) 2.143 18.638 ( 1.755 5.181 -3.513) 6.501 18.792 ( 1.505 1.251 -3.315) 3.849 19.731 ( -1.799 -0.165 6.147) 6.407 20.183 ( 3.912 -4.502 6.587) 8.886 21.704 ( 0.880 0.581 -4.059) 4.194 22.569 ( 5.056 0.376 -20.225) 20.851 26.359 ( -6.174 -5.918 3.517) 9.247 26.662 ( -0.072 -1.566 -3.480) 3.817 26.840 ( -1.509 8.939 -2.994) 9.547 27.144 ( 4.713 0.035 -1.418) 4.922 ======================= Grid point 187 (87/205) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 0.110 -7.525 16.969) 18.563 0.952 ( -1.908 -0.740 17.170) 17.291 1.676 ( -11.726 6.119 7.540) 15.225 1.820 ( -6.470 -2.113 -2.073) 7.115 1.995 ( -2.677 2.144 15.648) 16.020 2.112 ( -4.020 2.907 5.893) 7.703 2.544 ( 2.429 -2.634 3.822) 5.239 2.723 ( 0.095 5.788 -0.775) 5.841 3.148 ( 1.066 0.769 2.110) 2.486 3.418 ( 1.653 -2.598 5.533) 6.333 3.563 ( -2.197 1.915 11.509) 11.872 4.002 ( 0.492 -2.407 -1.587) 2.925 4.125 ( 0.359 1.975 3.740) 4.245 4.380 ( -1.446 -0.814 -2.175) 2.736 5.102 ( -0.965 -4.137 -0.397) 4.267 5.223 ( -1.207 1.277 0.599) 1.857 6.139 ( 0.563 1.622 -2.899) 3.369 6.186 ( -3.243 -1.386 9.981) 10.586 6.617 ( 5.791 -1.257 -11.303) 12.762 6.781 ( 1.584 1.225 -7.294) 7.564 7.477 ( 2.570 -1.256 -5.009) 5.769 7.530 ( 3.039 1.289 -6.500) 7.290 7.844 ( -7.302 -1.171 14.521) 16.296 8.870 ( -2.414 0.433 8.063) 8.428 9.223 ( -5.932 -1.958 17.122) 18.226 10.965 ( -0.070 -0.467 1.564) 1.634 11.711 ( -0.626 -0.449 0.531) 0.936 12.025 ( 3.949 0.737 -10.388) 11.137 12.465 ( -0.133 0.036 0.944) 0.954 12.739 ( 1.906 0.096 -6.171) 6.459 13.703 ( -1.106 0.670 2.886) 3.163 13.871 ( 0.756 -0.227 -2.029) 2.177 18.615 ( 1.939 4.079 -2.075) 4.971 18.768 ( -0.552 1.246 -3.297) 3.568 19.737 ( -2.370 -0.088 6.278) 6.711 20.290 ( -0.614 -4.799 3.555) 6.004 21.684 ( 0.477 0.346 -4.458) 4.497 22.548 ( 8.659 0.612 -20.103) 21.897 26.287 ( -7.907 -2.322 3.896) 9.115 26.667 ( 2.120 -1.707 -3.509) 4.441 26.746 ( -1.578 6.957 1.170) 7.229 27.176 ( 0.805 -0.100 -4.532) 4.604 ======================= Grid point 190 (88/205) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -1.139 -0.000 8.260) 8.338 1.497 ( 1.376 0.000 6.112) 6.265 1.604 ( 2.865 0.000 12.833) 13.148 1.807 ( 2.130 0.000 5.306) 5.717 2.095 ( -4.185 -0.000 7.620) 8.694 2.190 ( 4.395 0.000 0.071) 4.396 2.612 ( -0.747 -0.000 2.815) 2.913 2.694 ( -4.109 -0.000 4.464) 6.067 3.241 ( 0.000 0.000 4.294) 4.294 3.449 ( -5.419 -0.000 -0.111) 5.420 3.618 ( -6.248 -0.000 14.762) 16.030 3.981 ( -1.385 -0.000 0.178) 1.397 4.251 ( 0.596 0.000 -0.351) 0.692 4.299 ( 2.403 0.000 -6.685) 7.103 5.094 ( -0.097 -0.000 -0.075) 0.122 5.146 ( -2.718 -0.000 3.479) 4.415 6.148 ( -3.515 -0.000 8.749) 9.428 6.194 ( 1.766 0.000 -2.014) 2.678 6.624 ( 2.543 0.000 -8.741) 9.104 6.723 ( 4.493 0.000 -7.857) 9.051 7.515 ( 2.031 0.000 -6.116) 6.444 7.605 ( 4.124 0.000 -9.404) 10.269 7.790 ( -7.366 -0.000 17.773) 19.239 8.938 ( -2.869 -0.000 7.984) 8.484 9.146 ( -8.223 -0.000 16.443) 18.385 10.942 ( -1.753 -0.000 1.807) 2.518 11.630 ( -0.425 -0.000 0.111) 0.439 12.003 ( 4.273 0.000 -10.885) 11.694 12.486 ( -0.260 -0.000 1.309) 1.334 12.717 ( 2.390 0.000 -5.944) 6.407 13.695 ( -0.862 -0.000 2.467) 2.613 13.870 ( 0.569 0.000 -1.328) 1.444 18.688 ( 1.363 0.000 -2.123) 2.523 18.717 ( 1.838 0.000 -1.660) 2.477 19.694 ( -2.277 -0.000 4.810) 5.321 20.064 ( -4.926 -0.000 5.993) 7.757 21.666 ( 2.355 0.000 -2.681) 3.569 22.651 ( 8.322 0.000 -22.043) 23.561 26.288 ( 0.141 0.000 4.307) 4.310 26.640 ( -0.821 -0.000 3.676) 3.767 26.944 ( 2.730 0.000 1.147) 2.961 26.949 ( 1.706 0.000 -5.358) 5.623 ======================= Grid point 191 (89/205) ======================= q-point: (-0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 4.319 -0.002 16.737) 17.285 1.476 ( -5.530 2.121 3.913) 7.099 1.752 ( 2.849 -0.378 13.683) 13.981 1.831 ( -2.576 1.997 2.958) 4.402 2.096 ( 0.222 -1.006 4.655) 4.767 2.266 ( 3.764 -2.826 -2.883) 5.520 2.593 ( -2.927 3.426 3.180) 5.515 2.686 ( -0.940 -3.168 5.257) 6.209 3.242 ( -1.590 2.177 2.314) 3.553 3.351 ( -6.065 -0.847 -0.278) 6.130 3.597 ( -7.114 0.370 15.332) 16.906 3.966 ( -1.503 -0.913 1.821) 2.531 4.239 ( 0.649 3.519 -2.388) 4.302 4.301 ( 1.317 -2.871 -5.957) 6.743 5.083 ( -0.566 1.451 0.945) 1.822 5.133 ( -2.739 -1.866 4.023) 5.212 6.144 ( -3.456 -0.074 8.531) 9.205 6.202 ( 0.964 0.316 -2.204) 2.426 6.611 ( 2.774 0.815 -8.404) 8.887 6.755 ( 4.900 0.083 -7.336) 8.822 7.511 ( 1.630 -0.235 -5.188) 5.443 7.608 ( 3.296 -0.127 -9.461) 10.019 7.786 ( -6.562 -0.538 17.326) 18.535 8.932 ( -3.847 -0.033 7.922) 8.806 9.118 ( -7.438 -0.287 16.246) 17.870 10.925 ( -1.487 -0.134 1.538) 2.143 11.633 ( 0.496 -0.226 0.374) 0.661 12.008 ( 4.896 0.343 -11.251) 12.275 12.487 ( -0.490 0.306 1.219) 1.349 12.723 ( 2.563 -0.363 -5.823) 6.372 13.698 ( -0.617 -0.172 2.295) 2.383 13.871 ( 0.527 0.156 -1.252) 1.367 18.703 ( 1.843 0.030 -1.789) 2.568 18.735 ( 2.373 0.637 -2.619) 3.591 19.691 ( -1.779 -0.153 4.931) 5.245 20.029 ( -3.636 0.027 5.694) 6.756 21.691 ( 2.499 0.208 -2.368) 3.449 22.646 ( 7.512 -0.230 -21.504) 22.779 26.312 ( -0.817 -0.546 4.257) 4.368 26.655 ( -0.305 -0.515 2.944) 3.005 26.938 ( 3.518 5.113 -2.556) 6.712 27.010 ( 1.936 -4.042 -1.076) 4.609 ======================= Grid point 192 (90/205) ======================= q-point: (-0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 2.937 2.655 15.941) 16.425 1.371 ( -5.757 2.437 2.778) 6.841 1.708 ( -9.366 5.775 0.072) 11.003 1.851 ( -1.014 -0.930 11.084) 11.169 2.161 ( 1.433 -1.527 3.802) 4.340 2.311 ( 0.096 -4.613 -0.587) 4.651 2.524 ( -3.357 6.200 4.711) 8.480 2.764 ( 2.423 -5.308 3.767) 6.945 3.188 ( -2.793 3.846 0.198) 4.757 3.272 ( -4.614 -1.575 1.356) 5.061 3.581 ( -5.743 0.664 15.414) 16.462 3.963 ( -1.523 -0.599 3.186) 3.581 4.201 ( 0.639 2.996 -4.814) 5.706 4.309 ( 0.684 -3.889 -4.241) 5.795 5.078 ( -0.169 -0.385 0.995) 1.080 5.125 ( -2.643 -0.641 5.254) 5.916 6.139 ( -3.402 0.400 8.060) 8.757 6.198 ( 0.387 -0.043 -1.819) 1.860 6.600 ( 3.204 1.349 -8.526) 9.208 6.787 ( 4.231 0.470 -6.562) 7.822 7.505 ( 0.938 -0.053 -4.122) 4.228 7.597 ( 2.231 -0.258 -9.198) 9.469 7.797 ( -5.569 -1.326 15.999) 16.993 8.912 ( -4.404 0.040 7.890) 9.036 9.111 ( -6.163 -0.715 16.392) 17.527 10.916 ( -0.818 -0.397 1.325) 1.607 11.652 ( 1.011 -0.468 0.588) 1.260 12.019 ( 5.350 0.681 -11.374) 12.588 12.481 ( -0.642 0.547 1.080) 1.370 12.733 ( 2.525 -0.561 -5.829) 6.377 13.705 ( -0.423 -0.091 2.232) 2.274 13.870 ( 0.440 0.201 -1.267) 1.356 18.720 ( 1.825 1.079 -1.974) 2.897 18.758 ( 3.385 1.001 -3.287) 4.824 19.699 ( -1.347 -0.265 5.310) 5.485 20.017 ( -2.116 -0.269 5.968) 6.338 21.713 ( 2.102 0.424 -2.531) 3.317 22.633 ( 6.676 -0.464 -21.115) 22.150 26.322 ( -1.856 -1.338 4.023) 4.628 26.666 ( -0.733 -0.767 1.265) 1.652 26.961 ( 4.605 4.466 -1.269) 6.539 27.052 ( 1.682 -2.112 -2.138) 3.444 ======================= Grid point 193 (91/205) ======================= q-point: (-0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -8.334 10.037 9.231) 15.982 1.286 ( -8.318 8.112 -3.469) 12.125 1.554 ( -1.911 -1.744 6.291) 6.802 1.873 ( -4.366 -4.130 4.227) 7.348 2.184 ( -2.599 0.300 6.133) 6.667 2.318 ( -5.386 -1.589 8.805) 10.443 2.469 ( -1.275 5.417 3.342) 6.492 2.849 ( 0.992 -3.002 0.628) 3.224 3.132 ( 0.183 3.547 0.578) 3.598 3.242 ( -1.866 -2.273 3.067) 4.250 3.587 ( -3.678 1.599 12.867) 13.478 3.963 ( -1.925 0.353 5.954) 6.267 4.164 ( 0.902 1.218 -5.976) 6.166 4.329 ( 0.905 -4.527 -3.117) 5.570 5.081 ( -0.918 -2.157 -1.516) 2.792 5.136 ( -0.801 -0.061 7.948) 7.988 6.128 ( -2.851 0.715 7.018) 7.609 6.197 ( -0.096 -0.539 -0.387) 0.670 6.591 ( 3.590 1.454 -9.010) 9.807 6.806 ( 3.178 0.632 -5.879) 6.713 7.489 ( 0.567 0.429 -4.217) 4.276 7.573 ( 1.268 -0.288 -8.019) 8.124 7.816 ( -5.184 -2.019 14.409) 15.445 8.889 ( -4.070 0.213 7.896) 8.886 9.127 ( -5.192 -1.013 16.813) 17.625 10.921 ( -0.065 -0.700 1.263) 1.446 11.677 ( 0.911 -0.627 0.661) 1.289 12.033 ( 5.373 0.924 -11.241) 12.493 12.473 ( -0.601 0.572 0.987) 1.289 12.740 ( 2.328 -0.505 -5.947) 6.406 13.712 ( -0.393 0.239 2.336) 2.381 13.868 ( 0.421 0.035 -1.407) 1.469 18.720 ( 1.744 2.774 -2.906) 4.380 18.791 ( 3.697 0.872 -3.752) 5.339 19.715 ( -1.257 -0.222 5.712) 5.853 20.044 ( -0.156 -1.415 6.942) 7.087 21.721 ( 1.378 0.531 -3.091) 3.426 22.609 ( 5.890 -0.270 -20.767) 21.587 26.320 ( -2.921 -2.178 3.874) 5.318 26.656 ( -1.447 -1.286 -0.811) 2.099 26.991 ( 2.599 4.046 -2.027) 5.219 27.081 ( 3.453 -0.079 -2.154) 4.070 ======================= Grid point 194 (92/205) ======================= q-point: (-0.33 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -15.320 12.816 -0.207) 19.975 1.042 ( -6.473 10.351 7.615) 14.389 1.659 ( 1.272 -6.388 5.125) 8.288 1.830 ( -5.059 -6.648 -1.225) 8.443 2.142 ( -7.762 5.670 13.804) 16.821 2.277 ( -6.105 2.506 8.222) 10.543 2.445 ( 0.126 2.464 3.882) 4.599 2.836 ( -1.605 0.702 -2.025) 2.677 3.148 ( 1.745 2.839 3.184) 4.609 3.289 ( 2.031 -3.627 3.136) 5.207 3.590 ( -2.944 2.930 11.209) 11.954 3.970 ( -1.779 0.237 6.603) 6.842 4.141 ( 1.022 0.276 -4.528) 4.650 4.357 ( 0.725 -3.790 -2.815) 4.776 5.065 ( -1.372 -2.215 -1.755) 3.141 5.187 ( -0.008 -1.444 6.844) 6.994 6.132 ( -1.880 -0.453 7.184) 7.440 6.191 ( -0.639 0.275 -0.014) 0.696 6.588 ( 4.058 0.697 -9.511) 10.364 6.811 ( 2.322 0.620 -5.808) 6.286 7.469 ( 1.197 0.326 -5.527) 5.665 7.549 ( 1.294 -0.097 -6.307) 6.439 7.828 ( -5.768 -2.004 13.736) 15.032 8.876 ( -3.082 0.469 7.927) 8.518 9.160 ( -4.920 -1.367 17.285) 18.024 10.937 ( 0.309 -0.855 1.317) 1.600 11.696 ( 0.303 -0.688 0.609) 0.967 12.041 ( 4.821 1.096 -10.996) 12.057 12.467 ( -0.411 0.389 0.948) 1.104 12.743 ( 2.140 -0.312 -6.082) 6.455 13.717 ( -0.567 0.678 2.543) 2.692 13.866 ( 0.497 -0.218 -1.641) 1.729 18.704 ( 1.584 3.857 -3.564) 5.485 18.810 ( 2.435 1.204 -4.725) 5.450 19.729 ( -1.657 -0.090 6.052) 6.275 20.121 ( 1.385 -3.930 7.438) 8.525 21.712 ( 0.654 0.507 -3.798) 3.887 22.576 ( 5.987 0.576 -20.224) 21.100 26.302 ( -4.240 -2.352 4.049) 6.317 26.634 ( -0.988 -2.059 -2.593) 3.455 26.948 ( -0.904 6.108 -3.220) 6.964 27.141 ( 4.283 -0.407 -2.457) 4.954 ======================= Grid point 195 (93/205) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -6.680 0.327 11.220) 13.062 1.012 ( 2.733 9.057 11.077) 14.567 1.653 ( -9.017 -7.181 2.155) 11.727 1.831 ( -0.488 -0.488 -2.240) 2.344 2.049 ( -7.423 6.280 17.335) 19.875 2.171 ( -6.914 4.822 6.130) 10.422 2.514 ( 4.485 -1.119 3.964) 6.089 2.790 ( -1.224 2.762 -1.140) 3.229 3.170 ( 0.534 2.387 3.171) 4.004 3.370 ( 1.441 -3.936 4.049) 5.828 3.598 ( -2.890 2.938 13.585) 14.196 3.979 ( -0.104 -0.647 0.959) 1.161 4.141 ( 1.198 0.305 -0.667) 1.405 4.361 ( -0.646 -1.978 -2.879) 3.552 5.051 ( -1.108 -2.929 -1.696) 3.562 5.226 ( -0.948 -0.666 5.034) 5.166 6.150 ( -1.656 -0.874 4.142) 4.545 6.177 ( -1.254 0.686 3.128) 3.439 6.601 ( 4.733 -0.847 -10.043) 11.134 6.798 ( 1.459 0.992 -6.525) 6.759 7.463 ( 2.764 -0.484 -6.282) 6.881 7.541 ( 2.305 0.157 -5.757) 6.203 7.826 ( -6.360 -1.219 14.468) 15.851 8.878 ( -2.245 0.688 7.989) 8.327 9.195 ( -5.530 -1.714 17.446) 18.381 10.956 ( 0.091 -0.743 1.462) 1.643 11.702 ( -0.538 -0.649 0.467) 0.963 12.038 ( 3.983 1.092 -10.729) 11.497 12.466 ( -0.248 0.132 0.922) 0.964 12.740 ( 2.015 -0.064 -6.176) 6.497 13.715 ( -0.857 1.008 2.709) 3.015 13.867 ( 0.591 -0.363 -1.800) 1.929 18.677 ( 1.490 4.115 -3.415) 5.552 18.791 ( 0.121 1.797 -4.496) 4.843 19.736 ( -2.272 -0.025 6.232) 6.633 20.211 ( -0.907 -5.636 6.198) 8.427 21.690 ( 0.240 0.395 -4.314) 4.338 22.560 ( 8.382 0.971 -20.139) 21.835 26.263 ( -4.759 -0.855 4.374) 6.520 26.631 ( 0.942 -2.938 -3.201) 4.446 26.854 ( -2.188 7.435 -1.321) 7.862 27.171 ( 1.013 -0.570 -4.269) 4.425 ======================= Grid point 196 (94/205) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 5.097 -12.187 15.463) 20.337 1.108 ( 7.415 7.551 7.979) 13.254 1.554 ( -8.783 -2.719 2.547) 9.540 1.702 ( -7.332 7.622 2.041) 10.771 2.071 ( -1.299 0.419 11.361) 11.443 2.111 ( -3.336 2.034 11.644) 12.282 2.605 ( 1.967 0.444 2.524) 3.231 2.750 ( 0.849 1.678 -2.972) 3.517 3.170 ( -1.391 1.311 3.839) 4.288 3.450 ( 0.911 -3.983 6.391) 7.586 3.612 ( -4.475 2.516 15.465) 16.295 3.992 ( 2.347 -1.284 -5.079) 5.740 4.167 ( 1.611 0.086 1.518) 2.215 4.332 ( -1.326 -0.999 -3.176) 3.584 5.050 ( -0.570 -3.446 -1.026) 3.641 5.229 ( -1.424 1.447 3.717) 4.235 6.142 ( -0.289 0.412 0.133) 0.521 6.176 ( -3.029 -0.172 7.011) 7.639 6.624 ( 4.470 -1.612 -10.309) 11.351 6.765 ( 0.990 1.382 -7.442) 7.634 7.488 ( 3.861 -1.005 -6.086) 7.277 7.547 ( 3.279 0.263 -6.866) 7.613 7.821 ( -6.384 -0.459 15.785) 17.034 8.891 ( -1.791 0.669 8.118) 8.340 9.213 ( -6.854 -1.300 17.426) 18.770 10.967 ( -0.467 -0.463 1.680) 1.804 11.693 ( -1.311 -0.443 0.239) 1.404 12.026 ( 3.382 0.757 -10.477) 11.036 12.468 ( -0.170 -0.050 0.978) 0.994 12.733 ( 1.949 0.179 -6.212) 6.513 13.709 ( -1.074 1.035 2.788) 3.162 13.868 ( 0.594 -0.370 -1.795) 1.926 18.660 ( 1.718 2.994 -2.148) 4.065 18.745 ( -0.756 1.766 -3.162) 3.700 19.732 ( -2.761 0.029 6.032) 6.634 20.228 ( -5.382 -3.733 5.879) 8.802 21.665 ( 0.412 0.172 -4.388) 4.411 22.587 ( 10.658 0.211 -21.655) 24.136 26.226 ( -2.560 0.776 4.540) 5.269 26.663 ( 1.727 -2.896 -2.178) 4.014 26.774 ( -1.388 4.939 1.171) 5.262 27.132 ( -1.780 0.642 -5.007) 5.353 ======================= Grid point 200 (95/205) ======================= q-point: (-0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 5.617 0.000 15.914) 16.876 1.392 ( -7.040 -0.000 2.342) 7.419 1.754 ( -7.693 -0.000 -2.027) 7.956 1.848 ( -3.130 -0.000 13.449) 13.809 2.147 ( 3.145 0.000 3.085) 4.406 2.269 ( -0.350 -0.000 -1.616) 1.653 2.585 ( -2.742 -0.000 3.843) 4.721 2.710 ( 2.028 0.000 5.359) 5.730 3.219 ( -2.735 -0.000 -0.444) 2.770 3.258 ( -4.742 -0.000 1.631) 5.015 3.587 ( -6.281 -0.000 17.382) 18.482 3.958 ( -0.583 -0.000 2.151) 2.229 4.250 ( 0.563 0.000 -9.017) 9.034 4.253 ( 0.139 0.000 -1.063) 1.072 5.077 ( -0.826 -0.000 -0.226) 0.857 5.119 ( -2.382 -0.000 7.187) 7.572 6.142 ( -3.289 -0.000 8.756) 9.353 6.198 ( 0.302 0.000 -2.778) 2.795 6.610 ( 2.901 0.000 -8.046) 8.553 6.791 ( 4.240 0.000 -6.386) 7.666 7.504 ( 1.283 0.000 -4.315) 4.502 7.594 ( 2.263 0.000 -9.697) 9.958 7.788 ( -5.825 -0.000 16.517) 17.514 8.913 ( -4.382 -0.000 7.959) 9.086 9.106 ( -6.087 -0.000 16.247) 17.350 10.913 ( -0.875 -0.000 1.306) 1.571 11.648 ( 1.013 0.000 0.570) 1.163 12.024 ( 5.376 0.000 -11.450) 12.649 12.485 ( -0.681 -0.000 1.115) 1.307 12.728 ( 2.597 0.000 -5.859) 6.409 13.704 ( -0.261 -0.000 2.102) 2.118 13.871 ( 0.342 0.000 -1.173) 1.222 18.726 ( 2.008 0.000 -1.409) 2.453 18.766 ( 3.498 0.000 -3.970) 5.291 19.697 ( -1.328 -0.000 5.330) 5.492 20.015 ( -2.290 -0.000 5.868) 6.299 21.716 ( 2.055 0.000 -2.413) 3.169 22.630 ( 6.738 0.000 -21.130) 22.178 26.313 ( -1.837 -0.000 3.905) 4.315 26.661 ( -0.884 -0.000 1.654) 1.876 27.014 ( 5.396 0.000 -4.708) 7.161 27.015 ( 1.106 0.000 0.984) 1.480 ======================= Grid point 202 (96/205) ======================= q-point: (-0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -2.746 9.283 5.745) 11.257 1.331 ( -1.246 -2.792 0.583) 3.113 1.568 ( -8.948 2.965 -0.612) 9.447 1.813 ( -9.007 -3.524 6.369) 11.581 2.197 ( -0.346 1.947 5.308) 5.665 2.263 ( -3.105 -4.327 4.599) 7.037 2.562 ( -1.142 5.178 6.283) 8.222 2.793 ( 1.689 -3.637 2.465) 4.707 3.168 ( -1.067 1.450 -0.154) 1.807 3.221 ( -2.159 -0.846 3.401) 4.117 3.606 ( -4.546 0.894 17.473) 18.077 3.969 ( 0.195 0.281 2.118) 2.146 4.189 ( 0.484 2.064 -7.939) 8.217 4.266 ( 0.703 -3.667 -2.602) 4.551 5.061 ( -0.973 -0.694 -1.141) 1.653 5.136 ( -1.787 -0.016 9.247) 9.418 6.141 ( -3.292 0.792 8.640) 9.280 6.185 ( 0.146 -0.752 -2.367) 2.488 6.606 ( 3.084 0.569 -8.265) 8.841 6.812 ( 2.760 0.224 -5.266) 5.950 7.497 ( 0.986 0.492 -3.679) 3.841 7.564 ( 1.369 -0.628 -9.739) 9.855 7.797 ( -5.356 -0.640 15.278) 16.202 8.891 ( -3.972 0.093 7.975) 8.910 9.119 ( -4.908 -0.262 16.437) 17.156 10.913 ( -0.120 -0.278 1.206) 1.243 11.670 ( 0.943 -0.243 0.621) 1.155 12.042 ( 5.446 0.355 -11.428) 12.664 12.479 ( -0.710 0.251 0.990) 1.244 12.735 ( 2.458 -0.235 -5.973) 6.463 13.715 ( -0.067 0.094 2.080) 2.083 13.868 ( 0.174 0.014 -1.179) 1.192 18.746 ( 1.614 0.870 -1.494) 2.365 18.800 ( 4.053 0.360 -5.363) 6.732 19.713 ( -1.164 -0.085 5.779) 5.896 20.029 ( -0.903 -0.527 6.634) 6.716 21.726 ( 1.234 0.198 -2.885) 3.144 22.607 ( 6.307 -0.064 -20.739) 21.676 26.302 ( -2.544 -0.546 3.634) 4.469 26.643 ( -1.921 -0.510 -0.264) 2.005 27.031 ( 1.241 1.545 -0.125) 1.985 27.078 ( 5.034 -0.290 -4.322) 6.641 ======================= Grid point 203 (97/205) ======================= q-point: (-0.44 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -12.346 13.189 -6.273) 19.124 1.209 ( -2.213 10.894 1.513) 11.219 1.565 ( -1.433 -6.065 6.453) 8.971 1.724 ( -6.310 -7.933 -0.585) 10.153 2.191 ( -4.692 2.042 9.788) 11.045 2.261 ( -4.595 -3.099 7.176) 9.067 2.545 ( -0.507 8.990 7.501) 11.719 2.814 ( -1.792 -3.463 -1.703) 4.255 3.181 ( 1.519 1.657 3.495) 4.155 3.244 ( 0.868 -2.469 3.945) 4.735 3.630 ( -3.897 2.356 15.507) 16.162 3.981 ( 0.115 0.945 1.899) 2.125 4.147 ( 1.179 0.744 -6.182) 6.337 4.297 ( 1.382 -4.204 -2.730) 5.199 5.039 ( -1.149 -1.249 -2.057) 2.667 5.173 ( -1.473 -0.617 9.819) 9.948 6.133 ( -2.875 0.665 7.829) 8.367 6.184 ( -0.047 -1.058 -0.837) 1.350 6.600 ( 3.226 0.845 -8.675) 9.294 6.815 ( 1.654 0.086 -4.762) 5.042 7.481 ( 1.329 1.328 -5.478) 5.791 7.536 ( 1.246 -1.473 -7.411) 7.658 7.807 ( -5.300 -0.933 14.268) 15.249 8.882 ( -2.903 0.332 7.946) 8.467 9.147 ( -4.657 -0.460 16.786) 17.426 10.927 ( 0.352 -0.565 1.239) 1.406 11.688 ( 0.360 -0.437 0.535) 0.779 12.054 ( 4.953 0.695 -11.275) 12.334 12.472 ( -0.571 0.300 0.900) 1.107 12.738 ( 2.261 -0.286 -6.080) 6.493 13.725 ( -0.169 0.452 2.258) 2.309 13.863 ( 0.201 -0.162 -1.320) 1.345 18.746 ( 1.084 2.095 -2.279) 3.280 18.822 ( 3.070 0.421 -6.209) 6.939 19.729 ( -1.520 -0.003 6.068) 6.255 20.077 ( -0.010 -2.146 7.520) 7.820 21.718 ( 0.448 0.282 -3.554) 3.593 22.583 ( 6.662 0.424 -20.336) 21.403 26.283 ( -2.920 -0.580 3.725) 4.768 26.609 ( -1.698 -1.348 -2.077) 3.002 27.015 ( -0.655 3.344 -1.532) 3.736 27.133 ( 4.052 -0.707 -4.097) 5.806 ======================= Grid point 204 (98/205) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -10.457 11.944 -0.179) 15.876 1.181 ( 5.544 12.960 4.781) 14.885 1.533 ( -9.741 -8.537 2.942) 13.282 1.776 ( 4.168 -6.471 -1.347) 7.814 2.132 ( -7.656 4.229 12.345) 15.129 2.223 ( -6.042 1.518 5.116) 8.061 2.538 ( 1.813 5.144 6.239) 8.287 2.795 ( -1.817 -1.891 -0.461) 2.662 3.209 ( 0.501 2.670 4.073) 4.896 3.313 ( 0.888 -3.836 4.431) 5.928 3.641 ( -3.841 2.901 15.093) 15.842 3.981 ( 0.310 0.614 -0.945) 1.169 4.142 ( 1.799 0.184 -2.505) 3.090 4.323 ( 0.326 -3.213 -2.880) 4.327 5.019 ( -0.728 -1.594 -2.189) 2.804 5.211 ( -1.829 -1.174 8.477) 8.751 6.136 ( -3.262 -0.611 8.652) 9.267 6.185 ( 0.473 0.045 -1.131) 1.227 6.596 ( 3.584 0.212 -9.052) 9.738 6.806 ( 1.085 0.122 -5.376) 5.486 7.464 ( 2.750 0.638 -7.249) 7.779 7.533 ( 1.875 -1.163 -5.286) 5.728 7.813 ( -5.454 -0.644 14.241) 15.263 8.888 ( -2.070 0.628 7.924) 8.214 9.177 ( -5.244 -0.795 17.149) 17.951 10.945 ( 0.270 -0.670 1.362) 1.541 11.694 ( -0.434 -0.542 0.396) 0.799 12.053 ( 4.052 0.946 -11.107) 11.861 12.468 ( -0.398 0.165 0.852) 0.954 12.738 ( 2.135 -0.192 -6.110) 6.475 13.730 ( -0.538 0.923 2.515) 2.733 13.861 ( 0.383 -0.376 -1.535) 1.626 18.726 ( 0.771 2.774 -2.933) 4.110 18.812 ( 0.907 1.028 -5.947) 6.103 19.736 ( -2.165 0.100 6.192) 6.560 20.142 ( -1.097 -3.925 7.511) 8.545 21.695 ( 0.031 0.279 -4.117) 4.127 22.574 ( 8.229 0.869 -20.239) 21.866 26.260 ( -2.805 0.323 4.113) 4.989 26.591 ( 0.121 -2.549 -3.142) 4.047 26.945 ( -2.591 5.215 -1.452) 6.001 27.160 ( 1.419 -1.002 -4.461) 4.787 ======================= Grid point 205 (99/205) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 2.931 -1.655 14.176) 14.570 1.245 ( 8.347 9.982 2.131) 13.185 1.463 ( -7.064 -6.844 4.099) 10.656 1.824 ( -1.063 5.680 -1.264) 5.916 2.055 ( -4.851 -0.154 8.725) 9.984 2.166 ( -2.858 3.682 10.987) 11.935 2.598 ( 2.416 -0.605 2.873) 3.802 2.765 ( -2.354 -0.134 -0.577) 2.427 3.200 ( -2.032 2.749 3.725) 5.056 3.391 ( 1.210 -4.111 6.709) 7.961 3.648 ( -4.929 2.495 15.659) 16.604 3.980 ( 1.919 -0.380 -4.386) 4.802 4.166 ( 1.855 -0.083 -0.192) 1.867 4.313 ( -1.186 -1.799 -3.025) 3.714 5.014 ( 0.153 -1.762 -1.435) 2.278 5.232 ( -2.007 -0.756 6.257) 6.615 6.137 ( -3.318 -0.737 7.752) 8.465 6.185 ( 0.395 1.018 -0.143) 1.102 6.604 ( 3.872 -1.099 -9.598) 10.408 6.780 ( 0.712 0.672 -6.641) 6.713 7.478 ( 4.216 -0.300 -6.894) 8.086 7.543 ( 2.581 -0.744 -5.794) 6.386 7.816 ( -5.607 -0.190 15.154) 16.160 8.902 ( -1.757 0.793 7.995) 8.224 9.196 ( -6.316 -0.945 17.305) 18.445 10.960 ( -0.227 -0.547 1.550) 1.659 11.686 ( -1.110 -0.469 0.244) 1.229 12.038 ( 3.260 0.873 -10.940) 11.449 12.467 ( -0.281 -0.041 0.874) 0.919 12.735 ( 2.087 0.058 -6.082) 6.430 13.726 ( -0.944 1.245 2.697) 3.117 13.862 ( 0.506 -0.479 -1.661) 1.801 18.701 ( 0.783 2.633 -2.835) 3.948 18.771 ( -0.451 1.610 -4.273) 4.588 19.733 ( -2.669 0.145 6.043) 6.608 20.174 ( -3.972 -3.650 7.014) 8.849 21.668 ( 0.199 0.174 -4.320) 4.328 22.592 ( 9.905 0.458 -21.019) 23.240 26.242 ( -1.583 1.424 4.359) 4.852 26.612 ( 2.025 -3.743 -3.049) 5.235 26.850 ( -3.545 5.160 0.227) 6.265 27.138 ( -0.687 0.218 -4.552) 4.608 ======================= Grid point 206 (100/205) ======================= q-point: (-0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 2.268 -6.500 12.085) 13.908 1.303 ( 2.555 1.860 -0.658) 3.228 1.468 ( 2.114 2.831 7.148) 7.974 1.704 ( -3.746 8.773 4.999) 10.770 2.080 ( -1.781 -2.966 7.330) 8.106 2.202 ( 1.263 4.869 10.636) 11.765 2.624 ( -2.048 0.136 3.549) 4.100 2.727 ( -1.233 -2.080 -3.055) 3.897 3.171 ( -2.567 0.634 4.887) 5.556 3.483 ( 1.155 -2.968 6.205) 6.975 3.635 ( -6.234 1.977 15.425) 16.754 3.996 ( 3.107 -0.888 -5.835) 6.670 4.189 ( -0.198 -0.638 1.016) 1.216 4.292 ( 0.609 -1.379 -3.646) 3.946 5.029 ( 0.611 -1.774 -0.382) 1.915 5.233 ( -1.942 0.428 4.086) 4.544 6.138 ( -2.531 -0.473 7.156) 7.606 6.181 ( 0.109 1.307 0.315) 1.349 6.614 ( 3.359 -1.723 -9.878) 10.575 6.743 ( 1.203 0.962 -7.607) 7.761 7.509 ( 3.368 -0.328 -5.495) 6.453 7.560 ( 4.168 -0.563 -7.963) 9.006 7.817 ( -6.152 0.227 16.242) 17.370 8.918 ( -1.747 0.676 8.043) 8.258 9.196 ( -7.322 -0.622 17.195) 18.700 10.964 ( -0.860 -0.308 1.737) 1.963 11.668 ( -1.401 -0.175 0.094) 1.416 12.016 ( 3.037 0.392 -10.791) 11.217 12.470 ( -0.210 -0.247 0.987) 1.039 12.730 ( 2.118 0.387 -6.025) 6.398 13.716 ( -1.178 1.233 2.766) 3.250 13.863 ( 0.522 -0.468 -1.640) 1.784 18.685 ( 0.991 1.487 -2.085) 2.746 18.730 ( -0.276 1.528 -2.841) 3.238 19.722 ( -2.834 0.207 5.605) 6.284 20.154 ( -5.707 -2.018 6.777) 9.086 21.649 ( 0.861 -0.040 -4.065) 4.156 22.624 ( 10.044 0.017 -21.968) 24.155 26.245 ( -0.057 1.681 4.393) 4.704 26.661 ( 1.963 -2.773 -1.687) 3.793 26.774 ( -2.528 1.573 1.371) 3.278 27.089 ( -0.612 2.107 -4.092) 4.643 ======================= Grid point 211 (101/205) ======================= q-point: (-0.56 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -10.723 -0.000 -13.275) 17.065 1.282 ( -0.816 -0.000 4.426) 4.501 1.530 ( 0.714 0.000 4.758) 4.812 1.642 ( -10.202 -0.000 1.938) 10.385 2.213 ( -5.610 -0.000 9.393) 10.940 2.226 ( -2.395 -0.000 6.427) 6.858 2.631 ( 0.650 0.000 8.554) 8.579 2.771 ( -2.695 -0.000 -1.931) 3.315 3.193 ( 1.909 0.000 3.537) 4.019 3.225 ( -0.284 -0.000 4.508) 4.517 3.648 ( -4.396 -0.000 17.403) 17.949 3.989 ( 1.044 0.000 -0.497) 1.156 4.157 ( 1.469 0.000 -7.932) 8.067 4.259 ( 1.351 0.000 -1.365) 1.920 5.030 ( -1.066 -0.000 -2.020) 2.284 5.169 ( -2.060 -0.000 10.733) 10.929 6.142 ( -4.167 -0.000 10.215) 11.032 6.172 ( 1.062 0.000 -3.271) 3.439 6.607 ( 3.059 0.000 -8.431) 8.969 6.815 ( 1.283 0.000 -4.291) 4.478 7.498 ( 1.233 0.000 -2.763) 3.025 7.518 ( 1.447 0.000 -10.550) 10.649 7.801 ( -5.147 -0.000 14.475) 15.363 8.885 ( -2.834 -0.000 7.950) 8.440 9.144 ( -4.554 -0.000 16.577) 17.191 10.923 ( 0.366 0.000 1.209) 1.264 11.684 ( 0.383 0.000 0.507) 0.635 12.059 ( 5.009 0.000 -11.386) 12.439 12.475 ( -0.639 -0.000 0.882) 1.090 12.736 ( 2.312 0.000 -6.079) 6.504 13.728 ( 0.001 0.000 2.134) 2.134 13.862 ( 0.070 0.000 -1.183) 1.185 18.761 ( 0.834 0.000 -1.396) 1.626 18.824 ( 3.304 0.000 -7.037) 7.774 19.729 ( -1.461 -0.000 6.104) 6.276 20.061 ( -0.431 -0.000 7.452) 7.464 21.720 ( 0.368 0.000 -3.459) 3.479 22.587 ( 6.902 0.000 -20.395) 21.531 26.280 ( -2.451 -0.000 3.530) 4.298 26.599 ( -1.980 -0.000 -1.881) 2.731 27.040 ( -0.752 -0.000 -0.067) 0.755 27.126 ( 4.145 0.000 -5.460) 6.855 ======================= Grid point 213 (102/205) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -9.740 9.030 -7.980) 15.495 1.285 ( -2.661 -1.013 3.347) 4.394 1.502 ( -1.166 7.851 2.748) 8.400 1.655 ( 4.169 -10.466 -0.032) 11.266 2.171 ( -6.321 1.475 10.679) 12.497 2.219 ( -3.427 -1.046 4.197) 5.519 2.640 ( -1.409 8.007 5.153) 9.625 2.741 ( -2.150 -5.639 1.424) 6.201 3.239 ( 0.573 1.501 4.650) 4.920 3.269 ( 0.525 -2.101 5.523) 5.932 3.673 ( -4.734 1.255 16.165) 16.891 3.989 ( 0.874 0.384 -3.571) 3.696 4.150 ( 2.535 0.789 -4.104) 4.887 4.280 ( 0.745 -2.228 -1.638) 2.863 5.004 ( -0.469 -0.515 -2.389) 2.488 5.198 ( -2.691 -0.523 10.442) 10.796 6.134 ( -4.365 0.121 10.369) 11.251 6.180 ( 1.745 -0.432 -2.696) 3.241 6.602 ( 2.954 0.354 -8.612) 9.112 6.805 ( 0.726 -0.167 -4.511) 4.573 7.480 ( 2.756 1.296 -8.863) 9.371 7.512 ( 1.668 -1.538 -3.976) 4.578 7.807 ( -4.964 -0.170 14.068) 14.919 8.895 ( -1.965 0.253 7.897) 8.141 9.170 ( -5.119 -0.197 16.835) 17.597 10.938 ( 0.387 -0.268 1.301) 1.383 11.688 ( -0.363 -0.208 0.352) 0.547 12.063 ( 4.111 0.373 -11.354) 12.082 12.470 ( -0.511 0.075 0.796) 0.949 12.735 ( 2.215 -0.103 -6.057) 6.450 13.739 ( -0.295 0.386 2.375) 2.424 13.857 ( 0.220 -0.174 -1.348) 1.377 18.755 ( 0.221 1.133 -1.927) 2.246 18.819 ( 1.435 0.117 -7.050) 7.196 19.738 ( -2.097 0.074 6.181) 6.527 20.103 ( -1.170 -1.374 7.862) 8.066 21.698 ( -0.085 0.100 -3.989) 3.991 22.583 ( 8.182 0.345 -20.323) 21.911 26.266 ( -1.854 0.308 3.883) 4.314 26.564 ( -0.412 -1.023 -3.139) 3.327 26.998 ( -3.106 2.031 -0.546) 3.752 27.147 ( 2.035 -0.650 -5.202) 5.623 ======================= Grid point 214 (103/205) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.681 8.661 7.594) 11.539 1.258 ( -4.789 -7.909 -0.974) 9.297 1.496 ( 5.392 11.325 5.092) 13.537 1.816 ( 6.580 -5.926 -0.149) 8.857 2.096 ( -7.302 4.883 6.096) 10.692 2.192 ( -2.333 -0.287 6.461) 6.875 2.606 ( -0.721 1.953 2.825) 3.509 2.745 ( -3.218 -2.376 2.950) 4.970 3.237 ( -2.554 2.115 3.577) 4.877 3.341 ( 1.482 -2.661 7.570) 8.159 3.678 ( -5.351 1.631 15.528) 16.505 3.978 ( 1.606 0.078 -5.079) 5.328 4.170 ( 2.467 0.797 -1.671) 3.085 4.282 ( -0.998 -2.300 -2.128) 3.289 4.997 ( 0.748 -0.762 -1.918) 2.195 5.217 ( -2.847 -1.057 8.602) 9.122 6.129 ( -4.019 -0.264 10.367) 11.122 6.196 ( 1.792 0.385 -2.339) 2.971 6.595 ( 2.997 -0.209 -8.972) 9.462 6.784 ( 0.535 -0.051 -5.841) 5.866 7.480 ( 4.430 0.536 -8.134) 9.278 7.528 ( 2.044 -1.292 -4.275) 4.911 7.815 ( -4.965 0.021 14.491) 15.318 8.912 ( -1.729 0.535 7.916) 8.120 9.186 ( -6.019 -0.406 17.022) 18.060 10.953 ( -0.019 -0.366 1.432) 1.479 11.681 ( -0.940 -0.290 0.246) 1.014 12.049 ( 3.171 0.582 -11.343) 11.792 12.467 ( -0.402 -0.024 0.764) 0.863 12.735 ( 2.220 -0.027 -5.930) 6.332 13.742 ( -0.803 0.892 2.651) 2.910 13.855 ( 0.424 -0.389 -1.575) 1.677 18.732 ( 0.109 1.773 -2.475) 3.047 18.786 ( -0.176 0.494 -5.424) 5.450 19.736 ( -2.602 0.167 6.021) 6.561 20.131 ( -3.029 -2.136 7.592) 8.448 21.670 ( 0.046 0.107 -4.250) 4.251 22.598 ( 9.384 0.380 -20.696) 22.727 26.263 ( -0.951 1.268 4.417) 4.693 26.566 ( 1.660 -2.564 -3.657) 4.765 26.910 ( -4.745 3.043 -0.036) 5.637 27.139 ( 0.451 -0.099 -4.459) 4.482 ======================= Grid point 215 (104/205) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 4.180 2.880 14.425) 15.292 1.246 ( -1.981 -8.012 -0.422) 8.264 1.569 ( 7.449 9.552 6.006) 13.520 1.846 ( -3.503 9.556 0.310) 10.182 2.028 ( -2.192 -3.681 7.164) 8.348 2.249 ( 3.968 1.044 6.119) 7.367 2.608 ( -2.256 -1.904 3.493) 4.573 2.703 ( -4.149 -1.319 0.466) 4.378 3.187 ( -4.061 1.388 3.980) 5.853 3.442 ( 2.075 -2.679 7.132) 7.896 3.663 ( -6.554 1.786 14.995) 16.462 3.984 ( 2.879 -0.662 -5.531) 6.271 4.187 ( 0.044 0.501 -0.088) 0.510 4.268 ( 0.264 -2.036 -2.913) 3.563 5.013 ( 1.431 -0.604 -0.866) 1.778 5.226 ( -2.585 -1.146 5.958) 6.595 6.134 ( -3.242 -0.138 9.839) 10.360 6.201 ( 1.078 1.306 -1.802) 2.473 6.592 ( 2.935 -1.285 -9.579) 10.101 6.752 ( 0.873 0.300 -7.176) 7.235 7.507 ( 3.729 0.135 -5.565) 6.700 7.547 ( 3.687 -1.118 -6.885) 7.890 7.822 ( -5.359 0.401 15.389) 16.301 8.928 ( -1.855 0.622 7.932) 8.170 9.189 ( -6.837 -0.365 16.995) 18.322 10.960 ( -0.622 -0.299 1.572) 1.717 11.666 ( -1.137 -0.137 0.182) 1.160 12.022 ( 2.747 0.375 -11.278) 11.614 12.467 ( -0.330 -0.230 0.818) 0.912 12.735 ( 2.280 0.256 -5.800) 6.237 13.734 ( -1.231 1.209 2.817) 3.303 13.856 ( 0.517 -0.509 -1.681) 1.831 18.707 ( 0.284 1.590 -2.480) 2.960 18.746 ( -0.563 0.654 -3.516) 3.621 19.726 ( -2.756 0.252 5.632) 6.275 20.126 ( -4.650 -1.693 7.050) 8.613 21.648 ( 0.706 -0.018 -4.114) 4.175 22.625 ( 9.686 0.142 -21.288) 23.388 26.273 ( 0.061 2.009 4.734) 5.143 26.607 ( 2.902 -3.980 -3.318) 5.939 26.809 ( -4.978 2.599 1.195) 5.741 27.114 ( 0.335 1.349 -3.535) 3.799 ======================= Grid point 216 (105/205) ======================= q-point: (-0.11 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -2.545 2.220 8.772) 9.400 1.323 ( 3.455 -3.621 6.235) 7.995 1.657 ( 3.911 7.266 6.748) 10.659 1.731 ( -1.641 5.922 4.345) 7.526 2.066 ( -3.025 -3.499 7.206) 8.562 2.336 ( 4.299 5.446 2.869) 7.508 2.591 ( -4.180 -2.459 4.521) 6.630 2.664 ( -1.579 -2.446 0.423) 2.942 3.151 ( -3.186 -1.410 4.729) 5.874 3.510 ( -0.649 -1.083 4.293) 4.475 3.631 ( -6.407 1.169 13.671) 15.143 4.009 ( 3.156 -0.411 -4.616) 5.607 4.163 ( -2.380 -0.821 0.817) 2.647 4.293 ( 2.860 -1.507 -3.095) 4.476 5.036 ( 1.073 -0.292 0.161) 1.124 5.220 ( -2.424 -0.579 3.517) 4.310 6.145 ( -2.821 0.044 9.432) 9.845 6.194 ( 0.622 1.285 -1.643) 2.177 6.589 ( 2.634 -1.921 -9.955) 10.475 6.727 ( 2.244 0.312 -7.730) 8.056 7.523 ( 1.934 0.196 -3.808) 4.275 7.579 ( 5.035 -0.759 -9.117) 10.443 7.822 ( -5.982 0.983 16.134) 17.236 8.940 ( -2.262 0.463 7.841) 8.173 9.178 ( -7.380 0.050 16.789) 18.339 10.956 ( -1.193 -0.126 1.684) 2.067 11.649 ( -0.879 0.204 0.158) 0.916 11.998 ( 3.097 -0.199 -11.166) 11.589 12.469 ( -0.306 -0.470 0.936) 1.091 12.734 ( 2.354 0.618 -5.719) 6.216 13.721 ( -1.390 1.172 2.852) 3.382 13.858 ( 0.568 -0.538 -1.643) 1.820 18.691 ( 0.552 0.640 -2.154) 2.314 18.717 ( -0.132 0.424 -2.452) 2.492 19.713 ( -2.595 0.348 5.178) 5.802 20.095 ( -5.080 -0.937 6.473) 8.281 21.644 ( 1.594 -0.233 -3.625) 3.966 22.647 ( 9.204 0.144 -21.589) 23.470 26.294 ( 0.589 2.255 4.855) 5.385 26.668 ( 2.839 -3.270 -2.270) 4.889 26.734 ( -3.522 -0.231 1.925) 4.020 27.091 ( 1.046 2.677 -2.661) 3.917 ======================= Grid point 222 (106/205) ======================= q-point: ( 0.56 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.539 0.000 3.524) 3.565 1.175 ( -7.167 -0.000 1.444) 7.311 1.637 ( 3.622 0.000 1.082) 3.780 1.718 ( 10.469 0.000 2.792) 10.835 2.159 ( -2.680 -0.000 9.005) 9.395 2.163 ( -5.082 -0.000 0.684) 5.128 2.631 ( -3.050 -0.000 -0.844) 3.164 2.719 ( -2.939 -0.000 7.470) 8.028 3.253 ( -2.748 -0.000 3.606) 4.533 3.321 ( 1.618 0.000 8.034) 8.195 3.691 ( -5.536 -0.000 15.448) 16.410 3.979 ( 1.525 0.000 -5.565) 5.771 4.180 ( 3.007 0.000 -2.846) 4.140 4.261 ( -1.150 -0.000 -1.081) 1.578 4.992 ( 0.995 0.000 -2.162) 2.380 5.209 ( -3.274 -0.000 9.585) 10.129 6.128 ( -4.288 -0.000 11.208) 12.000 6.198 ( 2.416 0.000 -3.019) 3.867 6.594 ( 2.561 0.000 -8.738) 9.106 6.783 ( 0.497 0.000 -5.502) 5.524 7.487 ( 5.010 0.000 -10.209) 11.372 7.515 ( 1.331 0.000 -2.098) 2.485 7.815 ( -4.725 -0.000 14.227) 14.991 8.916 ( -1.719 -0.000 7.892) 8.077 9.184 ( -5.931 -0.000 16.888) 17.899 10.950 ( 0.062 0.000 1.386) 1.387 11.678 ( -0.873 -0.000 0.247) 0.908 12.053 ( 3.139 0.000 -11.502) 11.923 12.467 ( -0.455 -0.000 0.718) 0.850 12.735 ( 2.274 0.000 -5.865) 6.290 13.748 ( -0.739 -0.000 2.648) 2.750 13.852 ( 0.388 0.000 -1.556) 1.604 18.746 ( -0.200 -0.000 -1.936) 1.946 18.788 ( 0.000 0.000 -6.139) 6.139 19.737 ( -2.580 -0.000 6.004) 6.535 20.116 ( -2.709 -0.000 7.746) 8.206 21.670 ( -0.008 -0.000 -4.221) 4.221 22.601 ( 9.206 0.000 -20.608) 22.571 26.273 ( -0.718 -0.000 4.544) 4.601 26.546 ( 1.463 0.000 -3.963) 4.224 26.932 ( -5.263 -0.000 0.028) 5.263 27.138 ( 1.011 0.000 -4.526) 4.638 ======================= Grid point 224 (107/205) ======================= q-point: (-0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 5.796 7.897 13.491) 16.672 1.115 ( -2.971 -8.842 0.528) 9.343 1.695 ( 6.009 6.651 2.982) 9.447 1.899 ( 4.048 -2.312 4.606) 6.554 2.033 ( -7.612 4.285 0.881) 8.779 2.232 ( 5.013 -2.401 3.964) 6.827 2.587 ( -2.737 -0.782 1.912) 3.429 2.690 ( -5.273 -0.498 4.637) 7.039 3.204 ( -4.950 0.759 3.347) 6.024 3.413 ( 2.346 -1.149 7.936) 8.355 3.682 ( -6.516 0.752 14.492) 15.907 3.978 ( 2.507 -0.224 -5.321) 5.886 4.204 ( 0.839 1.766 -1.401) 2.405 4.236 ( -0.300 -2.342 -1.906) 3.035 5.008 ( 2.148 -0.127 -1.542) 2.647 5.211 ( -3.280 -0.712 7.510) 8.226 6.134 ( -3.504 0.049 11.225) 11.759 6.214 ( 1.744 0.507 -2.755) 3.300 6.580 ( 2.372 -0.437 -9.312) 9.620 6.753 ( 0.780 -0.013 -6.872) 6.916 7.514 ( 4.205 0.810 -6.515) 7.796 7.530 ( 3.099 -1.241 -5.302) 6.266 7.827 ( -4.834 0.200 14.788) 15.560 8.934 ( -1.939 0.252 7.872) 8.111 9.186 ( -6.549 -0.103 16.831) 18.060 10.956 ( -0.475 -0.125 1.460) 1.541 11.664 ( -0.969 -0.050 0.241) 0.999 12.026 ( 2.560 0.156 -11.596) 11.876 12.464 ( -0.409 -0.095 0.707) 0.823 12.738 ( 2.388 0.081 -5.640) 6.125 13.747 ( -1.281 0.532 2.923) 3.236 13.850 ( 0.537 -0.251 -1.784) 1.879 18.727 ( -0.108 0.993 -2.248) 2.460 18.749 ( -0.735 -0.199 -4.240) 4.308 19.729 ( -2.713 0.118 5.623) 6.244 20.109 ( -4.028 -0.650 7.188) 8.265 21.648 ( 0.609 -0.003 -4.138) 4.182 22.627 ( 9.455 0.082 -20.946) 22.981 26.296 ( 0.168 1.043 5.337) 5.440 26.563 ( 2.730 -1.807 -4.242) 5.358 26.836 ( -5.699 1.021 0.860) 5.853 27.127 ( 0.897 0.459 -3.311) 3.461 ======================= Grid point 225 (108/205) ======================= q-point: (-0.22 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.534 6.493 6.911) 9.498 1.249 ( 5.739 -6.631 10.137) 13.404 1.763 ( 0.360 7.450 5.285) 9.141 1.834 ( -2.084 7.192 1.314) 7.602 2.006 ( -2.686 -4.788 6.286) 8.346 2.364 ( 5.009 -1.490 1.172) 5.356 2.569 ( -3.222 0.106 4.610) 5.625 2.635 ( -2.586 -1.797 2.067) 3.766 3.139 ( -4.974 -0.401 4.186) 6.513 3.493 ( 0.648 -1.081 5.205) 5.355 3.648 ( -6.831 1.050 12.941) 14.671 4.002 ( 3.717 -0.486 -4.541) 5.888 4.163 ( -3.114 0.544 0.774) 3.254 4.269 ( 3.136 -1.609 -2.638) 4.402 5.038 ( 2.099 0.366 -0.687) 2.238 5.204 ( -3.087 -1.402 4.799) 5.876 6.148 ( -3.057 0.304 10.782) 11.211 6.212 ( 0.629 1.101 -2.297) 2.624 6.564 ( 2.394 -1.344 -10.140) 10.505 6.729 ( 1.938 0.003 -7.557) 7.801 7.527 ( 1.518 0.343 -2.476) 2.925 7.567 ( 5.300 -0.884 -9.169) 10.627 7.835 ( -5.136 0.753 15.230) 16.090 8.945 ( -2.430 0.296 7.726) 8.105 9.179 ( -6.850 0.143 16.711) 18.061 10.954 ( -1.005 -0.114 1.541) 1.844 11.652 ( -0.659 0.144 0.282) 0.731 11.996 ( 2.780 -0.115 -11.527) 11.858 12.464 ( -0.384 -0.307 0.779) 0.922 12.742 ( 2.455 0.352 -5.515) 6.047 13.736 ( -1.624 0.872 3.057) 3.570 13.851 ( 0.637 -0.439 -1.846) 2.001 18.701 ( -0.322 0.646 -2.735) 2.828 18.720 ( -0.276 -0.060 -2.362) 2.379 19.717 ( -2.550 0.253 5.206) 5.803 20.084 ( -4.572 -0.613 6.493) 7.965 21.641 ( 1.500 -0.136 -3.753) 4.044 22.649 ( 9.147 0.120 -21.152) 23.046 26.328 ( 0.796 2.287 5.693) 6.186 26.605 ( 2.792 -4.087 -3.788) 6.233 26.750 ( -4.330 1.292 1.917) 4.909 27.120 ( 1.196 1.382 -2.358) 2.983 ======================= Grid point 226 (109/205) ======================= q-point: (-0.11 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -0.606 5.897 8.438) 10.312 1.434 ( 3.763 0.382 9.716) 10.426 1.644 ( -7.493 -1.330 4.687) 8.938 1.877 ( 2.857 7.913 7.236) 11.097 2.023 ( -2.490 -4.545 5.658) 7.673 2.395 ( -1.891 -0.637 0.225) 2.008 2.522 ( -4.300 -0.529 3.771) 5.744 2.693 ( 4.450 -0.649 2.906) 5.354 3.106 ( -3.846 -2.910 5.104) 7.022 3.498 ( -2.934 1.140 1.956) 3.705 3.611 ( -5.692 0.329 10.588) 12.026 4.038 ( 2.429 0.882 -2.645) 3.698 4.122 ( -2.202 -1.324 1.803) 3.139 4.317 ( 3.051 -1.085 -2.303) 3.974 5.059 ( 1.239 1.028 0.325) 1.642 5.189 ( -2.669 -1.509 2.402) 3.895 6.159 ( -3.293 0.522 10.148) 10.682 6.196 ( 0.200 0.829 -1.986) 2.162 6.553 ( 2.767 -2.075 -10.641) 11.189 6.727 ( 3.402 -0.208 -7.502) 8.240 7.530 ( 0.905 0.400 -2.214) 2.425 7.595 ( 4.289 -0.767 -9.410) 10.370 7.836 ( -5.238 1.570 15.239) 16.191 8.945 ( -3.142 0.139 7.546) 8.175 9.165 ( -6.966 0.829 16.625) 18.044 10.945 ( -1.280 0.034 1.589) 2.040 11.645 ( -0.056 0.470 0.360) 0.594 11.980 ( 3.676 -0.648 -11.340) 11.939 12.465 ( -0.399 -0.545 0.886) 1.114 12.744 ( 2.438 0.652 -5.512) 6.062 13.721 ( -1.622 0.847 3.031) 3.540 13.855 ( 0.738 -0.515 -1.768) 1.984 18.678 ( -0.373 -0.936 -2.606) 2.794 18.709 ( 0.664 0.324 -1.707) 1.860 19.707 ( -2.218 0.375 4.963) 5.449 20.051 ( -4.241 -0.387 5.934) 7.304 21.653 ( 2.254 -0.355 -3.244) 3.966 22.663 ( 8.573 0.343 -21.207) 22.877 26.357 ( 0.740 3.373 5.395) 6.406 26.663 ( 2.050 -6.039 -2.916) 7.013 26.706 ( -1.380 1.128 2.867) 3.376 27.114 ( 1.079 2.056 -1.945) 3.029 ======================= Grid point 233 (110/205) ======================= q-point: ( 0.67 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -1.306 -0.000 -0.557) 1.420 1.177 ( 7.813 0.000 17.801) 19.440 1.832 ( 2.586 0.000 4.627) 5.301 1.902 ( -6.179 -0.000 -1.413) 6.339 1.950 ( -2.121 -0.000 7.023) 7.336 2.340 ( 3.988 0.000 2.142) 4.526 2.578 ( 2.018 0.000 2.070) 2.891 2.618 ( -6.326 -0.000 4.279) 7.637 3.137 ( -5.689 -0.000 4.002) 6.956 3.485 ( 1.155 0.000 5.542) 5.661 3.656 ( -6.938 -0.000 12.607) 14.390 3.998 ( 3.763 0.000 -4.352) 5.753 4.169 ( -3.539 -0.000 0.756) 3.619 4.256 ( 3.545 0.000 -2.573) 4.381 5.041 ( 2.750 0.000 -1.349) 3.063 5.192 ( -3.601 -0.000 5.593) 6.652 6.151 ( -3.195 -0.000 11.462) 11.899 6.220 ( 0.721 0.000 -2.640) 2.736 6.554 ( 2.252 0.000 -10.226) 10.471 6.729 ( 1.835 0.000 -7.469) 7.691 7.530 ( 0.953 0.000 -1.394) 1.689 7.559 ( 5.805 0.000 -9.786) 11.378 7.841 ( -4.805 -0.000 14.876) 15.633 8.947 ( -2.507 -0.000 7.684) 8.082 9.180 ( -6.626 -0.000 16.676) 17.944 10.953 ( -0.935 -0.000 1.484) 1.754 11.653 ( -0.572 -0.000 0.334) 0.662 11.995 ( 2.651 0.000 -11.672) 11.970 12.461 ( -0.411 -0.000 0.721) 0.830 12.744 ( 2.492 0.000 -5.433) 5.978 13.743 ( -1.743 -0.000 3.188) 3.633 13.848 ( 0.691 0.000 -1.977) 2.094 18.707 ( -1.139 -0.000 -3.412) 3.597 18.718 ( 0.151 0.000 -1.849) 1.856 19.719 ( -2.535 -0.000 5.210) 5.794 20.079 ( -4.377 -0.000 6.500) 7.837 21.640 ( 1.461 0.000 -3.798) 4.070 22.650 ( 9.120 0.000 -20.999) 22.894 26.347 ( 0.971 0.000 6.455) 6.527 26.573 ( 2.403 0.000 -4.491) 5.093 26.760 ( -4.348 -0.000 1.640) 4.647 27.130 ( 1.247 0.000 -2.269) 2.589 ======================= Grid point 235 (111/205) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.125 3.961 3.405) 5.343 1.408 ( 5.523 -2.665 14.833) 16.050 1.683 ( -11.242 4.483 2.115) 12.286 1.927 ( -5.574 -2.778 5.010) 7.993 1.986 ( 5.676 1.822 6.024) 8.475 2.357 ( -4.318 -2.447 4.083) 6.427 2.535 ( -5.221 0.978 3.093) 6.146 2.680 ( 6.556 -0.761 1.220) 6.712 3.080 ( -4.701 -0.819 5.393) 7.201 3.509 ( -1.269 0.416 2.304) 2.663 3.616 ( -5.874 0.208 9.425) 11.107 4.044 ( 4.400 0.101 -3.898) 5.879 4.115 ( -4.336 0.010 3.692) 5.695 4.303 ( 3.405 -0.632 -1.814) 3.910 5.076 ( 2.499 0.969 -0.916) 2.832 5.164 ( -3.360 -1.357 3.255) 4.871 6.166 ( -3.504 0.325 11.126) 11.669 6.207 ( -0.094 0.483 -2.261) 2.314 6.531 ( 2.800 -0.901 -11.227) 11.606 6.724 ( 3.113 -0.148 -7.316) 7.952 7.535 ( 0.475 0.225 -0.915) 1.055 7.585 ( 4.375 -0.452 -9.740) 10.687 7.853 ( -4.579 0.656 14.476) 15.197 8.947 ( -3.263 0.039 7.416) 8.102 9.175 ( -6.469 0.401 16.675) 17.890 10.945 ( -1.144 -0.003 1.526) 1.908 11.650 ( 0.055 0.194 0.455) 0.498 11.973 ( 3.483 -0.258 -11.499) 12.017 12.460 ( -0.417 -0.208 0.794) 0.921 12.751 ( 2.436 0.234 -5.399) 5.928 13.731 ( -1.925 0.370 3.285) 3.826 13.849 ( 0.867 -0.233 -1.997) 2.190 18.668 ( -1.234 -0.430 -2.842) 3.128 18.713 ( 0.621 0.157 -1.572) 1.697 19.711 ( -2.216 0.152 4.997) 5.469 20.047 ( -4.046 -0.157 5.909) 7.164 21.649 ( 2.211 -0.134 -3.379) 4.040 22.666 ( 8.654 0.136 -21.021) 22.733 26.404 ( 1.618 2.578 6.779) 7.431 26.587 ( 1.061 -3.658 -3.203) 4.977 26.720 ( -1.444 0.585 1.638) 2.261 27.134 ( 0.914 0.697 -1.881) 2.204 ======================= Grid point 236 (112/205) ======================= q-point: (-0.11 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -0.288 4.528 9.046) 10.120 1.482 ( -11.829 -0.042 4.135) 12.531 1.564 ( 1.413 1.266 9.061) 9.257 1.889 ( -4.477 -5.191 4.405) 8.149 2.086 ( 2.415 4.001 8.748) 9.917 2.319 ( -5.856 -3.960 6.683) 9.728 2.478 ( -3.177 -0.647 1.643) 3.635 2.789 ( 4.706 -0.354 1.606) 4.985 3.056 ( -3.740 -2.114 4.925) 6.535 3.462 ( -3.460 2.951 -0.446) 4.570 3.583 ( -4.045 -0.374 6.532) 7.692 4.043 ( -3.946 2.070 4.867) 6.599 4.111 ( 2.056 -1.950 -1.747) 3.329 4.352 ( 2.870 -0.235 -0.778) 2.983 5.094 ( 0.885 1.795 1.050) 2.260 5.149 ( -1.123 -1.694 0.348) 2.062 6.163 ( -4.019 0.841 8.738) 9.655 6.191 ( -0.237 0.040 -0.336) 0.413 6.524 ( 3.909 -1.782 -11.574) 12.345 6.740 ( 3.862 -0.478 -6.991) 8.002 7.529 ( -0.194 0.426 -0.881) 0.997 7.589 ( 2.807 -0.962 -9.347) 9.807 7.860 ( -4.225 1.613 13.868) 14.587 8.932 ( -3.977 -0.096 7.285) 8.300 9.167 ( -6.376 1.338 16.827) 18.045 10.936 ( -0.946 0.163 1.522) 1.800 11.657 ( 0.668 0.489 0.574) 1.008 11.972 ( 4.536 -0.703 -11.208) 12.112 12.460 ( -0.438 -0.428 0.878) 1.071 12.753 ( 2.271 0.445 -5.502) 5.969 13.717 ( -1.751 0.389 3.197) 3.666 13.854 ( 1.010 -0.326 -1.907) 2.183 18.640 ( -0.801 -1.856 -2.702) 3.374 18.719 ( 1.300 0.141 -1.201) 1.776 19.707 ( -1.846 0.283 5.083) 5.415 20.025 ( -2.996 -0.103 5.804) 6.533 21.671 ( 2.513 -0.362 -3.097) 4.005 22.671 ( 7.954 0.467 -21.165) 22.615 26.435 ( 0.820 5.519 4.992) 7.487 26.640 ( 2.256 -6.514 -0.389) 6.905 26.718 ( 0.320 -0.056 1.400) 1.437 27.122 ( -0.168 1.064 -2.177) 2.429 ======================= Grid point 244 (113/205) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -0.188 -0.000 5.629) 5.632 1.448 ( -11.609 -0.000 6.947) 13.529 1.633 ( 2.793 0.000 9.345) 9.753 1.811 ( -7.379 -0.000 1.922) 7.625 2.135 ( 4.169 0.000 9.112) 10.020 2.281 ( -8.337 -0.000 8.779) 12.106 2.470 ( -4.132 -0.000 1.851) 4.527 2.784 ( 4.876 0.000 0.862) 4.952 3.043 ( -3.767 -0.000 5.192) 6.415 3.486 ( -2.691 -0.000 0.277) 2.705 3.579 ( -3.708 -0.000 4.392) 5.748 4.066 ( -6.069 -0.000 9.102) 10.940 4.090 ( 3.935 0.000 -5.075) 6.422 4.349 ( 3.082 0.000 -0.296) 3.096 5.120 ( -2.949 -0.000 2.127) 3.636 5.123 ( 3.368 0.000 -1.319) 3.617 6.171 ( -4.407 -0.000 10.835) 11.697 6.191 ( -0.267 -0.000 -2.055) 2.072 6.510 ( 4.072 0.000 -12.046) 12.716 6.736 ( 3.693 0.000 -6.808) 7.745 7.533 ( -0.494 -0.000 0.058) 0.497 7.581 ( 2.799 0.000 -9.882) 10.270 7.872 ( -3.927 -0.000 13.494) 14.053 8.931 ( -4.009 -0.000 7.191) 8.233 9.178 ( -6.107 -0.000 16.890) 17.960 10.937 ( -0.867 -0.000 1.523) 1.753 11.661 ( 0.692 0.000 0.611) 0.924 11.967 ( 4.478 0.000 -11.220) 12.081 12.457 ( -0.425 -0.000 0.847) 0.947 12.756 ( 2.223 0.000 -5.461) 5.897 13.720 ( -1.946 -0.000 3.354) 3.878 13.852 ( 1.116 0.000 -2.033) 2.320 18.626 ( -1.344 -0.000 -2.628) 2.952 18.720 ( 1.186 0.000 -1.156) 1.657 19.709 ( -1.869 -0.000 5.119) 5.449 20.024 ( -2.913 -0.000 5.808) 6.497 21.668 ( 2.501 0.000 -3.180) 4.045 22.674 ( 8.059 0.000 -21.159) 22.642 26.503 ( 2.970 0.000 7.765) 8.314 26.562 ( 0.492 0.000 -2.478) 2.527 26.720 ( -0.018 -0.000 0.803) 0.803 27.129 ( -0.366 -0.000 -2.206) 2.236 ======================= Grid point 245 (114/205) ======================= q-point: (-0.11 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -9.176 0.987 7.862) 12.123 1.267 ( -15.520 -3.585 8.237) 17.932 1.670 ( 0.650 10.135 4.962) 11.304 1.827 ( 1.711 -10.091 4.403) 11.142 2.155 ( -8.278 5.270 12.309) 15.742 2.256 ( -3.512 -4.954 9.687) 11.433 2.443 ( -0.631 -1.140 2.445) 2.770 2.856 ( 3.013 -0.590 -0.101) 3.072 3.002 ( -4.492 -0.985 3.105) 5.549 3.422 ( -3.585 2.796 -0.084) 4.547 3.552 ( -1.770 -0.994 0.661) 2.135 4.025 ( -6.576 2.023 14.050) 15.644 4.114 ( 2.138 -1.705 -5.448) 6.096 4.395 ( 2.084 0.232 0.480) 2.151 5.096 ( -1.396 -0.464 1.829) 2.347 5.174 ( 4.037 1.226 -1.558) 4.498 6.152 ( -4.196 1.186 7.898) 9.022 6.179 ( -0.872 -1.108 0.337) 1.450 6.518 ( 5.594 -0.851 -12.057) 13.319 6.758 ( 3.753 -0.384 -6.585) 7.589 7.519 ( -0.990 0.407 -0.225) 1.094 7.560 ( 1.774 -0.962 -9.243) 9.460 7.889 ( -3.744 1.038 12.942) 13.513 8.906 ( -4.354 -0.118 7.237) 8.446 9.181 ( -5.899 1.103 17.207) 18.223 10.936 ( -0.336 0.183 1.488) 1.536 11.679 ( 0.987 0.289 0.706) 1.248 11.980 ( 5.146 -0.421 -10.903) 12.064 12.457 ( -0.400 -0.204 0.923) 1.026 12.756 ( 1.993 0.160 -5.623) 5.968 13.710 ( -1.695 0.049 3.252) 3.668 13.860 ( 1.229 -0.092 -2.031) 2.375 18.596 ( -0.769 -1.725 -2.438) 3.084 18.739 ( 1.792 -0.060 -0.881) 1.998 19.713 ( -1.594 0.132 5.490) 5.718 20.031 ( -0.682 0.111 6.611) 6.647 21.689 ( 2.261 -0.240 -3.273) 3.985 22.665 ( 6.905 0.378 -21.578) 22.659 26.521 ( 0.892 7.793 1.865) 8.062 26.646 ( 3.585 -7.135 1.956) 8.221 26.727 ( 0.129 -0.951 1.080) 1.445 27.095 ( -1.591 0.193 -2.437) 2.916 ======================= Grid point 254 (115/205) ======================= q-point: (-0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -15.878 -0.000 7.893) 17.732 1.063 ( -15.452 -0.000 15.320) 21.759 1.761 ( 0.556 0.000 5.631) 5.658 1.867 ( 3.689 0.000 3.837) 5.323 2.057 ( -15.069 -0.000 18.172) 23.607 2.212 ( -4.299 -0.000 0.596) 4.340 2.488 ( 1.597 0.000 7.414) 7.584 2.819 ( -5.943 -0.000 -4.562) 7.492 2.997 ( 2.739 0.000 3.964) 4.819 3.383 ( -2.869 -0.000 2.552) 3.840 3.525 ( -0.610 -0.000 -1.088) 1.247 4.031 ( -6.856 -0.000 20.215) 21.346 4.092 ( 1.431 0.000 -8.016) 8.143 4.421 ( 0.549 0.000 0.330) 0.640 5.095 ( 0.097 0.000 1.867) 1.870 5.241 ( 4.322 0.000 -3.076) 5.305 6.146 ( -3.860 -0.000 10.493) 11.181 6.156 ( -0.426 -0.000 -2.027) 2.072 6.546 ( 7.094 0.000 -12.276) 14.178 6.775 ( 3.329 0.000 -6.572) 7.367 7.501 ( -1.066 -0.000 -0.197) 1.084 7.527 ( 1.978 0.000 -9.302) 9.510 7.906 ( -4.507 -0.000 12.606) 13.387 8.881 ( -4.111 -0.000 7.462) 8.519 9.201 ( -5.297 -0.000 17.339) 18.130 10.945 ( 0.130 0.000 1.472) 1.478 11.700 ( 0.792 0.000 0.759) 1.097 11.997 ( 5.134 0.000 -10.629) 11.804 12.456 ( -0.268 -0.000 1.003) 1.038 12.752 ( 1.831 0.000 -5.783) 6.066 13.703 ( -1.502 -0.000 3.184) 3.521 13.867 ( 1.209 0.000 -2.175) 2.488 18.567 ( -0.190 -0.000 -1.822) 1.831 18.764 ( 1.917 0.000 -1.270) 2.299 19.723 ( -1.588 -0.000 5.971) 6.179 20.100 ( 3.819 0.000 7.686) 8.583 21.699 ( 1.652 0.000 -3.702) 4.054 22.629 ( 4.951 0.000 -21.857) 22.411 26.584 ( 2.421 0.000 -1.839) 3.040 26.650 ( -2.311 -0.000 -0.032) 2.311 26.722 ( -0.538 -0.000 0.511) 0.742 27.074 ( 1.359 0.000 0.223) 1.377 ======================= Grid point 255 (116/205) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 5.215 0.000 9.209) 10.583 1.251 ( -8.135 -0.000 6.188) 10.221 1.745 ( -10.454 -0.000 7.191) 12.689 1.764 ( -3.180 -0.000 -0.020) 3.180 2.222 ( 0.821 0.000 6.874) 6.922 2.306 ( -2.498 -0.000 11.743) 12.006 2.634 ( -0.425 -0.000 -1.216) 1.288 2.677 ( -2.723 -0.000 3.912) 4.766 3.151 ( 1.450 0.000 0.236) 1.469 3.493 ( 5.452 0.000 -3.897) 6.701 3.706 ( 4.883 0.000 6.812) 8.381 3.890 ( 0.566 0.000 -2.817) 2.873 4.357 ( -6.984 -0.000 10.273) 12.422 4.362 ( -2.964 -0.000 -0.543) 3.014 5.174 ( -3.344 -0.000 3.070) 4.540 5.242 ( -0.769 -0.000 6.764) 6.807 6.044 ( 1.698 0.000 -5.786) 6.030 6.263 ( 3.388 0.000 -7.855) 8.554 6.427 ( 3.262 0.000 -2.642) 4.198 6.623 ( 0.721 0.000 -6.806) 6.844 7.391 ( 2.619 0.000 -4.067) 4.837 7.421 ( 0.530 0.000 -3.535) 3.574 8.249 ( -9.610 -0.000 22.836) 24.776 8.961 ( 0.371 0.000 1.092) 1.154 9.624 ( -8.055 -0.000 22.569) 23.963 10.938 ( 3.030 0.000 -6.706) 7.358 11.718 ( -0.704 -0.000 -0.313) 0.770 11.802 ( 4.093 0.000 -9.812) 10.631 12.487 ( -0.201 -0.000 1.371) 1.385 12.635 ( 1.053 0.000 -4.304) 4.431 13.746 ( -0.922 -0.000 1.830) 2.049 13.830 ( 1.030 0.000 -2.014) 2.262 18.573 ( 2.143 0.000 -0.082) 2.145 18.694 ( -0.567 -0.000 -3.439) 3.485 19.906 ( -4.368 -0.000 10.536) 11.406 20.351 ( 1.168 0.000 0.026) 1.169 21.599 ( 0.329 0.000 -3.290) 3.307 22.118 ( 7.765 0.000 -21.565) 22.920 26.373 ( -7.113 -0.000 3.471) 7.915 26.602 ( 4.384 0.000 -3.919) 5.881 26.768 ( -0.781 -0.000 4.273) 4.344 27.073 ( -0.576 -0.000 -5.526) 5.556 ======================= Grid point 256 (117/205) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -4.989 5.357 0.974) 7.385 1.184 ( 5.718 -2.526 6.858) 9.280 1.632 ( -7.916 0.632 9.156) 12.120 1.760 ( -1.216 -0.775 6.842) 6.992 2.270 ( -0.640 1.623 7.842) 8.034 2.313 ( -4.240 -1.017 7.132) 8.359 2.645 ( 2.066 1.267 1.038) 2.636 2.680 ( -0.366 -3.549 0.657) 3.627 3.172 ( 1.221 -0.332 -0.539) 1.375 3.550 ( 4.480 1.345 -3.346) 5.751 3.821 ( 2.106 -1.028 7.885) 8.226 3.882 ( 1.029 0.076 -3.975) 4.107 4.294 ( -3.331 2.807 3.441) 5.552 4.325 ( -4.284 -1.379 4.786) 6.569 5.131 ( -2.879 2.770 4.644) 6.125 5.276 ( -1.934 -3.041 6.327) 7.281 6.047 ( 2.999 -0.123 -6.068) 6.770 6.263 ( 1.465 -0.728 -5.366) 5.609 6.454 ( 2.645 0.704 -3.711) 4.611 6.591 ( 0.508 -0.948 -7.181) 7.261 7.402 ( 2.148 1.463 -3.963) 4.739 7.420 ( 2.012 -0.974 -4.424) 4.957 8.238 ( -8.940 0.139 23.000) 24.677 8.980 ( 0.846 -0.189 1.119) 1.415 9.622 ( -9.157 0.490 22.785) 24.561 10.943 ( 2.743 0.218 -6.799) 7.335 11.695 ( -1.454 0.186 -0.566) 1.572 11.803 ( 3.303 -0.006 -9.642) 10.191 12.493 ( -0.126 0.060 1.474) 1.481 12.626 ( 1.154 -0.128 -4.279) 4.434 13.743 ( -0.841 -0.342 1.644) 1.878 13.834 ( 0.876 0.046 -1.777) 1.982 18.614 ( 2.340 -0.515 -0.225) 2.406 18.665 ( -0.405 -0.588 -3.395) 3.470 19.891 ( -5.010 0.018 9.832) 11.035 20.335 ( -2.855 0.870 1.594) 3.383 21.587 ( 0.562 -0.064 -2.591) 2.652 22.129 ( 9.776 -0.323 -22.619) 24.643 26.313 ( -3.154 -0.075 4.546) 5.533 26.647 ( 3.986 1.449 -2.816) 5.091 26.792 ( -0.312 -1.248 4.533) 4.712 27.012 ( -2.347 -0.830 -5.483) 6.022 ======================= Grid point 257 (118/205) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -5.046 -1.588 -0.653) 5.330 1.380 ( 9.182 2.175 8.315) 12.577 1.614 ( -1.733 -1.398 11.264) 11.482 1.793 ( -0.276 0.662 6.233) 6.274 2.256 ( -3.255 -0.091 4.068) 5.211 2.308 ( -2.856 -0.305 6.551) 7.153 2.662 ( -1.607 -1.971 2.096) 3.295 2.716 ( 2.197 0.880 0.467) 2.412 3.193 ( 1.490 -0.197 -0.530) 1.594 3.571 ( 0.695 0.923 -1.864) 2.193 3.864 ( -0.171 1.169 0.964) 1.524 3.888 ( 1.452 -0.207 -0.515) 1.554 4.259 ( -0.961 1.770 1.863) 2.744 4.299 ( -3.521 -0.317 6.088) 7.040 5.105 ( -1.887 2.299 5.513) 6.264 5.296 ( -2.880 -3.119 5.959) 7.317 6.066 ( 3.781 0.095 -6.252) 7.307 6.259 ( 0.556 -1.329 -3.433) 3.723 6.459 ( 1.677 1.488 -3.805) 4.416 6.569 ( 1.332 -1.548 -7.274) 7.555 7.403 ( 2.065 0.088 -4.568) 5.014 7.435 ( 2.710 0.255 -4.485) 5.246 8.236 ( -8.750 -0.025 23.127) 24.727 9.003 ( 0.857 -0.265 0.897) 1.269 9.601 ( -10.081 0.563 22.954) 25.077 10.941 ( 2.356 0.323 -6.766) 7.171 11.664 ( -1.473 0.086 -0.666) 1.619 11.792 ( 2.814 0.225 -9.911) 10.305 12.499 ( -0.155 0.295 1.537) 1.572 12.623 ( 1.388 -0.429 -4.126) 4.374 13.743 ( -0.779 -0.705 1.437) 1.780 13.836 ( 0.714 0.189 -1.531) 1.700 18.639 ( 0.748 -0.208 -2.143) 2.279 18.658 ( 1.215 -1.033 -1.723) 2.348 19.866 ( -4.984 -0.103 8.945) 10.240 20.278 ( -4.610 0.982 3.039) 5.608 21.586 ( 0.999 0.177 -1.742) 2.016 22.157 ( 10.286 -0.582 -23.076) 25.272 26.317 ( -0.403 -0.717 4.408) 4.484 26.675 ( 2.392 2.464 -0.840) 3.535 26.817 ( -0.531 0.701 3.174) 3.294 26.964 ( -0.708 -3.415 -4.101) 5.383 ======================= Grid point 258 (119/205) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.429 -3.321 5.631) 6.551 1.536 ( 4.684 3.259 9.716) 11.267 1.729 ( 4.338 -4.006 9.283) 11.002 1.815 ( -0.108 0.804 4.590) 4.661 2.241 ( -2.782 -1.558 2.195) 3.871 2.297 ( -2.534 -1.645 5.446) 6.228 2.642 ( -2.436 0.806 0.044) 2.566 2.736 ( 0.567 1.369 2.216) 2.665 3.212 ( 0.933 1.043 0.304) 1.432 3.535 ( -3.218 -0.630 -2.113) 3.901 3.836 ( -2.238 3.605 1.534) 4.512 3.911 ( 3.521 0.251 -4.610) 5.806 4.253 ( -1.029 0.047 3.064) 3.232 4.292 ( -1.928 -0.043 5.800) 6.112 5.100 ( -1.493 1.460 5.678) 6.049 5.300 ( -3.420 -2.209 6.125) 7.355 6.089 ( 3.670 0.222 -6.255) 7.256 6.258 ( 0.499 -1.687 -3.199) 3.651 6.443 ( 0.738 2.157 -3.291) 4.003 6.566 ( 2.508 -1.153 -6.830) 7.367 7.414 ( 2.265 -1.096 -4.568) 5.215 7.450 ( 2.823 0.616 -4.607) 5.438 8.236 ( -8.933 -0.343 23.429) 25.077 9.020 ( 0.417 -0.163 0.493) 0.667 9.570 ( -10.427 0.212 23.040) 25.290 10.932 ( 1.918 0.307 -6.658) 6.936 11.641 ( -0.761 -0.228 -0.611) 1.002 11.771 ( 2.880 0.566 -10.411) 10.817 12.502 ( -0.316 0.630 1.491) 1.649 12.627 ( 1.668 -0.790 -3.931) 4.343 13.745 ( -0.728 -0.973 1.265) 1.754 13.836 ( 0.595 0.421 -1.337) 1.523 18.640 ( 0.964 -0.674 -2.540) 2.799 18.670 ( 0.724 0.077 -1.495) 1.663 19.843 ( -4.335 -0.294 8.303) 9.372 20.213 ( -4.728 0.761 3.468) 5.913 21.596 ( 1.508 0.546 -1.180) 1.991 22.186 ( 9.875 -0.792 -22.776) 24.837 26.354 ( 0.586 -1.359 3.817) 4.094 26.685 ( 1.479 2.810 -0.193) 3.181 26.800 ( -1.560 1.905 2.077) 3.221 26.990 ( 1.980 -4.134 -2.050) 5.021 ======================= Grid point 259 (120/205) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 4.359 -1.553 10.927) 11.867 1.601 ( -2.525 0.137 8.419) 8.791 1.792 ( -1.187 3.541 3.915) 5.411 1.943 ( 5.673 -5.360 9.073) 11.968 2.191 ( -4.016 2.301 4.410) 6.394 2.330 ( -0.533 -5.893 1.365) 6.072 2.579 ( -2.086 3.030 -1.373) 3.927 2.757 ( 1.340 0.296 1.736) 2.213 3.206 ( -1.056 2.447 1.737) 3.181 3.459 ( -4.662 -1.634 -2.492) 5.533 3.764 ( -3.221 5.096 0.648) 6.063 3.940 ( 4.264 0.317 -6.733) 7.975 4.263 ( -2.002 -2.108 6.098) 6.755 4.308 ( -0.288 -0.634 4.410) 4.465 5.103 ( -1.332 0.663 5.331) 5.534 5.288 ( -4.038 -0.354 6.774) 7.894 6.103 ( 2.827 0.148 -6.014) 6.647 6.257 ( 0.869 -1.573 -4.511) 4.856 6.414 ( 0.061 2.689 -2.199) 3.475 6.582 ( 3.619 -0.304 -6.346) 7.312 7.435 ( 2.043 -1.693 -3.961) 4.768 7.460 ( 2.510 0.596 -5.034) 5.656 8.238 ( -8.984 -0.693 23.732) 25.385 9.023 ( -0.317 0.104 0.105) 0.350 9.545 ( -10.031 -0.611 23.220) 25.301 10.918 ( 1.665 0.133 -6.532) 6.743 11.637 ( 0.283 -0.560 -0.479) 0.789 11.752 ( 3.561 0.804 -10.829) 11.428 12.499 ( -0.506 0.830 1.417) 1.719 12.638 ( 1.782 -0.954 -3.862) 4.359 13.748 ( -0.691 -1.082 1.192) 1.752 13.833 ( 0.546 0.701 -1.256) 1.538 18.644 ( 0.626 0.413 -2.188) 2.313 18.668 ( 0.932 0.105 -1.849) 2.073 19.832 ( -3.437 -0.463 8.210) 8.912 20.157 ( -3.866 0.492 3.369) 5.151 21.612 ( 1.850 0.850 -1.145) 2.336 22.209 ( 9.103 -0.931 -22.280) 24.086 26.397 ( 0.448 -2.049 2.801) 3.499 26.684 ( 1.034 2.737 -0.127) 2.929 26.786 ( -0.081 1.861 2.456) 3.082 27.037 ( 1.655 -2.936 -1.688) 3.770 ======================= Grid point 260 (121/205) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 2.817 0.733 10.152) 10.561 1.562 ( -8.269 -2.044 7.311) 11.225 1.743 ( -5.026 3.716 5.395) 8.256 2.018 ( -3.276 1.471 3.561) 5.057 2.215 ( 2.246 -1.035 7.114) 7.532 2.383 ( 2.257 -5.139 2.106) 5.996 2.524 ( -2.184 2.435 0.192) 3.276 2.802 ( 3.605 -0.038 -0.707) 3.674 3.161 ( -3.953 2.621 3.091) 5.661 3.386 ( -3.785 -2.194 -1.635) 4.671 3.673 ( -2.729 5.723 -0.663) 6.375 3.957 ( 3.414 0.233 -7.935) 8.641 4.296 ( -2.640 -4.505 9.260) 10.631 4.345 ( 0.667 -1.585 3.600) 3.990 5.116 ( -0.615 -0.241 4.458) 4.507 5.256 ( -4.420 1.774 7.546) 8.923 6.106 ( 1.883 -0.121 -5.593) 5.903 6.251 ( 1.690 -0.659 -6.700) 6.941 6.383 ( -0.310 2.762 -0.777) 2.886 6.609 ( 4.181 0.383 -6.029) 7.347 7.443 ( 0.771 -0.186 -4.133) 4.209 7.467 ( 2.163 -0.701 -4.761) 5.276 8.246 ( -8.770 -0.993 23.776) 25.361 9.010 ( -1.031 0.387 -0.049) 1.103 9.540 ( -9.149 -1.565 23.455) 25.225 10.906 ( 1.850 -0.173 -6.410) 6.674 11.651 ( 1.150 -0.754 -0.341) 1.416 11.745 ( 4.557 0.816 -10.998) 11.933 12.492 ( -0.624 0.789 1.387) 1.714 12.649 ( 1.647 -0.833 -3.948) 4.359 13.752 ( -0.701 -0.990 1.289) 1.770 13.829 ( 0.619 0.880 -1.361) 1.735 18.621 ( -0.233 2.136 -2.109) 3.011 18.684 ( 1.985 -0.374 -1.808) 2.711 19.838 ( -2.676 -0.546 8.686) 9.106 20.125 ( -2.120 0.174 3.303) 3.929 21.628 ( 1.808 0.973 -1.612) 2.611 22.221 ( 8.128 -0.928 -21.994) 23.466 26.431 ( 0.059 -2.747 1.377) 3.073 26.682 ( 0.458 1.565 0.329) 1.664 26.800 ( 1.833 2.774 2.106) 3.936 27.057 ( 0.159 -1.612 -1.980) 2.558 ======================= Grid point 261 (122/205) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -8.908 3.495 3.840) 10.311 1.461 ( -11.320 -1.074 9.787) 15.003 1.704 ( -1.281 -2.173 7.426) 7.843 1.974 ( -1.104 2.897 0.877) 3.222 2.261 ( -1.467 -0.240 3.721) 4.007 2.459 ( -3.936 3.286 2.430) 5.674 2.504 ( 3.230 -3.915 6.411) 8.176 2.852 ( 2.692 1.163 -1.499) 3.293 3.086 ( -4.822 2.013 4.053) 6.613 3.352 ( -1.499 -3.009 -0.695) 3.433 3.594 ( -1.014 5.664 -0.638) 5.790 3.951 ( 2.092 0.105 -8.138) 8.403 4.349 ( -3.282 -5.364 10.818) 12.514 4.394 ( 0.420 -2.472 3.765) 4.524 5.139 ( -0.429 -1.318 2.918) 3.231 5.224 ( -2.700 2.996 8.076) 9.027 6.100 ( 1.305 -0.400 -5.187) 5.364 6.239 ( 2.789 0.970 -8.364) 8.869 6.359 ( -0.055 1.910 -0.126) 1.915 6.636 ( 3.924 0.823 -5.820) 7.067 7.418 ( 0.095 0.497 -4.835) 4.861 7.473 ( 1.023 -0.772 -3.889) 4.094 8.258 ( -8.509 -1.245 23.437) 24.964 8.986 ( -1.319 0.481 0.119) 1.409 9.555 ( -8.345 -2.008 23.509) 25.026 10.904 ( 2.414 -0.451 -6.335) 6.794 11.678 ( 1.466 -0.761 -0.195) 1.664 11.754 ( 5.320 0.658 -10.946) 12.188 12.486 ( -0.608 0.569 1.388) 1.619 12.654 ( 1.373 -0.538 -4.076) 4.334 13.755 ( -0.788 -0.656 1.575) 1.879 13.825 ( 0.810 0.788 -1.704) 2.045 18.587 ( -0.128 2.780 -1.923) 3.383 18.710 ( 2.086 -0.097 -1.900) 2.823 19.858 ( -2.335 -0.521 9.515) 9.812 20.132 ( 0.650 -0.320 3.334) 3.411 21.636 ( 1.377 0.905 -2.366) 2.883 22.215 ( 6.924 -0.715 -21.939) 23.017 26.458 ( 0.055 -3.506 0.088) 3.507 26.676 ( -0.894 -0.110 -0.098) 0.906 26.821 ( 1.876 4.372 1.023) 4.866 27.048 ( -0.078 -0.523 -1.855) 1.929 ======================= Grid point 262 (123/205) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -12.616 1.230 3.132) 13.057 1.355 ( -11.178 -2.155 14.493) 18.429 1.791 ( 2.096 -4.652 4.602) 6.871 1.937 ( -1.777 1.330 -1.917) 2.933 2.227 ( -2.903 3.133 1.984) 4.709 2.370 ( -6.525 4.751 7.619) 11.099 2.607 ( -0.115 -4.765 6.794) 8.299 2.819 ( -3.872 3.434 0.341) 5.187 3.066 ( 1.113 1.347 3.509) 3.920 3.368 ( 1.364 -3.279 -1.096) 3.716 3.562 ( 1.542 4.765 1.304) 5.175 3.927 ( 1.025 0.080 -6.918) 6.994 4.387 ( -4.013 -4.573 8.751) 10.658 4.430 ( -1.817 -1.692 5.499) 6.034 5.151 ( -1.616 -2.403 3.380) 4.451 5.233 ( 0.258 2.962 5.940) 6.643 6.088 ( 0.856 0.007 -5.178) 5.249 6.231 ( 4.103 1.667 -8.571) 9.647 6.357 ( 1.270 0.523 -0.692) 1.538 6.651 ( 3.061 0.998 -5.931) 6.748 7.388 ( 0.440 0.036 -4.755) 4.775 7.462 ( 0.075 -0.125 -3.379) 3.382 8.270 ( -8.780 -1.207 22.857) 24.515 8.965 ( -1.021 0.368 0.494) 1.192 9.581 ( -7.787 -1.674 23.206) 24.535 10.913 ( 2.965 -0.505 -6.372) 7.046 11.705 ( 1.145 -0.610 -0.059) 1.298 11.773 ( 5.426 0.444 -10.713) 12.017 12.482 ( -0.470 0.291 1.378) 1.485 12.652 ( 1.144 -0.231 -4.170) 4.330 13.754 ( -0.917 -0.172 1.873) 2.092 13.824 ( 1.001 0.440 -2.090) 2.358 18.558 ( 0.374 2.561 -1.332) 2.911 18.726 ( 1.408 0.177 -2.479) 2.857 19.884 ( -2.592 -0.380 10.329) 10.656 20.195 ( 3.909 -0.965 2.651) 4.820 21.631 ( 0.795 0.685 -3.101) 3.274 22.185 ( 5.713 -0.286 -21.759) 22.498 26.486 ( -0.018 -4.648 -0.617) 4.688 26.639 ( -3.458 -0.075 -1.720) 3.863 26.798 ( -0.677 5.302 0.824) 5.409 27.060 ( 2.614 -0.127 -1.887) 3.226 ======================= Grid point 263 (124/205) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -3.557 -2.486 6.970) 8.210 1.304 ( -8.574 -2.767 14.604) 17.160 1.833 ( -2.679 -2.266 -2.088) 4.083 1.862 ( -5.228 1.134 0.644) 5.389 2.185 ( -1.201 2.020 5.022) 5.545 2.297 ( -5.134 3.193 11.824) 13.280 2.646 ( -3.549 -5.633 3.809) 7.671 2.728 ( -3.208 5.666 2.540) 6.990 3.114 ( 2.445 0.445 1.826) 3.084 3.424 ( 4.089 -2.078 -2.504) 5.226 3.600 ( 4.169 2.789 4.310) 6.612 3.903 ( 0.604 0.070 -4.578) 4.619 4.388 ( -5.030 -3.436 6.792) 9.123 4.418 ( -4.095 0.649 5.311) 6.738 5.173 ( -1.721 -4.630 3.790) 6.226 5.239 ( -0.542 4.517 4.925) 6.705 6.063 ( 0.651 0.471 -5.481) 5.539 6.247 ( 4.977 0.794 -8.802) 10.143 6.385 ( 2.822 -0.273 -1.371) 3.149 6.647 ( 1.810 0.745 -6.356) 6.651 7.378 ( 1.607 -0.582 -4.322) 4.648 7.440 ( -0.028 0.328 -3.155) 3.172 8.266 ( -9.589 -0.616 22.596) 24.555 8.956 ( -0.350 0.192 0.860) 0.948 9.608 ( -7.525 -0.845 22.722) 23.951 10.927 ( 3.162 -0.296 -6.526) 7.258 11.721 ( 0.330 -0.333 -0.076) 0.475 11.791 ( 4.905 0.202 -10.284) 11.396 12.483 ( -0.310 0.079 1.345) 1.383 12.644 ( 1.047 -0.035 -4.245) 4.372 13.750 ( -0.975 0.116 1.943) 2.177 13.826 ( 1.082 0.114 -2.176) 2.433 18.551 ( 1.244 1.390 -0.529) 1.939 18.720 ( 0.210 0.253 -3.152) 3.169 19.903 ( -3.396 -0.162 10.731) 11.257 20.292 ( 4.752 -1.024 0.725) 4.915 21.616 ( 0.385 0.340 -3.482) 3.519 22.143 ( 5.695 0.091 -21.297) 22.045 26.482 ( -7.148 -4.128 1.280) 8.353 26.569 ( 1.615 1.975 -3.895) 4.655 26.766 ( -0.739 2.650 2.804) 3.928 27.089 ( 2.277 0.017 -3.987) 4.591 ======================= Grid point 265 (125/205) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -6.406 -0.000 -1.843) 6.666 1.395 ( 9.285 0.000 9.514) 13.294 1.605 ( -2.673 -0.000 11.329) 11.640 1.803 ( 0.426 0.000 6.895) 6.908 2.249 ( -5.429 -0.000 2.075) 5.812 2.310 ( -2.431 -0.000 8.856) 9.183 2.647 ( -1.016 -0.000 2.329) 2.541 2.723 ( 3.099 0.000 0.254) 3.110 3.192 ( 2.007 0.000 -0.935) 2.214 3.578 ( -0.078 -0.000 -2.096) 2.097 3.878 ( -1.192 -0.000 8.269) 8.354 3.882 ( 3.646 0.000 -7.407) 8.256 4.273 ( -2.465 -0.000 1.567) 2.921 4.296 ( -2.868 -0.000 6.812) 7.391 5.128 ( -2.011 -0.000 4.675) 5.089 5.267 ( -2.659 -0.000 6.302) 6.840 6.068 ( 3.919 0.000 -5.918) 7.098 6.248 ( 0.786 0.000 -4.100) 4.175 6.471 ( 1.974 0.000 -4.021) 4.480 6.556 ( 1.386 0.000 -7.408) 7.536 7.403 ( 1.488 0.000 -4.807) 5.032 7.437 ( 2.905 0.000 -4.133) 5.052 8.236 ( -8.821 -0.000 23.041) 24.671 9.001 ( 0.882 0.000 0.978) 1.318 9.605 ( -10.225 -0.000 22.945) 25.120 10.943 ( 2.298 0.000 -6.723) 7.105 11.665 ( -1.591 -0.000 -0.664) 1.724 11.793 ( 2.854 0.000 -9.744) 10.154 12.502 ( -0.083 -0.000 1.588) 1.590 12.619 ( 1.301 0.000 -4.152) 4.351 13.738 ( -0.801 -0.000 1.477) 1.680 13.838 ( 0.776 0.000 -1.585) 1.765 18.639 ( 0.240 0.000 -3.206) 3.215 18.649 ( 2.006 0.000 -0.461) 2.058 19.865 ( -5.047 -0.000 8.965) 10.288 20.285 ( -4.801 -0.000 2.909) 5.614 21.588 ( 1.094 0.000 -1.656) 1.984 22.152 ( 10.356 0.000 -23.265) 25.466 26.312 ( -0.555 -0.000 4.522) 4.556 26.691 ( 1.298 0.000 0.411) 1.361 26.831 ( 2.494 0.000 2.874) 3.805 26.932 ( -2.401 -0.000 -4.932) 5.486 ======================= Grid point 266 (126/205) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.911 -1.639 6.079) 6.362 1.568 ( 3.811 0.904 9.697) 10.459 1.694 ( 4.435 -0.838 10.628) 11.546 1.840 ( 0.422 1.657 4.040) 4.387 2.188 ( -2.752 -3.148 -0.897) 4.277 2.303 ( -4.818 0.678 9.323) 10.517 2.647 ( -0.787 0.062 1.282) 1.506 2.751 ( 0.079 0.573 1.026) 1.177 3.223 ( 2.232 0.434 -0.927) 2.456 3.526 ( -4.076 -0.381 -2.019) 4.565 3.880 ( -2.545 2.046 5.229) 6.165 3.912 ( 4.610 -0.132 -6.909) 8.307 4.246 ( -2.427 -0.597 2.298) 3.395 4.296 ( -2.007 0.323 6.160) 6.487 5.125 ( -1.401 1.512 5.062) 5.466 5.266 ( -3.025 -1.958 6.285) 7.245 6.096 ( 3.910 0.504 -5.889) 7.086 6.239 ( 0.610 -0.773 -3.453) 3.591 6.469 ( 1.333 1.251 -3.869) 4.279 6.549 ( 2.949 -0.986 -7.298) 7.932 7.402 ( 1.820 -0.489 -4.764) 5.123 7.456 ( 2.642 0.239 -4.305) 5.057 8.233 ( -9.076 -0.118 23.397) 25.096 9.019 ( 0.490 -0.062 0.660) 0.824 9.573 ( -10.795 0.119 23.099) 25.498 10.935 ( 1.758 0.110 -6.517) 6.751 11.639 ( -0.949 -0.082 -0.593) 1.122 11.777 ( 2.960 0.225 -10.295) 10.715 12.509 ( -0.207 0.274 1.608) 1.644 12.619 ( 1.549 -0.351 -3.985) 4.290 13.735 ( -0.722 -0.363 1.321) 1.549 13.840 ( 0.707 0.148 -1.398) 1.573 18.633 ( 1.116 -0.288 -2.862) 3.085 18.671 ( 1.190 0.037 -1.119) 1.634 19.840 ( -4.420 -0.113 8.317) 9.419 20.221 ( -4.987 0.297 3.449) 6.071 21.602 ( 1.608 0.240 -0.945) 1.880 22.178 ( 9.967 -0.333 -23.140) 25.198 26.342 ( 0.418 -0.420 4.039) 4.083 26.703 ( -0.364 0.318 2.255) 2.306 26.850 ( 0.344 4.532 -1.403) 4.757 26.925 ( 2.312 -4.742 -1.018) 5.373 ======================= Grid point 267 (127/205) ======================= q-point: (-0.67 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 5.675 -1.053 12.654) 13.909 1.619 ( -3.209 1.580 7.523) 8.330 1.831 ( 0.829 1.883 4.481) 4.931 1.891 ( 5.746 -1.938 8.455) 10.405 2.188 ( -0.199 -2.735 -0.890) 2.883 2.272 ( -4.634 -1.458 7.644) 9.057 2.621 ( -1.386 2.585 -0.810) 3.043 2.750 ( -0.428 -0.995 1.262) 1.663 3.236 ( 0.333 1.561 -0.406) 1.647 3.440 ( -4.954 -0.951 -1.825) 5.364 3.833 ( -3.554 4.153 3.676) 6.587 3.943 ( 4.319 0.077 -7.354) 8.528 4.229 ( -2.908 -2.400 3.080) 4.869 4.304 ( -1.338 -0.121 5.514) 5.675 5.122 ( -1.462 1.716 5.277) 5.738 5.271 ( -3.168 -1.830 7.013) 7.910 6.113 ( 3.066 0.900 -5.980) 6.780 6.236 ( 0.698 -1.254 -3.451) 3.737 6.452 ( 1.042 2.317 -3.742) 4.523 6.573 ( 4.211 -0.880 -6.720) 7.979 7.412 ( 1.954 -1.306 -4.319) 4.917 7.467 ( 2.220 0.334 -4.578) 5.099 8.230 ( -9.187 -0.381 23.903) 25.610 9.024 ( -0.209 0.043 0.323) 0.388 9.539 ( -10.639 -0.256 23.324) 25.637 10.920 ( 1.377 0.060 -6.325) 6.474 11.630 ( 0.109 -0.339 -0.437) 0.563 11.762 ( 3.625 0.502 -10.928) 11.525 12.510 ( -0.451 0.646 1.512) 1.705 12.625 ( 1.744 -0.745 -3.878) 4.317 13.736 ( -0.602 -0.639 1.212) 1.496 13.841 ( 0.648 0.392 -1.261) 1.471 18.643 ( 1.734 -0.285 -2.461) 3.024 18.675 ( 0.750 0.579 -1.790) 2.025 19.827 ( -3.492 -0.289 8.190) 8.909 20.163 ( -4.140 0.302 3.444) 5.394 21.623 ( 1.898 0.627 -0.810) 2.156 22.197 ( 9.183 -0.679 -22.676) 24.474 26.376 ( 0.150 -0.964 3.281) 3.423 26.705 ( -0.603 0.551 1.856) 2.028 26.827 ( 1.551 3.411 -0.956) 3.867 26.991 ( 2.247 -3.238 -0.615) 3.989 ======================= Grid point 268 (128/205) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 4.179 0.574 11.313) 12.074 1.555 ( -7.955 0.834 6.946) 10.594 1.801 ( -4.146 3.803 2.623) 6.207 2.020 ( -1.221 0.045 7.770) 7.865 2.211 ( 1.982 -0.705 4.452) 4.924 2.300 ( 1.578 -5.812 2.204) 6.413 2.567 ( -1.419 3.682 -0.492) 3.977 2.780 ( 2.029 -2.662 0.189) 3.353 3.200 ( -2.883 2.514 0.360) 3.842 3.364 ( -3.979 -1.003 -0.169) 4.107 3.757 ( -3.099 5.845 1.907) 6.885 3.958 ( 3.324 -0.046 -8.140) 8.793 4.228 ( -3.121 -4.919 4.950) 7.644 4.324 ( -0.869 -1.345 4.975) 5.227 5.121 ( -1.396 0.834 4.996) 5.254 5.270 ( -3.417 0.136 8.158) 8.846 6.111 ( 2.030 0.753 -5.905) 6.289 6.236 ( 1.142 -1.145 -3.871) 4.196 6.426 ( 1.014 3.041 -3.571) 4.799 6.611 ( 4.725 -0.009 -6.118) 7.730 7.426 ( 1.344 -1.591 -3.781) 4.316 7.467 ( 1.673 0.249 -5.139) 5.411 8.233 ( -9.078 -0.684 24.204) 25.859 9.015 ( -0.971 0.259 0.168) 1.019 9.520 ( -9.746 -1.053 23.631) 25.584 10.904 ( 1.488 -0.182 -6.220) 6.398 11.641 ( 1.044 -0.611 -0.298) 1.246 11.756 ( 4.581 0.642 -11.309) 12.219 12.504 ( -0.658 0.839 1.407) 1.765 12.636 ( 1.728 -0.894 -3.921) 4.377 13.739 ( -0.459 -0.736 1.188) 1.472 13.840 ( 0.585 0.642 -1.217) 1.495 18.649 ( 0.901 1.567 -2.370) 2.981 18.680 ( 1.990 -0.157 -2.064) 2.871 19.831 ( -2.665 -0.438 8.609) 9.023 20.126 ( -2.514 0.098 3.414) 4.241 21.643 ( 1.794 0.961 -1.283) 2.406 22.207 ( 8.226 -0.922 -22.265) 23.754 26.399 ( -0.541 -1.677 2.346) 2.935 26.698 ( -0.775 0.739 0.817) 1.347 26.842 ( 3.241 2.958 -0.140) 4.390 27.031 ( 0.845 -1.996 -1.130) 2.445 ======================= Grid point 269 (129/205) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -6.516 2.794 1.483) 7.243 1.453 ( -9.678 0.420 8.744) 13.050 1.710 ( -4.762 2.452 7.854) 9.507 1.994 ( -3.442 0.756 2.012) 4.058 2.266 ( 0.411 -0.119 3.669) 3.693 2.421 ( 3.213 -6.243 3.382) 7.793 2.522 ( -1.377 4.517 3.197) 5.702 2.846 ( 3.052 -1.970 -0.660) 3.692 3.122 ( -3.881 2.799 1.504) 5.015 3.323 ( -2.224 -1.124 1.406) 2.861 3.682 ( -1.457 6.558 1.157) 6.816 3.951 ( 2.255 -0.043 -8.822) 9.106 4.259 ( -2.853 -6.919 7.103) 10.319 4.355 ( -0.829 -2.775 4.620) 5.453 5.124 ( -1.736 -0.696 4.014) 4.429 5.264 ( -2.391 2.384 9.106) 9.712 6.099 ( 1.441 0.263 -5.620) 5.808 6.242 ( 1.996 -0.366 -4.360) 4.809 6.399 ( 1.088 3.261 -3.527) 4.925 6.648 ( 4.342 0.867 -5.675) 7.198 7.419 ( -0.170 -0.330 -3.962) 3.980 7.462 ( 1.526 -0.769 -5.171) 5.446 8.241 ( -8.956 -1.057 24.084) 25.717 8.993 ( -1.357 0.437 0.288) 1.454 9.527 ( -8.643 -1.777 23.842) 25.423 10.897 ( 2.097 -0.529 -6.200) 6.567 11.666 ( 1.439 -0.794 -0.220) 1.658 11.764 ( 5.352 0.629 -11.345) 12.560 12.495 ( -0.717 0.768 1.362) 1.720 12.645 ( 1.531 -0.755 -4.064) 4.408 13.745 ( -0.355 -0.597 1.300) 1.474 13.836 ( 0.553 0.747 -1.338) 1.629 18.629 ( 0.753 2.952 -2.575) 3.989 18.707 ( 2.370 -0.234 -2.109) 3.181 19.851 ( -2.248 -0.501 9.366) 9.645 20.126 ( -0.096 -0.448 3.531) 3.561 21.651 ( 1.316 1.106 -2.116) 2.726 22.203 ( 7.145 -0.876 -22.023) 23.169 26.413 ( -1.072 -2.645 1.574) 3.260 26.677 ( -1.554 0.212 -0.342) 1.606 26.878 ( 3.424 3.490 -0.548) 4.920 27.039 ( 0.402 -0.735 -1.444) 1.669 ======================= Grid point 270 (130/205) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -14.089 3.120 -1.310) 14.490 1.335 ( -11.364 0.190 13.390) 17.563 1.740 ( 1.179 -2.616 6.061) 6.706 1.930 ( -4.744 -1.800 -2.053) 5.473 2.274 ( -0.890 2.491 2.841) 3.882 2.442 ( -3.946 3.577 4.132) 6.740 2.545 ( -0.273 -2.168 7.783) 8.084 2.855 ( -2.206 1.166 -0.156) 2.500 3.093 ( 1.499 2.260 1.880) 3.300 3.328 ( 0.536 -2.139 1.170) 2.496 3.641 ( 1.119 6.279 2.173) 6.738 3.928 ( 1.359 -0.002 -7.751) 7.869 4.305 ( -3.347 -6.746 7.063) 10.324 4.390 ( -1.382 -3.526 4.754) 6.078 5.119 ( -2.727 -1.927 3.644) 4.943 5.277 ( -0.363 3.141 8.289) 8.872 6.088 ( 1.453 -0.013 -5.482) 5.671 6.252 ( 2.885 0.955 -4.759) 5.646 6.377 ( 1.538 2.277 -3.445) 4.407 6.669 ( 3.347 1.432 -5.666) 6.735 7.387 ( -0.363 -0.166 -4.400) 4.418 7.457 ( 0.868 -0.661 -4.572) 4.701 8.250 ( -9.101 -1.398 23.611) 25.343 8.971 ( -1.076 0.493 0.595) 1.325 9.554 ( -7.848 -2.003 23.748) 25.091 10.903 ( 2.800 -0.776 -6.278) 6.918 11.694 ( 1.176 -0.857 -0.185) 1.467 11.780 ( 5.494 0.564 -11.101) 12.399 12.488 ( -0.608 0.520 1.353) 1.571 12.647 ( 1.312 -0.468 -4.195) 4.420 13.751 ( -0.397 -0.214 1.553) 1.617 13.832 ( 0.618 0.613 -1.644) 1.860 18.604 ( 0.981 3.569 -2.365) 4.392 18.729 ( 1.729 0.129 -2.637) 3.156 19.877 ( -2.453 -0.475 10.157) 10.460 20.177 ( 2.697 -1.470 3.228) 4.456 21.644 ( 0.700 1.046 -2.942) 3.200 22.180 ( 6.156 -0.421 -21.776) 22.633 26.423 ( -1.687 -3.878 1.421) 4.461 26.636 ( -2.604 -0.317 -1.993) 3.295 26.876 ( 0.510 5.261 -0.919) 5.365 27.057 ( 2.633 -0.363 -1.839) 3.232 ======================= Grid point 271 (131/205) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -7.346 -3.553 5.421) 9.797 1.261 ( -8.911 -1.770 15.041) 17.572 1.798 ( -0.712 -2.909 -3.594) 4.678 1.847 ( -5.158 -3.343 1.458) 6.317 2.238 ( -2.752 4.547 4.751) 7.129 2.367 ( -4.994 5.553 9.201) 11.850 2.577 ( -2.778 -3.296 5.350) 6.870 2.798 ( -2.188 3.881 1.371) 4.662 3.128 ( 2.516 1.624 0.906) 3.129 3.383 ( 3.503 -3.012 -0.681) 4.670 3.662 ( 3.726 5.320 4.298) 7.788 3.904 ( 0.833 0.077 -5.268) 5.334 4.324 ( -4.348 -5.405 5.585) 8.906 4.406 ( -3.039 -2.186 4.751) 6.049 5.115 ( -2.858 -3.348 4.238) 6.111 5.297 ( -0.348 3.582 6.472) 7.405 6.073 ( 1.151 0.708 -5.807) 5.962 6.265 ( 3.671 1.547 -5.798) 7.035 6.382 ( 2.601 0.155 -2.765) 3.799 6.665 ( 1.990 1.702 -6.207) 6.737 7.366 ( 0.712 -1.026 -4.095) 4.282 7.444 ( 0.708 0.044 -4.198) 4.258 8.252 ( -9.529 -1.252 23.189) 25.101 8.961 ( -0.342 0.473 0.885) 1.060 9.588 ( -7.529 -1.762 23.294) 24.544 10.919 ( 3.145 -0.753 -6.464) 7.228 11.712 ( 0.399 -0.788 -0.203) 0.906 11.796 ( 4.957 0.453 -10.632) 11.739 12.485 ( -0.420 0.233 1.340) 1.424 12.643 ( 1.177 -0.167 -4.279) 4.441 13.753 ( -0.622 0.274 1.777) 1.902 13.829 ( 0.805 0.289 -1.916) 2.098 18.586 ( 1.382 3.226 -1.599) 3.857 18.726 ( 0.498 0.545 -3.279) 3.361 19.899 ( -3.257 -0.351 10.616) 11.110 20.266 ( 3.760 -2.446 1.792) 4.831 21.625 ( 0.247 0.810 -3.410) 3.513 22.145 ( 6.144 0.251 -21.409) 22.274 26.419 ( -4.416 -4.140 2.522) 6.558 26.583 ( -0.625 -0.080 -3.886) 3.937 26.830 ( -0.784 5.625 1.139) 5.793 27.089 ( 2.342 -0.184 -3.800) 4.468 ======================= Grid point 272 (132/205) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 3.967 -7.694 9.553) 12.892 1.230 ( -6.603 -1.546 8.826) 11.130 1.715 ( -6.246 -3.351 -1.949) 7.351 1.800 ( -5.446 2.814 5.353) 8.138 2.221 ( -0.848 0.429 7.301) 7.362 2.331 ( -3.694 2.683 10.571) 11.515 2.594 ( 0.416 -2.437 1.458) 2.870 2.738 ( -2.309 5.373 1.558) 6.052 3.156 ( 1.518 0.834 0.104) 1.735 3.469 ( 5.178 -2.864 -2.626) 6.474 3.735 ( 4.415 3.519 6.197) 8.383 3.890 ( 0.581 -0.011 -3.071) 3.126 4.312 ( -4.610 -4.112 4.511) 7.649 4.378 ( -4.392 0.107 4.265) 6.123 5.123 ( -2.931 -4.330 4.730) 7.051 5.293 ( -1.317 4.382 5.953) 7.508 6.050 ( 1.642 0.824 -6.053) 6.325 6.273 ( 2.847 1.258 -6.452) 7.164 6.419 ( 3.151 -0.960 -2.796) 4.321 6.635 ( 0.803 1.561 -6.821) 7.043 7.375 ( 2.060 -1.710 -3.710) 4.575 7.430 ( 1.111 0.684 -4.251) 4.447 8.244 ( -9.481 -0.624 23.068) 24.948 8.964 ( 0.386 0.382 1.066) 1.197 9.615 ( -8.010 -1.187 22.836) 24.229 10.935 ( 3.058 -0.507 -6.683) 7.367 11.714 ( -0.630 -0.533 -0.348) 0.895 11.804 ( 4.100 0.227 -10.044) 10.851 12.487 ( -0.255 0.028 1.366) 1.390 12.635 ( 1.124 0.055 -4.316) 4.460 13.749 ( -0.808 0.499 1.778) 2.016 13.830 ( 0.929 0.027 -1.923) 2.135 18.588 ( 1.987 1.938 -0.648) 2.850 18.700 ( -0.413 0.743 -3.504) 3.606 19.905 ( -4.290 -0.161 10.489) 11.333 20.335 ( 1.020 -2.132 0.701) 2.466 21.602 ( 0.203 0.419 -3.280) 3.313 22.122 ( 7.869 0.540 -21.607) 23.001 26.362 ( -6.024 -1.243 3.777) 7.218 26.591 ( 3.436 -1.548 -3.974) 5.476 26.796 ( -0.935 3.758 3.477) 5.204 27.076 ( -0.349 0.361 -5.325) 5.349 ======================= Grid point 275 (133/205) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 6.530 0.000 13.145) 14.678 1.630 ( -3.159 -0.000 7.314) 7.967 1.858 ( 6.371 0.000 11.363) 13.027 1.867 ( 0.062 0.000 0.803) 0.806 2.160 ( 2.095 0.000 -1.493) 2.573 2.266 ( -6.738 -0.000 9.314) 11.496 2.643 ( -0.604 -0.000 0.330) 0.688 2.740 ( -1.566 -0.000 0.241) 1.585 3.247 ( 0.882 0.000 -1.288) 1.561 3.433 ( -4.977 -0.000 -1.532) 5.208 3.866 ( -3.767 -0.000 5.321) 6.519 3.943 ( 4.343 0.000 -7.693) 8.834 4.209 ( -2.982 -0.000 1.174) 3.205 4.303 ( -1.975 -0.000 6.194) 6.501 5.138 ( -1.655 -0.000 5.153) 5.412 5.253 ( -2.665 -0.000 7.261) 7.735 6.121 ( 3.050 0.000 -5.924) 6.663 6.226 ( 0.709 0.000 -3.225) 3.302 6.471 ( 1.203 0.000 -3.947) 4.127 6.564 ( 4.696 0.000 -7.140) 8.546 7.402 ( 1.879 0.000 -4.423) 4.806 7.469 ( 2.094 0.000 -4.394) 4.868 8.228 ( -9.249 -0.000 23.953) 25.677 9.025 ( -0.177 -0.000 0.411) 0.448 9.537 ( -10.860 -0.000 23.360) 25.761 10.920 ( 1.265 0.000 -6.241) 6.368 11.628 ( 0.040 0.000 -0.420) 0.422 11.766 ( 3.646 0.000 -10.972) 11.562 12.515 ( -0.430 -0.000 1.593) 1.650 12.620 ( 1.732 0.000 -3.922) 4.288 13.731 ( -0.567 -0.000 1.216) 1.342 13.844 ( 0.690 0.000 -1.262) 1.438 18.640 ( 1.950 0.000 -2.529) 3.193 18.679 ( 0.890 0.000 -1.801) 2.009 19.825 ( -3.513 -0.000 8.186) 8.908 20.165 ( -4.251 -0.000 3.471) 5.488 21.628 ( 1.909 0.000 -0.648) 2.016 22.192 ( 9.222 0.000 -22.864) 24.653 26.369 ( 0.056 0.000 3.403) 3.403 26.708 ( -0.959 -0.000 2.772) 2.933 26.859 ( 1.583 0.000 -3.480) 3.823 26.961 ( 2.781 0.000 0.924) 2.931 ======================= Grid point 276 (134/205) ======================= q-point: (-0.67 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.775 0.369 11.712) 12.653 1.570 ( -7.689 0.758 5.773) 9.645 1.844 ( -2.837 2.040 0.950) 3.621 2.023 ( 2.637 -0.166 9.918) 10.264 2.197 ( 1.465 -0.037 1.503) 2.099 2.234 ( -2.006 -3.423 5.230) 6.565 2.621 ( -0.595 3.140 -0.310) 3.211 2.737 ( 0.922 -2.721 0.086) 2.875 3.226 ( -2.031 1.062 -1.240) 2.606 3.354 ( -4.077 -0.391 0.609) 4.141 3.826 ( -3.039 3.132 4.017) 5.932 3.957 ( 3.076 -0.164 -7.891) 8.471 4.169 ( -3.329 -2.656 1.003) 4.375 4.310 ( -1.944 -0.511 5.964) 6.293 5.134 ( -2.388 0.708 5.310) 5.865 5.266 ( -2.208 -0.387 8.678) 8.963 6.121 ( 1.910 0.480 -6.227) 6.531 6.224 ( 1.078 -0.525 -2.753) 3.002 6.460 ( 1.315 1.410 -4.381) 4.787 6.609 ( 5.472 -0.184 -6.417) 8.435 7.408 ( 1.697 -0.746 -4.102) 4.502 7.469 ( 1.245 0.067 -4.721) 4.883 8.227 ( -9.210 -0.222 24.436) 26.115 9.017 ( -0.945 0.085 0.316) 1.000 9.511 ( -10.072 -0.340 23.694) 25.748 10.902 ( 1.259 -0.078 -6.089) 6.218 11.635 ( 0.970 -0.234 -0.268) 1.033 11.763 ( 4.595 0.241 -11.527) 12.412 12.514 ( -0.707 0.393 1.484) 1.691 12.626 ( 1.807 -0.418 -3.955) 4.369 13.732 ( -0.323 -0.274 1.148) 1.223 13.846 ( 0.586 0.237 -1.156) 1.317 18.662 ( 2.249 0.319 -2.214) 3.172 18.681 ( 1.322 0.205 -2.521) 2.854 19.827 ( -2.652 -0.164 8.580) 8.981 20.127 ( -2.778 0.026 3.473) 4.448 21.653 ( 1.750 0.410 -0.993) 2.053 22.197 ( 8.332 -0.395 -22.526) 24.021 26.384 ( -0.802 -0.542 2.664) 2.835 26.704 ( -1.236 0.209 1.658) 2.078 26.877 ( 3.560 1.545 -2.597) 4.670 27.006 ( 1.427 -1.194 0.208) 1.872 ======================= Grid point 277 (135/205) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -3.914 1.668 -0.588) 4.295 1.468 ( -8.023 1.009 7.110) 10.767 1.755 ( -7.277 3.266 7.672) 11.067 2.014 ( -5.606 2.315 3.528) 7.017 2.251 ( 0.861 -1.362 3.908) 4.228 2.324 ( 3.688 -6.843 3.570) 8.554 2.592 ( 0.497 4.790 1.507) 5.046 2.805 ( 3.372 -3.280 0.414) 4.722 3.159 ( -3.229 2.133 -0.400) 3.890 3.313 ( -2.603 -0.534 2.754) 3.827 3.775 ( -1.454 6.186 2.902) 6.986 3.949 ( 2.369 -0.267 -9.344) 9.644 4.162 ( -2.733 -6.277 3.270) 7.587 4.322 ( -1.920 -1.712 5.565) 6.131 5.119 ( -2.999 -0.074 5.068) 5.889 5.289 ( -1.682 1.141 9.802) 10.011 6.104 ( 1.299 0.378 -6.176) 6.322 6.235 ( 1.742 -0.448 -2.164) 2.814 6.440 ( 1.406 2.294 -4.917) 5.605 6.659 ( 4.939 0.566 -5.707) 7.569 7.411 ( 0.780 -0.627 -3.930) 4.055 7.452 ( 0.658 -0.544 -5.370) 5.438 8.230 ( -9.212 -0.493 24.558) 26.234 8.998 ( -1.377 0.238 0.446) 1.467 9.508 ( -8.782 -0.915 23.953) 25.529 10.890 ( 1.828 -0.351 -6.073) 6.352 11.657 ( 1.397 -0.499 -0.214) 1.498 11.771 ( 5.398 0.368 -11.731) 12.919 12.506 ( -0.849 0.605 1.376) 1.727 12.634 ( 1.696 -0.606 -4.077) 4.457 13.738 ( -0.059 -0.349 1.162) 1.215 13.845 ( 0.412 0.445 -1.131) 1.283 18.666 ( 1.504 2.159 -2.909) 3.922 18.702 ( 2.461 -0.549 -2.367) 3.458 19.845 ( -2.157 -0.280 9.274) 9.525 20.121 ( -0.730 -0.335 3.673) 3.759 21.665 ( 1.185 0.772 -1.802) 2.291 22.192 ( 7.439 -0.614 -22.219) 23.439 26.385 ( -1.542 -1.287 2.102) 2.907 26.681 ( -2.164 0.185 0.043) 2.172 26.918 ( 4.290 2.010 -2.251) 5.245 27.028 ( 0.822 -0.669 -0.592) 1.214 ======================= Grid point 278 (136/205) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -12.447 4.221 -6.694) 14.749 1.366 ( -8.990 3.418 10.850) 14.499 1.712 ( -2.516 -1.265 7.583) 8.090 1.898 ( -8.591 -2.390 -1.022) 8.975 2.293 ( 0.550 0.616 3.718) 3.809 2.415 ( -1.477 -4.999 3.410) 6.229 2.593 ( 1.144 6.169 6.020) 8.695 2.849 ( -1.056 -1.753 -0.362) 2.078 3.126 ( 1.731 2.249 0.662) 2.914 3.308 ( -0.597 -0.742 3.207) 3.346 3.737 ( 0.704 7.090 2.984) 7.725 3.926 ( 1.674 -0.277 -8.757) 8.920 4.200 ( -2.102 -7.700 4.454) 9.141 4.341 ( -1.731 -3.013 4.940) 6.040 5.099 ( -3.566 -0.941 4.875) 6.113 5.317 ( -0.918 2.269 9.604) 9.911 6.088 ( 1.503 0.019 -5.771) 5.964 6.259 ( 2.131 0.086 -1.417) 2.561 6.414 ( 1.574 2.581 -5.507) 6.283 6.689 ( 3.624 1.284 -5.450) 6.669 7.386 ( -0.544 0.167 -4.360) 4.397 7.441 ( 1.057 -1.556 -5.327) 5.650 8.234 ( -9.333 -0.809 24.300) 26.043 8.978 ( -1.091 0.390 0.708) 1.357 9.529 ( -7.771 -1.322 23.987) 25.249 10.892 ( 2.614 -0.683 -6.167) 6.732 11.682 ( 1.178 -0.716 -0.249) 1.401 11.787 ( 5.618 0.431 -11.598) 12.894 12.496 ( -0.790 0.552 1.327) 1.640 12.639 ( 1.504 -0.537 -4.213) 4.505 13.749 ( 0.072 -0.161 1.302) 1.314 13.840 ( 0.294 0.499 -1.261) 1.388 18.653 ( 1.514 3.135 -3.169) 4.708 18.728 ( 1.982 -0.292 -2.761) 3.411 19.872 ( -2.289 -0.311 9.974) 10.238 20.156 ( 1.489 -1.299 3.770) 4.256 21.659 ( 0.494 0.923 -2.680) 2.878 22.174 ( 6.750 -0.362 -21.916) 22.934 26.380 ( -2.031 -2.159 2.048) 3.603 26.631 ( -3.046 -0.287 -1.597) 3.451 26.941 ( 2.066 3.786 -2.147) 4.818 27.049 ( 2.237 -0.712 -1.555) 2.816 ======================= Grid point 279 (137/205) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -10.464 1.506 0.467) 10.582 1.278 ( -7.062 4.248 13.672) 15.963 1.741 ( -2.604 -5.567 -6.135) 8.684 1.784 ( -5.163 -4.692 5.153) 8.673 2.292 ( -2.480 2.694 3.857) 5.318 2.404 ( -4.627 -1.239 4.781) 6.767 2.589 ( -1.825 5.246 7.334) 9.200 2.829 ( -1.100 0.366 0.805) 1.411 3.160 ( 3.021 2.711 0.013) 4.059 3.347 ( 2.284 -1.962 1.446) 3.340 3.744 ( 2.814 6.099 4.501) 8.086 3.904 ( 1.131 -0.201 -6.205) 6.311 4.238 ( -2.868 -6.454 4.064) 8.149 4.364 ( -1.944 -3.410 3.854) 5.501 5.079 ( -3.595 -1.704 5.342) 6.660 5.341 ( -0.965 2.584 8.048) 8.508 6.080 ( 1.754 0.286 -5.718) 5.987 6.283 ( 1.949 0.755 -1.112) 2.368 6.395 ( 2.332 1.548 -5.503) 6.174 6.691 ( 2.108 1.718 -5.903) 6.499 7.353 ( 0.124 -0.577 -4.322) 4.362 7.437 ( 1.194 -1.079 -5.073) 5.322 8.235 ( -9.444 -0.939 23.897) 25.712 8.968 ( -0.294 0.529 0.913) 1.095 9.564 ( -7.453 -1.491 23.727) 24.914 10.907 ( 3.110 -0.862 -6.366) 7.138 11.700 ( 0.467 -0.838 -0.323) 1.013 11.803 ( 5.096 0.459 -11.204) 12.317 12.489 ( -0.604 0.327 1.314) 1.483 12.639 ( 1.366 -0.316 -4.294) 4.517 13.757 ( -0.101 0.285 1.536) 1.565 13.834 ( 0.398 0.327 -1.527) 1.611 18.635 ( 1.481 3.442 -2.755) 4.651 18.733 ( 0.881 0.284 -3.395) 3.519 19.894 ( -3.056 -0.286 10.411) 10.854 20.229 ( 2.482 -2.590 3.114) 4.750 21.637 ( -0.013 0.852 -3.238) 3.349 22.149 ( 6.822 0.311 -21.618) 22.671 26.372 ( -2.962 -2.422 2.887) 4.793 26.574 ( -1.909 -0.913 -3.167) 3.809 26.911 ( -0.228 5.431 -0.554) 5.464 27.082 ( 2.252 -0.821 -3.411) 4.169 ======================= Grid point 280 (138/205) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 1.489 -6.663 10.214) 12.286 1.239 ( -3.668 3.261 9.284) 10.501 1.647 ( -6.315 -6.099 -2.736) 9.196 1.815 ( -0.881 -1.054 2.457) 2.815 2.239 ( -4.292 1.902 6.841) 8.297 2.358 ( -5.149 0.492 7.216) 8.878 2.589 ( 1.200 1.888 3.712) 4.334 2.803 ( -1.842 3.323 1.257) 4.002 3.179 ( 1.657 2.405 -0.295) 2.935 3.425 ( 4.388 -3.024 -0.623) 5.365 3.793 ( 3.211 4.307 5.628) 7.781 3.889 ( 0.658 -0.109 -3.569) 3.631 4.248 ( -3.344 -4.807 3.233) 6.689 4.363 ( -3.125 -2.005 3.205) 4.905 5.074 ( -3.075 -2.522 6.056) 7.245 5.345 ( -1.752 2.936 6.640) 7.469 6.065 ( 1.774 1.231 -6.135) 6.504 6.293 ( 1.439 1.370 -2.630) 3.296 6.406 ( 2.922 -0.606 -4.045) 5.027 6.662 ( 0.866 1.994 -6.711) 7.054 7.351 ( 1.793 -1.516 -3.810) 4.475 7.433 ( 1.528 -0.317 -5.036) 5.272 8.234 ( -9.222 -0.678 23.556) 25.306 8.972 ( 0.438 0.602 0.997) 1.244 9.595 ( -7.906 -1.455 23.274) 24.623 10.925 ( 3.123 -0.793 -6.625) 7.367 11.704 ( -0.463 -0.769 -0.425) 0.993 11.808 ( 4.147 0.340 -10.628) 11.414 12.488 ( -0.404 0.063 1.339) 1.400 12.636 ( 1.304 -0.016 -4.315) 4.508 13.759 ( -0.491 0.769 1.651) 1.886 13.831 ( 0.653 0.020 -1.691) 1.813 18.623 ( 1.606 2.787 -1.781) 3.677 18.712 ( -0.057 0.910 -3.636) 3.748 19.902 ( -4.098 -0.185 10.343) 11.127 20.296 ( 0.685 -3.031 2.178) 3.795 21.609 ( -0.097 0.586 -3.227) 3.281 22.132 ( 8.122 0.822 -21.713) 23.197 26.346 ( -3.979 -0.854 3.973) 5.687 26.561 ( 1.651 -2.504 -3.707) 4.768 26.863 ( -1.193 5.199 1.762) 5.617 27.080 ( 0.119 0.002 -4.769) 4.770 ======================= Grid point 281 (139/205) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 1.813 -7.111 8.376) 11.136 1.220 ( 2.144 2.504 1.919) 3.814 1.605 ( -4.252 -2.937 6.423) 8.244 1.788 ( -2.745 3.033 5.373) 6.753 2.240 ( -2.037 -2.387 7.780) 8.389 2.327 ( -3.286 0.587 6.142) 6.991 2.639 ( 3.125 0.224 1.631) 3.532 2.738 ( -2.907 4.164 0.782) 5.138 3.183 ( 0.898 1.337 -0.338) 1.646 3.518 ( 4.667 -2.871 -1.939) 5.812 3.845 ( 0.778 2.106 6.684) 7.051 3.880 ( 0.894 -0.161 -3.677) 3.787 4.248 ( -2.072 -3.609 2.464) 4.836 4.333 ( -3.927 -0.244 4.120) 5.697 5.086 ( -2.460 -2.765 6.140) 7.169 5.327 ( -2.457 3.333 6.044) 7.326 6.054 ( 2.745 0.951 -6.413) 7.041 6.280 ( 0.764 1.569 -3.391) 3.813 6.437 ( 2.438 -1.510 -3.615) 4.614 6.613 ( 0.492 1.944 -7.183) 7.458 7.380 ( 2.797 -1.587 -3.755) 4.944 7.429 ( 1.840 0.257 -5.044) 5.375 8.235 ( -8.781 -0.270 23.252) 24.856 8.985 ( 0.838 0.501 1.006) 1.402 9.610 ( -8.974 -1.101 22.970) 24.685 10.937 ( 2.824 -0.572 -6.805) 7.390 11.690 ( -1.254 -0.453 -0.575) 1.452 11.803 ( 3.269 0.036 -10.077) 10.594 12.492 ( -0.242 -0.157 1.426) 1.455 12.629 ( 1.305 0.272 -4.260) 4.463 13.752 ( -0.729 0.902 1.563) 1.947 13.833 ( 0.742 -0.152 -1.645) 1.811 18.628 ( 1.721 1.377 -0.946) 2.399 18.679 ( -0.132 1.262 -3.410) 3.638 19.891 ( -4.872 -0.024 9.760) 10.908 20.313 ( -2.560 -2.128 2.292) 4.042 21.589 ( 0.325 0.168 -2.642) 2.668 22.137 ( 9.693 0.807 -22.443) 24.460 26.316 ( -2.426 0.527 4.406) 5.058 26.610 ( 3.575 -3.637 -2.902) 5.867 26.825 ( -1.561 3.287 3.619) 5.132 27.031 ( -1.367 1.503 -4.962) 5.362 ======================= Grid point 285 (140/205) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -2.478 -0.000 -1.282) 2.790 1.474 ( -7.813 -0.000 5.916) 9.800 1.782 ( -7.958 -0.000 7.863) 11.188 2.040 ( -7.724 -0.000 3.977) 8.688 2.249 ( 2.132 0.000 6.578) 6.915 2.254 ( 4.054 0.000 1.254) 4.244 2.634 ( 0.636 0.000 0.599) 0.874 2.774 ( 3.843 0.000 1.240) 4.038 3.176 ( -2.990 -0.000 -1.097) 3.185 3.308 ( -2.732 -0.000 3.301) 4.285 3.829 ( -1.202 -0.000 4.141) 4.312 3.946 ( 2.404 0.000 -9.615) 9.911 4.109 ( -2.947 -0.000 1.250) 3.201 4.309 ( -2.288 -0.000 5.874) 6.304 5.119 ( -3.514 -0.000 5.430) 6.468 5.297 ( -1.325 -0.000 10.105) 10.191 6.107 ( 1.215 0.000 -6.465) 6.579 6.232 ( 1.699 0.000 -1.484) 2.256 6.457 ( 1.353 0.000 -5.173) 5.346 6.663 ( 5.268 0.000 -5.775) 7.816 7.406 ( 1.483 0.000 -4.209) 4.463 7.448 ( -0.040 -0.000 -5.109) 5.109 8.227 ( -9.280 -0.000 24.720) 26.405 9.000 ( -1.380 -0.000 0.508) 1.470 9.501 ( -8.816 -0.000 23.960) 25.531 10.888 ( 1.724 0.000 -6.022) 6.263 11.653 ( 1.379 0.000 -0.211) 1.395 11.774 ( 5.418 0.000 -11.885) 13.061 12.510 ( -0.922 -0.000 1.404) 1.680 12.630 ( 1.779 0.000 -4.101) 4.470 13.736 ( 0.048 0.000 1.119) 1.120 13.848 ( 0.365 0.000 -1.064) 1.125 18.688 ( 1.829 0.000 -3.504) 3.953 18.692 ( 2.430 0.000 -1.970) 3.128 19.843 ( -2.116 -0.000 9.247) 9.486 20.118 ( -0.977 -0.000 3.720) 3.846 21.671 ( 1.110 0.000 -1.650) 1.988 22.187 ( 7.582 0.000 -22.332) 23.584 26.376 ( -1.655 -0.000 2.211) 2.762 26.682 ( -2.412 -0.000 0.266) 2.426 26.933 ( 4.598 0.000 -3.220) 5.613 27.023 ( 0.956 0.000 0.068) 0.958 ======================= Grid point 287 (141/205) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -9.549 2.644 -10.516) 14.448 1.403 ( -5.289 1.217 7.653) 9.382 1.708 ( -6.995 0.451 10.439) 12.574 1.868 ( -12.547 -1.506 -0.649) 12.653 2.305 ( 1.447 1.588 4.149) 4.672 2.346 ( 0.396 -4.121 4.114) 5.837 2.666 ( 3.180 3.191 3.061) 5.447 2.820 ( -1.251 -1.667 0.812) 2.236 3.151 ( 1.752 1.061 0.202) 2.058 3.301 ( -1.200 -0.288 4.400) 4.570 3.829 ( 0.302 4.794 3.771) 6.106 3.921 ( 2.020 -0.390 -9.896) 10.107 4.103 ( -1.383 -4.862 2.747) 5.753 4.311 ( -2.021 -1.097 5.128) 5.620 5.091 ( -4.015 -0.232 5.647) 6.933 5.339 ( -1.188 0.806 10.315) 10.414 6.088 ( 1.432 0.037 -6.035) 6.203 6.258 ( 1.809 -0.062 0.039) 1.810 6.441 ( 1.446 1.051 -6.012) 6.272 6.703 ( 3.745 0.531 -5.334) 6.539 7.395 ( 0.049 1.087 -4.739) 4.862 7.416 ( 0.516 -1.797 -5.320) 5.639 8.227 ( -9.423 -0.221 24.659) 26.399 8.982 ( -1.074 0.147 0.774) 1.332 9.517 ( -7.674 -0.430 23.996) 25.197 10.885 ( 2.493 -0.270 -6.091) 6.587 11.675 ( 1.176 -0.277 -0.279) 1.240 11.792 ( 5.711 0.159 -11.925) 13.223 12.502 ( -0.939 0.251 1.325) 1.643 12.633 ( 1.648 -0.251 -4.233) 4.550 13.747 ( 0.340 -0.060 1.174) 1.223 13.845 ( 0.117 0.190 -1.052) 1.075 18.690 ( 1.976 1.876 -3.856) 4.722 18.719 ( 1.918 -0.842 -2.496) 3.259 19.869 ( -2.173 -0.094 9.865) 10.101 20.143 ( 0.777 -0.518 4.065) 4.171 21.668 ( 0.305 0.367 -2.464) 2.510 22.171 ( 7.187 -0.143 -22.071) 23.212 26.360 ( -2.006 -0.662 2.126) 2.997 26.628 ( -3.487 -0.111 -1.254) 3.707 26.982 ( 3.890 1.733 -3.296) 5.385 27.038 ( 1.038 -0.709 -0.775) 1.476 ======================= Grid point 288 (142/205) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -9.907 4.920 -5.490) 12.349 1.363 ( -3.586 6.504 10.733) 13.052 1.655 ( -7.646 -5.198 -4.442) 10.258 1.717 ( -5.066 -4.858 5.989) 9.227 2.317 ( -2.284 1.037 3.601) 4.389 2.367 ( -2.982 -2.764 3.880) 5.620 2.681 ( -1.745 6.505 5.050) 8.418 2.812 ( -0.193 -2.506 1.290) 2.825 3.197 ( 3.683 2.224 -0.109) 4.304 3.327 ( 0.940 -0.926 3.319) 3.572 3.830 ( 1.537 5.706 4.184) 7.241 3.899 ( 1.376 -0.402 -6.848) 6.996 4.147 ( -0.775 -6.065 2.584) 6.638 4.321 ( -1.565 -2.246 3.444) 4.399 5.063 ( -3.995 -0.609 6.287) 7.474 5.370 ( -1.668 1.403 9.176) 9.431 6.082 ( 2.098 0.081 -5.435) 5.827 6.287 ( 0.871 0.021 1.714) 1.923 6.419 ( 2.053 1.555 -6.849) 7.318 6.711 ( 1.973 1.004 -5.520) 5.948 7.351 ( -0.171 0.307 -4.972) 4.984 7.416 ( 1.577 -1.653 -5.324) 5.794 8.226 ( -9.394 -0.371 24.357) 26.108 8.974 ( -0.222 0.346 0.924) 1.012 9.548 ( -7.340 -0.748 23.813) 24.930 10.897 ( 3.073 -0.565 -6.279) 7.013 11.690 ( 0.517 -0.526 -0.400) 0.839 11.808 ( 5.247 0.283 -11.708) 12.833 12.494 ( -0.792 0.255 1.282) 1.528 12.635 ( 1.540 -0.278 -4.291) 4.567 13.761 ( 0.342 0.174 1.331) 1.385 13.838 ( 0.053 0.211 -1.192) 1.212 18.679 ( 1.581 2.658 -3.630) 4.769 18.732 ( 1.078 -0.490 -3.223) 3.434 19.891 ( -2.884 -0.112 10.202) 10.602 20.198 ( 1.546 -1.617 4.042) 4.620 21.647 ( -0.277 0.526 -3.046) 3.104 22.153 ( 7.411 0.214 -21.831) 23.055 26.348 ( -1.962 -1.000 2.681) 3.469 26.562 ( -2.903 -0.671 -2.523) 3.904 26.980 ( 0.576 4.225 -1.624) 4.563 27.064 ( 1.884 -1.774 -2.883) 3.874 ======================= Grid point 289 (143/205) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.088 1.201 7.603) 7.697 1.313 ( -3.436 5.881 5.107) 8.513 1.557 ( -4.812 -5.412 -0.012) 7.242 1.772 ( 2.139 -4.849 1.635) 5.547 2.265 ( -5.537 1.324 4.852) 7.480 2.346 ( -4.309 -1.542 4.708) 6.566 2.636 ( -1.139 3.892 4.106) 5.771 2.830 ( -0.973 0.719 2.306) 2.604 3.220 ( 1.691 3.063 -0.750) 3.579 3.388 ( 3.321 -2.059 1.204) 4.089 3.851 ( 1.522 3.754 4.388) 5.972 3.887 ( 0.806 -0.045 -3.190) 3.290 4.181 ( -1.305 -4.354 2.005) 4.968 4.328 ( -1.864 -2.632 1.916) 3.751 5.050 ( -3.315 -1.041 7.142) 7.943 5.377 ( -2.454 1.651 7.677) 8.227 6.082 ( 2.283 0.981 -5.585) 6.113 6.305 ( -0.138 0.241 1.953) 1.972 6.408 ( 2.722 0.788 -6.418) 7.015 6.686 ( 0.663 1.339 -6.336) 6.510 7.335 ( 1.636 -0.757 -4.379) 4.735 7.422 ( 2.015 -1.073 -5.484) 5.941 8.227 ( -9.038 -0.354 23.970) 25.620 8.980 ( 0.518 0.550 0.915) 1.186 9.577 ( -7.804 -0.994 23.469) 24.752 10.914 ( 3.188 -0.710 -6.559) 7.327 11.693 ( -0.291 -0.641 -0.501) 0.865 11.813 ( 4.237 0.302 -11.276) 12.050 12.489 ( -0.597 0.074 1.285) 1.419 12.635 ( 1.514 -0.102 -4.273) 4.535 13.770 ( -0.054 0.699 1.502) 1.657 13.831 ( 0.276 -0.021 -1.421) 1.448 18.663 ( 1.231 2.618 -2.779) 4.011 18.722 ( 0.259 0.286 -3.611) 3.631 19.900 ( -3.893 -0.090 10.126) 10.849 20.256 ( 0.364 -2.486 3.537) 4.339 21.617 ( -0.407 0.475 -3.135) 3.197 22.144 ( 8.394 0.716 -21.835) 23.404 26.339 ( -2.070 -0.075 3.738) 4.274 26.526 ( -0.104 -2.240 -3.285) 3.978 26.935 ( -1.436 4.655 0.307) 4.882 27.074 ( 0.644 -0.876 -4.055) 4.199 ======================= Grid point 290 (144/205) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 5.266 -2.712 12.772) 14.079 1.246 ( -0.807 0.158 -3.615) 3.708 1.572 ( 0.366 -0.430 7.933) 7.953 1.827 ( 0.952 1.714 1.308) 2.357 2.209 ( -4.652 -1.694 7.596) 9.067 2.325 ( -2.475 -0.847 4.732) 5.407 2.645 ( 1.193 0.406 2.302) 2.624 2.789 ( -3.664 2.952 1.668) 4.992 3.210 ( 0.140 2.279 -0.412) 2.320 3.476 ( 4.551 -2.770 -0.565) 5.358 3.872 ( 0.168 0.885 2.035) 2.226 3.880 ( -0.219 0.903 0.156) 0.942 4.199 ( -0.579 -3.010 1.377) 3.360 4.319 ( -2.751 -1.683 2.735) 4.229 5.057 ( -2.330 -1.317 7.385) 7.856 5.363 ( -3.072 1.814 6.596) 7.499 6.074 ( 2.617 1.803 -6.169) 6.940 6.302 ( -0.237 1.196 -0.227) 1.240 6.418 ( 2.231 -1.014 -4.346) 4.989 6.639 ( 0.188 1.538 -7.014) 7.183 7.359 ( 3.232 -1.317 -3.980) 5.293 7.428 ( 2.177 -0.350 -5.452) 5.881 8.231 ( -8.593 -0.176 23.566) 25.084 8.993 ( 0.837 0.612 0.836) 1.332 9.594 ( -8.739 -1.041 23.113) 24.732 10.928 ( 2.939 -0.679 -6.817) 7.454 11.683 ( -0.955 -0.486 -0.593) 1.225 11.804 ( 3.227 0.078 -10.726) 11.201 12.489 ( -0.426 -0.188 1.345) 1.423 12.633 ( 1.540 0.228 -4.201) 4.480 13.767 ( -0.515 1.145 1.449) 1.917 13.830 ( 0.509 -0.289 -1.459) 1.572 18.651 ( 1.047 1.791 -1.783) 2.735 18.696 ( 0.044 0.968 -3.442) 3.576 19.890 ( -4.665 0.012 9.612) 10.684 20.280 ( -2.160 -2.308 3.235) 4.523 21.592 ( 0.002 0.203 -2.695) 2.703 22.150 ( 9.578 0.899 -22.228) 24.221 26.329 ( -1.365 1.294 4.153) 4.559 26.552 ( 2.565 -4.180 -2.782) 5.638 26.877 ( -2.720 3.656 2.209) 5.064 27.049 ( -0.189 0.990 -4.186) 4.306 ======================= Grid point 291 (145/205) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -2.441 1.526 2.386) 3.739 1.335 ( 8.212 -3.888 6.023) 10.901 1.645 ( 2.214 3.002 9.808) 10.494 1.810 ( -1.537 3.464 4.599) 5.959 2.231 ( -1.641 -3.307 7.124) 8.024 2.323 ( -1.429 1.015 2.907) 3.395 2.681 ( -0.027 -1.030 1.383) 1.724 2.711 ( -2.753 1.755 1.515) 3.599 3.199 ( 0.113 0.582 0.228) 0.635 3.551 ( 2.262 -1.856 -1.458) 3.269 3.851 ( -1.848 -0.514 -0.452) 1.971 3.888 ( 0.800 -0.170 0.003) 0.818 4.228 ( 0.586 -2.300 1.526) 2.822 4.301 ( -3.070 -0.289 5.207) 6.051 5.078 ( -1.731 -1.279 6.683) 7.021 5.335 ( -3.380 2.027 6.029) 7.203 6.073 ( 3.362 1.173 -6.473) 7.388 6.282 ( 0.117 1.748 -2.090) 2.728 6.434 ( 1.218 -1.861 -3.277) 3.960 6.591 ( 0.904 1.415 -7.086) 7.282 7.398 ( 3.322 -0.643 -4.172) 5.372 7.432 ( 2.377 -0.025 -5.127) 5.652 8.237 ( -8.568 0.100 23.309) 24.834 9.008 ( 0.785 0.444 0.697) 1.140 9.591 ( -9.722 -0.741 22.953) 24.938 10.935 ( 2.499 -0.534 -6.873) 7.333 11.663 ( -1.174 -0.107 -0.664) 1.353 11.787 ( 2.705 -0.313 -10.334) 10.687 12.494 ( -0.319 -0.444 1.430) 1.531 12.630 ( 1.596 0.579 -4.072) 4.412 13.757 ( -0.712 1.186 1.322) 1.914 13.832 ( 0.552 -0.384 -1.389) 1.543 18.647 ( 0.698 0.826 -1.784) 2.086 18.673 ( 0.566 0.973 -2.511) 2.752 19.868 ( -4.823 0.174 8.878) 10.104 20.260 ( -4.145 -1.487 3.354) 5.535 21.583 ( 0.766 -0.212 -1.926) 2.084 22.167 ( 10.113 0.853 -22.658) 24.827 26.333 ( -0.005 1.624 4.101) 4.411 26.621 ( 3.144 -4.743 -1.787) 5.965 26.825 ( -3.177 1.479 3.210) 4.752 27.012 ( 0.582 3.056 -3.415) 4.619 ======================= Grid point 296 (146/205) ======================= q-point: (-0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -8.815 -0.000 -8.257) 12.078 1.418 ( -0.345 -0.000 8.295) 8.303 1.624 ( -12.130 -0.000 -3.733) 12.691 1.665 ( -4.846 -0.000 7.802) 9.185 2.325 ( -3.368 -0.000 4.127) 5.327 2.344 ( -1.219 -0.000 3.282) 3.501 2.754 ( -5.216 -0.000 1.305) 5.377 2.769 ( 3.782 0.000 4.053) 5.544 3.214 ( 3.956 0.000 -0.011) 3.956 3.320 ( 0.364 0.000 4.131) 4.147 3.881 ( 0.179 0.000 4.916) 4.920 3.894 ( 1.837 0.000 -8.018) 8.226 4.093 ( 0.592 0.000 1.964) 2.051 4.305 ( -1.523 -0.000 3.316) 3.649 5.059 ( -4.130 -0.000 6.629) 7.810 5.380 ( -1.950 -0.000 9.595) 9.792 6.083 ( 2.204 0.000 -5.338) 5.775 6.287 ( 0.522 0.000 2.478) 2.533 6.431 ( 1.959 0.000 -7.037) 7.304 6.718 ( 1.839 0.000 -5.327) 5.636 7.356 ( -0.483 -0.000 -5.532) 5.554 7.401 ( 1.979 0.000 -5.121) 5.490 8.224 ( -9.384 -0.000 24.506) 26.241 8.977 ( -0.188 -0.000 0.925) 0.943 9.542 ( -7.289 -0.000 23.795) 24.887 10.892 ( 3.058 0.000 -6.244) 6.952 11.686 ( 0.536 0.000 -0.427) 0.685 11.810 ( 5.311 0.000 -11.905) 13.036 12.496 ( -0.876 -0.000 1.269) 1.542 12.633 ( 1.615 0.000 -4.288) 4.582 13.762 ( 0.513 0.000 1.251) 1.352 13.839 ( -0.080 -0.000 -1.061) 1.064 18.703 ( 1.917 0.000 -4.733) 5.107 18.723 ( 0.833 0.000 -2.314) 2.459 19.891 ( -2.817 -0.000 10.112) 10.497 20.186 ( 1.216 0.000 4.361) 4.527 21.651 ( -0.389 -0.000 -2.963) 2.988 22.155 ( 7.642 0.000 -21.921) 23.215 26.341 ( -1.590 -0.000 2.527) 2.986 26.557 ( -3.287 -0.000 -2.271) 3.995 27.030 ( 3.362 0.000 -3.919) 5.164 27.031 ( -0.740 -0.000 -0.712) 1.027 ======================= Grid point 298 (147/205) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -0.053 2.984 3.420) 4.539 1.350 ( -10.386 -0.819 -0.908) 10.457 1.553 ( 4.069 5.061 4.035) 7.645 1.684 ( 1.279 -6.853 3.180) 7.662 2.275 ( -5.176 0.198 3.115) 6.045 2.328 ( -3.571 -0.707 4.415) 5.722 2.680 ( -3.450 1.844 2.426) 4.603 2.832 ( 0.128 -0.150 3.876) 3.881 3.254 ( 1.591 1.417 -0.973) 2.342 3.368 ( 2.552 -0.758 2.437) 3.609 3.879 ( 1.075 0.143 -4.387) 4.519 3.902 ( -0.501 1.744 5.036) 5.353 4.131 ( 1.200 -2.187 1.097) 2.725 4.299 ( -1.414 -1.172 1.212) 2.200 5.041 ( -3.494 -0.263 7.763) 8.517 5.393 ( -2.987 0.550 8.376) 8.910 6.092 ( 2.771 0.380 -5.060) 5.782 6.304 ( -0.992 -0.177 4.015) 4.140 6.421 ( 2.485 0.672 -7.282) 7.724 6.699 ( 0.366 0.406 -5.940) 5.965 7.329 ( 1.423 -0.112 -5.011) 5.210 7.408 ( 2.532 -0.656 -5.559) 6.144 8.224 ( -8.975 -0.086 24.180) 25.792 8.986 ( 0.581 0.223 0.859) 1.061 9.568 ( -7.747 -0.332 23.475) 24.723 10.906 ( 3.226 -0.283 -6.517) 7.278 11.687 ( -0.184 -0.246 -0.548) 0.629 11.816 ( 4.309 0.122 -11.688) 12.457 12.490 ( -0.740 0.034 1.238) 1.443 12.633 ( 1.659 -0.061 -4.230) 4.544 13.777 ( 0.307 0.288 1.395) 1.457 13.830 ( -0.039 -0.024 -1.235) 1.236 18.694 ( 1.119 1.673 -3.743) 4.250 18.719 ( 0.319 -0.604 -3.072) 3.147 19.899 ( -3.769 -0.014 9.952) 10.641 20.230 ( 0.187 -0.947 4.288) 4.395 21.622 ( -0.594 0.179 -3.064) 3.126 22.151 ( 8.564 0.281 -21.916) 23.532 26.341 ( -0.764 0.125 3.464) 3.549 26.502 ( -1.363 -0.920 -3.001) 3.422 26.989 ( -2.204 2.604 -0.383) 3.433 27.057 ( 1.603 -1.265 -3.637) 4.171 ======================= Grid point 299 (148/205) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 7.194 3.153 12.667) 14.905 1.208 ( -5.182 -4.929 -5.119) 8.795 1.613 ( 4.181 5.611 6.350) 9.449 1.822 ( 7.065 -2.632 0.909) 7.594 2.195 ( -6.769 -0.395 5.028) 8.442 2.309 ( -2.604 -1.174 4.969) 5.732 2.647 ( -1.524 -0.055 1.993) 2.510 2.821 ( -3.429 1.578 3.385) 5.070 3.241 ( -0.766 1.822 -0.818) 2.139 3.444 ( 4.257 -1.664 0.278) 4.579 3.873 ( 0.846 -0.106 -2.606) 2.742 3.900 ( -2.311 1.121 4.202) 4.925 4.168 ( 1.055 -1.319 0.690) 1.825 4.291 ( -1.687 -1.889 1.325) 2.859 5.046 ( -2.379 -0.456 8.309) 8.655 5.381 ( -3.741 0.737 7.283) 8.221 6.099 ( 2.885 1.530 -5.542) 6.433 6.309 ( -1.025 -0.071 2.798) 2.981 6.413 ( 1.895 0.257 -5.657) 5.971 6.655 ( -0.223 0.621 -6.728) 6.760 7.344 ( 3.385 -0.737 -4.470) 5.656 7.422 ( 2.730 -0.438 -5.541) 6.193 8.230 ( -8.474 -0.048 23.779) 25.244 9.001 ( 0.843 0.425 0.691) 1.170 9.582 ( -8.568 -0.576 23.133) 24.675 10.920 ( 3.031 -0.457 -6.831) 7.488 11.678 ( -0.698 -0.303 -0.611) 0.976 11.805 ( 3.197 0.073 -11.280) 11.724 12.487 ( -0.595 -0.130 1.265) 1.404 12.635 ( 1.747 0.108 -4.128) 4.484 13.783 ( -0.230 0.932 1.419) 1.713 13.825 ( 0.221 -0.374 -1.373) 1.440 18.676 ( 0.596 1.614 -2.532) 3.061 18.704 ( 0.080 0.063 -3.240) 3.241 19.891 ( -4.491 0.033 9.442) 10.455 20.252 ( -1.846 -1.453 3.963) 4.607 21.594 ( -0.250 0.140 -2.719) 2.734 22.160 ( 9.486 0.576 -22.087) 24.045 26.351 ( -0.216 1.661 4.174) 4.497 26.497 ( 1.375 -3.265 -2.915) 4.588 26.922 ( -3.761 2.404 1.055) 4.587 27.058 ( 0.947 0.273 -3.451) 3.589 ======================= Grid point 300 (149/205) ======================= q-point: (-0.22 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -1.418 1.258 2.694) 3.294 1.280 ( 8.642 -3.515 7.271) 11.828 1.697 ( 5.210 4.044 5.560) 8.626 1.885 ( -0.173 6.547 3.302) 7.335 2.172 ( -2.102 -4.719 7.294) 8.938 2.323 ( 0.184 -0.931 2.835) 2.990 2.648 ( -0.950 -2.809 0.602) 3.026 2.749 ( -5.007 2.773 3.165) 6.540 3.208 ( -1.513 0.686 0.500) 1.735 3.523 ( 3.385 -1.927 -1.307) 4.108 3.850 ( -3.229 0.264 -0.764) 3.329 3.884 ( 0.530 -0.451 -0.504) 0.859 4.202 ( 1.556 -1.123 1.063) 2.194 4.289 ( -1.896 -1.288 4.080) 4.680 5.068 ( -1.633 -0.351 7.812) 7.988 5.353 ( -4.127 0.596 6.422) 7.657 6.098 ( 3.001 2.167 -6.091) 7.128 6.303 ( -0.175 0.995 -0.751) 1.258 6.411 ( 0.633 -1.226 -2.920) 3.230 6.606 ( 0.354 0.621 -6.957) 6.993 7.386 ( 4.024 -0.916 -4.368) 6.010 7.434 ( 2.657 0.173 -5.159) 5.806 8.238 ( -8.354 0.146 23.454) 24.898 9.015 ( 0.686 0.428 0.478) 0.939 9.581 ( -9.315 -0.535 22.915) 24.742 10.927 ( 2.652 -0.507 -6.997) 7.500 11.662 ( -0.830 -0.067 -0.647) 1.054 11.783 ( 2.566 -0.245 -10.825) 11.128 12.488 ( -0.484 -0.391 1.339) 1.476 12.638 ( 1.815 0.439 -4.021) 4.433 13.775 ( -0.607 1.315 1.191) 1.875 13.825 ( 0.348 -0.600 -1.244) 1.425 18.661 ( 0.347 1.039 -1.906) 2.198 18.684 ( 0.145 0.447 -2.762) 2.801 19.870 ( -4.638 0.170 8.775) 9.927 20.239 ( -3.651 -1.290 3.686) 5.345 21.581 ( 0.514 -0.133 -2.086) 2.152 22.179 ( 9.922 0.714 -22.273) 24.394 26.363 ( 0.543 2.590 3.826) 4.652 26.550 ( 2.769 -4.991 -1.734) 5.965 26.849 ( -4.264 1.665 2.423) 5.179 27.047 ( 1.287 1.921 -2.920) 3.724 ======================= Grid point 301 (150/205) ======================= q-point: (-0.11 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.664 1.835 4.249) 4.676 1.498 ( 6.374 -1.555 10.704) 12.555 1.776 ( 1.651 2.118 3.131) 4.125 1.850 ( 0.976 5.877 8.345) 10.253 2.212 ( -4.121 -3.795 7.506) 9.367 2.348 ( 2.193 3.187 -0.361) 3.885 2.622 ( -4.137 -1.751 -0.717) 4.549 2.717 ( 0.064 -1.156 3.300) 3.498 3.196 ( -0.990 -1.139 1.725) 2.292 3.540 ( -1.453 0.015 -2.178) 2.618 3.790 ( -3.443 -2.549 -0.901) 4.378 3.905 ( 3.228 -0.510 -3.971) 5.143 4.245 ( 0.912 -0.736 2.902) 3.130 4.296 ( -1.646 0.149 5.903) 6.130 5.088 ( -1.551 -0.181 6.490) 6.675 5.319 ( -4.149 0.360 6.178) 7.450 6.096 ( 3.061 1.339 -6.244) 7.082 6.282 ( 0.585 1.612 -3.601) 3.988 6.412 ( -0.245 -2.113 -1.612) 2.669 6.578 ( 1.974 0.431 -6.657) 6.957 7.426 ( 3.249 0.059 -4.323) 5.408 7.444 ( 2.657 0.213 -4.910) 5.587 8.242 ( -8.672 0.463 23.419) 24.977 9.023 ( 0.270 0.194 0.247) 0.414 9.568 ( -9.815 -0.075 22.944) 24.955 10.927 ( 2.159 -0.403 -6.869) 7.212 11.645 ( -0.470 0.307 -0.621) 0.837 11.762 ( 2.738 -0.647 -10.614) 10.981 12.492 ( -0.449 -0.649 1.400) 1.607 12.639 ( 1.827 0.772 -3.916) 4.389 13.762 ( -0.728 1.299 1.146) 1.879 13.828 ( 0.415 -0.662 -1.228) 1.456 18.649 ( 0.415 0.488 -2.036) 2.134 18.670 ( 0.323 0.128 -2.042) 2.072 19.848 ( -4.201 0.349 8.277) 9.288 20.201 ( -4.345 -0.879 3.490) 5.642 21.588 ( 1.346 -0.524 -1.461) 2.055 22.198 ( 9.741 0.817 -22.317) 24.364 26.381 ( 0.923 2.462 3.328) 4.241 26.625 ( 2.634 -5.030 -0.944) 5.756 26.794 ( -3.263 0.517 3.238) 4.625 27.040 ( 1.865 2.923 -2.280) 4.150 ======================= Grid point 307 (151/205) ======================= q-point: ( 0.56 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 9.504 0.000 11.902) 15.231 1.155 ( -8.203 -0.000 -4.544) 9.377 1.679 ( 2.355 0.000 2.077) 3.140 1.781 ( 12.033 0.000 4.124) 12.720 2.193 ( -6.880 -0.000 2.735) 7.404 2.299 ( -3.099 -0.000 5.757) 6.538 2.646 ( -2.767 -0.000 1.717) 3.256 2.833 ( -3.212 -0.000 4.192) 5.281 3.255 ( -1.168 -0.000 -1.039) 1.564 3.432 ( 4.109 0.000 0.558) 4.147 3.872 ( 0.861 0.000 -2.749) 2.881 3.908 ( -2.943 -0.000 4.084) 5.034 4.159 ( 1.969 0.000 0.513) 2.035 4.275 ( -1.392 -0.000 0.718) 1.567 5.043 ( -2.424 -0.000 8.671) 9.004 5.386 ( -4.041 -0.000 7.577) 8.587 6.111 ( 3.137 0.000 -5.264) 6.128 6.307 ( -1.297 -0.000 3.723) 3.942 6.417 ( 1.642 0.000 -5.948) 6.170 6.659 ( -0.409 -0.000 -6.583) 6.596 7.338 ( 3.389 0.000 -4.745) 5.831 7.418 ( 3.009 0.000 -5.508) 6.276 8.230 ( -8.438 -0.000 23.849) 25.297 9.004 ( 0.847 0.000 0.635) 1.059 9.578 ( -8.507 -0.000 23.119) 24.635 10.916 ( 3.066 0.000 -6.839) 7.494 11.675 ( -0.597 -0.000 -0.619) 0.860 11.806 ( 3.186 0.000 -11.495) 11.928 12.486 ( -0.664 -0.000 1.232) 1.400 12.636 ( 1.830 0.000 -4.094) 4.485 13.790 ( -0.034 -0.000 1.527) 1.528 13.821 ( 0.027 0.000 -1.460) 1.461 18.692 ( 0.530 0.000 -3.372) 3.413 18.700 ( -0.014 -0.000 -2.566) 2.566 19.891 ( -4.425 -0.000 9.363) 10.356 20.241 ( -1.730 -0.000 4.228) 4.569 21.595 ( -0.342 -0.000 -2.724) 2.746 22.165 ( 9.452 0.000 -22.041) 23.983 26.367 ( 0.544 0.000 4.644) 4.675 26.471 ( 0.591 0.000 -3.431) 3.482 26.940 ( -4.321 -0.000 0.595) 4.362 27.059 ( 1.551 0.000 -3.122) 3.486 ======================= Grid point 309 (152/205) ======================= q-point: (-0.33 0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -2.689 0.886 -2.546) 3.808 1.241 ( 10.940 -1.660 13.434) 17.404 1.746 ( 5.707 2.199 0.911) 6.183 1.977 ( 5.644 5.414 4.122) 8.841 2.103 ( -5.347 -4.435 5.622) 8.937 2.306 ( -0.180 -0.976 4.473) 4.582 2.615 ( -2.003 -1.366 0.342) 2.448 2.779 ( -5.653 1.166 4.165) 7.118 3.216 ( -2.557 0.314 0.266) 2.590 3.502 ( 3.816 -0.821 -1.321) 4.121 3.856 ( -4.416 0.439 0.368) 4.453 3.876 ( 1.087 -0.487 -2.128) 2.439 4.197 ( 2.137 0.111 0.845) 2.301 4.270 ( -1.092 -1.051 3.181) 3.524 5.065 ( -1.581 -0.029 8.651) 8.794 5.356 ( -4.779 0.046 6.707) 8.236 6.125 ( 2.992 1.219 -5.667) 6.523 6.308 ( -0.198 -0.082 0.052) 0.221 6.402 ( -0.065 -0.151 -2.725) 2.730 6.610 ( 0.051 0.101 -6.912) 6.913 7.376 ( 4.248 -0.418 -4.702) 6.351 7.436 ( 3.035 0.082 -4.956) 5.812 8.240 ( -8.211 0.072 23.515) 24.908 9.019 ( 0.610 0.179 0.341) 0.722 9.576 ( -9.045 -0.182 22.874) 24.598 10.922 ( 2.744 -0.209 -7.081) 7.597 11.661 ( -0.601 -0.019 -0.623) 0.866 11.781 ( 2.466 -0.089 -11.154) 11.424 12.484 ( -0.582 -0.156 1.291) 1.425 12.642 ( 1.951 0.157 -3.988) 4.443 13.792 ( -0.534 0.895 1.397) 1.743 13.816 ( 0.216 -0.610 -1.450) 1.588 18.674 ( -0.100 0.654 -2.301) 2.395 18.686 ( 0.100 -0.091 -2.546) 2.550 19.872 ( -4.518 0.071 8.692) 9.797 20.226 ( -3.345 -0.505 3.889) 5.154 21.580 ( 0.358 -0.040 -2.166) 2.195 22.186 ( 9.801 0.273 -22.068) 24.148 26.404 ( 1.129 2.694 4.656) 5.497 26.486 ( 2.177 -3.554 -2.576) 4.899 26.867 ( -4.742 0.667 1.857) 5.136 27.066 ( 1.647 0.647 -2.633) 3.173 ======================= Grid point 310 (153/205) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 1.788 0.076 1.689) 2.460 1.492 ( 7.773 0.342 12.784) 14.966 1.808 ( 0.059 2.403 -0.231) 2.415 1.947 ( 0.497 6.786 8.558) 10.933 2.151 ( -4.037 -4.627 8.309) 10.332 2.365 ( 4.338 -0.522 -0.446) 4.392 2.602 ( -1.547 -0.853 -0.755) 1.921 2.705 ( -3.996 -0.524 3.744) 5.501 3.182 ( -2.414 -0.676 2.379) 3.456 3.536 ( 0.449 -0.472 -2.291) 2.382 3.767 ( -5.051 -0.795 -1.991) 5.488 3.897 ( 3.278 -0.593 -4.270) 5.415 4.241 ( 2.118 0.301 2.312) 3.150 4.291 ( -0.857 -0.770 6.037) 6.146 5.091 ( -1.488 0.424 7.610) 7.766 5.315 ( -5.058 -0.656 6.107) 7.957 6.122 ( 2.484 1.958 -5.816) 6.621 6.298 ( 1.144 0.395 -5.529) 5.659 6.388 ( -1.566 -1.129 1.255) 2.303 6.580 ( 1.653 -0.014 -6.730) 6.931 7.418 ( 3.729 -0.652 -4.871) 6.169 7.453 ( 2.772 0.666 -4.335) 5.188 8.248 ( -8.403 0.342 23.356) 24.824 9.025 ( 0.099 0.129 0.042) 0.168 9.568 ( -9.222 0.050 22.852) 24.643 10.922 ( 2.363 -0.297 -7.052) 7.443 11.649 ( -0.209 0.238 -0.588) 0.668 11.754 ( 2.589 -0.434 -10.842) 11.156 12.485 ( -0.541 -0.401 1.365) 1.523 12.648 ( 1.951 0.447 -3.929) 4.410 13.780 ( -0.745 1.280 1.098) 1.844 13.817 ( 0.277 -0.858 -1.205) 1.505 18.652 ( -0.603 0.019 -1.869) 1.964 18.674 ( 0.502 0.348 -2.211) 2.294 19.852 ( -4.079 0.237 8.248) 9.205 20.190 ( -4.021 -0.581 3.502) 5.364 21.582 ( 1.196 -0.292 -1.644) 2.054 22.208 ( 9.628 0.489 -21.999) 24.019 26.424 ( 1.410 3.588 2.595) 4.647 26.552 ( 2.486 -5.151 -0.037) 5.719 26.804 ( -3.807 0.620 2.868) 4.806 27.072 ( 1.805 1.505 -2.326) 3.307 ======================= Grid point 311 (154/205) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 4.319 0.679 8.074) 9.182 1.626 ( -0.070 3.444 8.557) 9.224 1.745 ( -5.068 -2.462 5.555) 7.913 2.021 ( 2.911 4.303 5.874) 7.842 2.145 ( -2.957 -3.119 7.437) 8.589 2.401 ( 0.147 2.997 0.653) 3.071 2.551 ( -2.483 -0.117 -0.749) 2.596 2.735 ( 2.613 -2.820 0.965) 3.964 3.173 ( -2.387 -1.913 3.741) 4.833 3.485 ( -3.565 1.891 -3.020) 5.040 3.698 ( -3.517 -4.014 -2.028) 5.709 3.934 ( 4.310 -0.575 -6.446) 7.775 4.287 ( 0.421 1.348 6.168) 6.328 4.319 ( -0.276 0.679 5.578) 5.626 5.104 ( -1.396 0.705 5.800) 6.007 5.279 ( -4.846 -1.538 6.435) 8.201 6.112 ( 2.181 1.292 -5.763) 6.296 6.274 ( 1.632 0.611 -7.718) 7.912 6.381 ( -1.634 -1.857 1.636) 2.965 6.582 ( 3.316 -0.183 -6.357) 7.172 7.444 ( 2.356 -0.616 -4.815) 5.396 7.463 ( 2.425 1.194 -4.147) 4.951 8.249 ( -8.671 0.715 23.470) 25.031 9.022 ( -0.487 -0.137 -0.130) 0.523 9.556 ( -9.243 0.773 23.071) 24.866 10.916 ( 1.995 -0.167 -6.756) 7.046 11.645 ( 0.473 0.565 -0.497) 0.889 11.741 ( 3.472 -0.772 -10.771) 11.343 12.488 ( -0.560 -0.637 1.397) 1.635 12.650 ( 1.824 0.714 -3.909) 4.372 13.765 ( -0.821 1.238 1.197) 1.907 13.822 ( 0.460 -0.897 -1.293) 1.640 18.632 ( -0.761 -1.016 -1.865) 2.256 18.672 ( 1.220 0.493 -1.904) 2.314 19.839 ( -3.368 0.430 8.247) 8.919 20.150 ( -3.567 -0.465 3.269) 4.861 21.601 ( 1.767 -0.650 -1.421) 2.359 22.221 ( 9.039 0.721 -21.950) 23.749 26.434 ( 0.962 3.100 1.603) 3.620 26.631 ( 2.320 -4.404 0.676) 5.023 26.773 ( -1.772 -0.241 3.190) 3.657 27.072 ( 1.238 1.906 -2.156) 3.133 ======================= Grid point 318 (155/205) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 2.443 0.000 0.186) 2.450 1.496 ( 8.064 0.000 14.171) 16.304 1.829 ( 0.690 0.000 -2.163) 2.270 2.012 ( -1.659 -0.000 9.211) 9.359 2.102 ( -3.220 -0.000 8.007) 8.630 2.356 ( 4.402 0.000 0.209) 4.407 2.597 ( 1.602 0.000 -0.906) 1.841 2.701 ( -7.071 -0.000 3.950) 8.100 3.177 ( -2.849 -0.000 2.448) 3.756 3.532 ( 1.211 0.000 -2.380) 2.670 3.762 ( -5.785 -0.000 -2.115) 6.160 3.892 ( 3.413 0.000 -4.625) 5.748 4.247 ( 2.770 0.000 1.535) 3.167 4.282 ( -0.702 -0.000 6.544) 6.581 5.095 ( -1.397 -0.000 8.252) 8.369 5.309 ( -5.543 -0.000 5.978) 8.153 6.139 ( 2.294 0.000 -5.510) 5.968 6.298 ( 1.486 0.000 -6.889) 7.048 6.380 ( -2.250 -0.000 2.891) 3.664 6.580 ( 1.573 0.000 -6.806) 6.985 7.413 ( 3.816 0.000 -5.051) 6.330 7.458 ( 2.892 0.000 -4.129) 5.041 8.251 ( -8.287 -0.000 23.319) 24.748 9.026 ( 0.021 0.000 -0.036) 0.042 9.569 ( -8.972 -0.000 22.814) 24.515 10.919 ( 2.442 0.000 -7.123) 7.530 11.651 ( -0.103 -0.000 -0.555) 0.564 11.751 ( 2.524 0.000 -10.955) 11.242 12.482 ( -0.573 -0.000 1.360) 1.475 12.651 ( 1.997 0.000 -3.937) 4.415 13.793 ( -1.038 -0.000 1.830) 2.104 13.808 ( 0.510 0.000 -1.950) 2.015 18.652 ( -1.021 -0.000 -1.925) 2.179 18.677 ( 0.588 0.000 -2.147) 2.226 19.854 ( -4.029 -0.000 8.236) 9.169 20.186 ( -3.896 -0.000 3.505) 5.241 21.580 ( 1.135 0.000 -1.702) 2.046 22.211 ( 9.585 0.000 -21.893) 23.899 26.480 ( 1.723 0.000 6.583) 6.804 26.484 ( 2.242 0.000 -3.893) 4.492 26.809 ( -3.959 -0.000 2.654) 4.766 27.082 ( 1.787 0.000 -2.332) 2.938 ======================= Grid point 319 (156/205) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 5.087 0.041 5.548) 7.528 1.666 ( 2.476 0.998 10.134) 10.480 1.740 ( -7.471 1.591 3.987) 8.616 2.025 ( -8.932 -2.268 4.493) 10.252 2.141 ( 6.621 1.551 9.103) 11.363 2.410 ( 0.567 -0.565 1.684) 1.864 2.584 ( -4.791 3.674 1.146) 6.145 2.682 ( 4.473 -4.052 -0.987) 6.116 3.156 ( -2.853 -0.566 4.592) 5.435 3.507 ( -1.740 1.043 -3.079) 3.687 3.655 ( -4.797 -1.694 -3.641) 6.256 3.926 ( 4.465 -0.329 -6.508) 7.899 4.304 ( 2.419 0.974 3.631) 4.470 4.323 ( -0.548 -0.188 8.541) 8.560 5.117 ( -1.405 0.798 6.849) 7.037 5.255 ( -5.513 -1.280 5.749) 8.068 6.132 ( 1.565 1.128 -5.182) 5.529 6.273 ( 2.427 -0.514 -11.543) 11.806 6.366 ( -2.941 -0.343 5.573) 6.310 6.579 ( 3.232 -0.146 -6.513) 7.272 7.435 ( 2.514 -0.392 -5.325) 5.902 7.476 ( 2.312 0.522 -3.554) 4.272 8.256 ( -8.422 0.309 23.266) 24.746 9.020 ( -0.629 -0.068 -0.276) 0.690 9.564 ( -8.668 0.370 22.953) 24.538 10.914 ( 2.211 -0.081 -6.896) 7.242 11.651 ( 0.586 0.256 -0.436) 0.774 11.732 ( 3.412 -0.335 -10.817) 11.348 12.482 ( -0.588 -0.235 1.408) 1.544 12.658 ( 1.848 0.257 -3.949) 4.368 13.781 ( -1.143 0.876 1.602) 2.154 13.809 ( 0.644 -0.739 -1.729) 1.988 18.620 ( -1.427 -0.456 -1.731) 2.289 18.678 ( 1.140 0.230 -1.846) 2.182 19.843 ( -3.317 0.177 8.283) 8.924 20.145 ( -3.382 -0.193 3.193) 4.655 21.595 ( 1.699 -0.234 -1.551) 2.312 22.229 ( 9.010 0.261 -21.792) 23.582 26.481 ( 1.569 3.050 -1.509) 3.747 26.570 ( 2.336 -3.579 4.290) 6.055 26.772 ( -2.369 0.022 2.797) 3.666 27.090 ( 1.021 0.655 -2.344) 2.639 ======================= Grid point 320 (157/205) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 1.456 -0.714 8.248) 8.406 1.593 ( -9.927 1.014 6.799) 12.074 1.730 ( -2.945 3.215 7.516) 8.689 1.954 ( -4.149 -7.145 1.911) 8.481 2.261 ( 1.899 4.942 8.046) 9.632 2.427 ( 0.850 0.231 4.817) 4.896 2.502 ( -3.401 -0.108 0.240) 3.411 2.782 ( 5.169 -2.327 -2.042) 6.025 3.133 ( -4.599 -1.159 5.043) 6.922 3.426 ( -2.945 3.355 -2.980) 5.367 3.598 ( -2.577 -4.773 -2.739) 6.076 3.953 ( 3.537 -0.307 -7.654) 8.437 4.350 ( -1.716 2.808 11.697) 12.151 4.365 ( 1.634 1.055 3.118) 3.675 5.127 ( -0.518 1.288 4.564) 4.771 5.223 ( -4.675 -2.661 6.638) 8.544 6.115 ( 1.377 1.109 -5.156) 5.450 6.248 ( 2.679 -1.024 -11.080) 11.445 6.356 ( -2.025 -0.845 3.539) 4.164 6.602 ( 3.968 -0.394 -6.161) 7.339 7.436 ( 1.121 -0.711 -5.280) 5.444 7.482 ( 1.552 0.929 -3.442) 3.888 8.259 ( -8.392 0.772 23.337) 24.813 9.005 ( -1.113 -0.315 -0.225) 1.178 9.561 ( -8.504 1.255 23.205) 24.746 10.908 ( 2.178 0.086 -6.564) 6.916 11.661 ( 1.212 0.565 -0.310) 1.373 11.735 ( 4.554 -0.623 -10.813) 11.750 12.483 ( -0.605 -0.453 1.411) 1.600 12.659 ( 1.585 0.469 -3.994) 4.323 13.766 ( -1.062 0.910 1.581) 2.111 13.816 ( 0.802 -0.834 -1.704) 2.060 18.594 ( -1.119 -1.515 -1.727) 2.555 18.689 ( 1.756 0.266 -1.672) 2.440 19.845 ( -2.676 0.389 8.789) 9.196 20.122 ( -1.788 -0.156 3.182) 3.654 21.617 ( 1.777 -0.574 -1.809) 2.600 22.232 ( 8.097 0.544 -21.862) 23.319 26.473 ( 0.963 2.919 -0.835) 3.185 26.654 ( 2.018 -2.213 2.413) 3.846 26.769 ( -0.356 -1.528 2.579) 3.019 27.075 ( -0.333 0.865 -2.377) 2.551 ======================= Grid point 328 (158/205) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 1.024 0.000 7.163) 7.236 1.595 ( -10.749 -0.000 7.902) 13.341 1.801 ( 2.712 0.000 6.676) 7.206 1.859 ( -9.130 -0.000 2.479) 9.461 2.313 ( 3.787 0.000 7.995) 8.847 2.411 ( -2.419 -0.000 4.704) 5.290 2.509 ( -4.088 -0.000 2.034) 4.566 2.760 ( 6.279 0.000 -3.052) 6.982 3.126 ( -4.709 -0.000 5.497) 7.239 3.461 ( -1.967 -0.000 -3.366) 3.899 3.554 ( -3.043 -0.000 -3.623) 4.731 3.950 ( 3.622 0.000 -7.554) 8.378 4.372 ( 2.768 0.000 2.073) 3.458 4.372 ( -2.044 -0.000 13.391) 13.546 5.142 ( -0.569 -0.000 5.324) 5.354 5.197 ( -4.714 -0.000 5.639) 7.350 6.127 ( 0.998 0.000 -4.625) 4.732 6.236 ( 2.967 0.000 -12.762) 13.103 6.352 ( -2.496 -0.000 4.870) 5.472 6.599 ( 3.921 0.000 -6.261) 7.387 7.430 ( 1.180 0.000 -5.498) 5.624 7.488 ( 1.343 0.000 -3.122) 3.398 8.265 ( -8.217 -0.000 23.152) 24.567 9.002 ( -1.154 -0.000 -0.290) 1.190 9.571 ( -8.212 -0.000 23.079) 24.496 10.909 ( 2.311 0.000 -6.620) 7.012 11.666 ( 1.211 0.000 -0.229) 1.232 11.730 ( 4.573 0.000 -10.814) 11.741 12.480 ( -0.598 -0.000 1.425) 1.545 12.662 ( 1.561 0.000 -4.012) 4.304 13.774 ( -1.430 -0.000 2.028) 2.482 13.809 ( 1.101 0.000 -2.176) 2.439 18.583 ( -1.488 -0.000 -1.550) 2.148 18.691 ( 1.651 0.000 -1.626) 2.317 19.848 ( -2.674 -0.000 8.840) 9.236 20.121 ( -1.661 -0.000 3.128) 3.541 21.613 ( 1.755 0.000 -1.866) 2.562 22.236 ( 8.098 0.000 -21.834) 23.287 26.499 ( 1.561 0.000 -3.180) 3.543 26.633 ( 2.476 0.000 5.245) 5.800 26.758 ( -1.319 -0.000 2.186) 2.553 27.081 ( -0.507 -0.000 -2.491) 2.542 ======================= Grid point 329 (159/205) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -10.030 -1.463 4.728) 11.184 1.470 ( -11.357 0.156 11.493) 16.159 1.770 ( 0.165 6.117 4.938) 7.863 1.903 ( 1.286 -6.229 2.396) 6.797 2.289 ( -4.999 2.991 1.514) 6.019 2.403 ( -5.098 -3.772 5.452) 8.363 2.548 ( 3.479 1.789 7.629) 8.573 2.827 ( 2.601 -1.437 -2.407) 3.825 3.068 ( -5.530 -0.562 5.360) 7.722 3.401 ( -0.980 3.126 -2.568) 4.163 3.524 ( -0.517 -3.696 -1.483) 4.016 3.949 ( 2.022 -0.067 -7.699) 7.961 4.405 ( -3.111 2.397 12.399) 13.006 4.418 ( 0.630 0.686 4.071) 4.176 5.159 ( -0.435 1.522 3.519) 3.859 5.185 ( -1.746 -2.291 5.980) 6.638 6.109 ( 0.753 0.617 -4.758) 4.856 6.219 ( 3.500 -1.285 -11.101) 11.710 6.346 ( -0.847 -0.213 2.146) 2.317 6.627 ( 3.735 -0.361 -6.014) 7.089 7.410 ( 0.506 -0.398 -5.294) 5.333 7.482 ( 0.360 0.328 -3.029) 3.068 8.272 ( -8.124 0.574 22.964) 24.365 8.981 ( -1.292 -0.221 0.020) 1.310 9.578 ( -8.034 0.926 23.137) 24.510 10.909 ( 2.630 0.173 -6.415) 6.935 11.686 ( 1.436 0.337 -0.079) 1.477 11.747 ( 5.344 -0.309 -10.786) 12.041 12.480 ( -0.548 -0.204 1.413) 1.529 12.659 ( 1.270 0.186 -4.080) 4.277 13.762 ( -1.242 0.338 1.973) 2.356 13.816 ( 1.149 -0.389 -2.173) 2.489 18.557 ( -0.814 -1.174 -1.336) 1.956 18.711 ( 1.862 0.028 -1.788) 2.582 19.864 ( -2.384 0.229 9.640) 9.933 20.135 ( 1.155 0.105 3.182) 3.386 21.627 ( 1.371 -0.341 -2.477) 2.851 22.222 ( 6.843 0.270 -21.958) 23.001 26.501 ( 1.672 2.017 -2.426) 3.570 26.682 ( -0.249 0.672 1.658) 1.806 26.764 ( -0.247 -2.955 1.839) 3.489 27.053 ( -0.374 0.189 -1.975) 2.019 ======================= Grid point 338 (160/205) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -11.242 -0.000 4.490) 12.105 1.374 ( -10.281 -0.000 15.044) 18.221 1.851 ( 1.305 0.000 4.169) 4.368 1.901 ( 0.151 0.000 -1.429) 1.437 2.206 ( -4.619 -0.000 0.227) 4.624 2.331 ( -7.489 -0.000 9.519) 12.112 2.649 ( 1.163 0.000 7.800) 7.887 2.785 ( -5.420 -0.000 -0.340) 5.431 3.056 ( 0.922 0.000 4.223) 4.323 3.400 ( 1.499 0.000 -2.481) 2.899 3.521 ( 1.803 0.000 1.364) 2.261 3.927 ( 0.886 0.000 -6.608) 6.667 4.430 ( -5.802 -0.000 14.672) 15.778 4.433 ( -0.602 -0.000 0.653) 0.888 5.177 ( -1.073 -0.000 6.376) 6.465 5.203 ( 0.604 0.000 1.780) 1.880 6.088 ( 0.267 0.000 -4.958) 4.965 6.217 ( 4.815 0.000 -9.841) 10.956 6.355 ( 1.196 0.000 0.113) 1.202 6.644 ( 2.941 0.000 -6.064) 6.739 7.387 ( 0.906 0.000 -4.915) 4.998 7.463 ( -0.393 -0.000 -2.820) 2.848 8.279 ( -8.618 -0.000 22.523) 24.116 8.962 ( -0.987 -0.000 0.456) 1.088 9.594 ( -7.710 -0.000 22.875) 24.139 10.917 ( 3.031 0.000 -6.408) 7.089 11.709 ( 1.107 0.000 0.044) 1.108 11.769 ( 5.426 0.000 -10.607) 11.914 12.480 ( -0.417 -0.000 1.386) 1.448 12.653 ( 1.073 0.000 -4.153) 4.289 13.756 ( -1.170 -0.000 2.046) 2.357 13.821 ( 1.197 0.000 -2.315) 2.606 18.539 ( 0.068 0.000 -0.801) 0.803 18.725 ( 1.268 0.000 -2.415) 2.728 19.887 ( -2.648 -0.000 10.399) 10.731 20.202 ( 4.434 0.000 2.392) 5.039 21.626 ( 0.808 0.000 -3.145) 3.247 22.188 ( 5.560 0.000 -21.782) 22.480 26.529 ( 2.753 0.000 -3.320) 4.313 26.638 ( -6.360 -0.000 -0.269) 6.366 26.752 ( -0.656 -0.000 2.039) 2.142 27.061 ( 2.551 0.000 -1.878) 3.167 ======================= Grid point 339 (161/205) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 8.905 0.000 5.950) 10.710 1.237 ( -11.085 -0.000 -4.992) 12.158 1.840 ( 0.759 0.000 4.897) 4.956 1.868 ( -4.995 -0.000 3.138) 5.899 2.347 ( 2.717 0.000 5.446) 6.086 2.413 ( -3.419 -0.000 -0.205) 3.425 2.649 ( -0.474 -0.000 3.034) 3.071 2.706 ( -1.823 -0.000 -1.235) 2.202 3.182 ( -2.042 -0.000 3.713) 4.237 3.321 ( 6.883 0.000 -9.984) 12.127 3.834 ( 4.716 0.000 5.575) 7.302 3.892 ( -2.400 -0.000 0.029) 2.400 4.372 ( -1.901 -0.000 1.926) 2.706 4.426 ( -1.990 -0.000 -1.934) 2.775 5.321 ( -5.068 -0.000 8.961) 10.294 5.378 ( 0.164 0.000 4.531) 4.534 5.929 ( 0.110 0.000 -3.375) 3.377 6.018 ( 5.951 0.000 -11.598) 13.036 6.455 ( 0.866 0.000 2.513) 2.658 6.517 ( -0.586 -0.000 -3.982) 4.024 7.348 ( 1.484 0.000 -0.511) 1.569 7.364 ( -0.540 -0.000 -2.014) 2.085 8.659 ( -7.388 -0.000 17.064) 18.595 8.901 ( 3.716 0.000 -7.432) 8.309 10.128 ( -10.046 -0.000 27.490) 29.268 10.644 ( 8.614 0.000 -22.504) 24.096 11.693 ( 1.397 0.000 -1.398) 1.977 11.701 ( -0.595 -0.000 -1.175) 1.317 12.519 ( -0.299 -0.000 1.930) 1.953 12.565 ( 0.521 0.000 -2.813) 2.861 13.773 ( -0.834 -0.000 1.114) 1.392 13.797 ( 0.972 0.000 -1.378) 1.686 18.586 ( 1.607 0.000 1.423) 2.146 18.629 ( -0.921 -0.000 -2.895) 3.038 20.130 ( -5.358 -0.000 11.137) 12.359 20.302 ( 3.779 0.000 -5.547) 6.712 21.585 ( -1.128 -0.000 2.957) 3.165 21.751 ( 4.543 0.000 -14.157) 14.868 26.445 ( -5.641 -0.000 3.808) 6.806 26.523 ( 4.911 0.000 -4.015) 6.343 26.860 ( 0.142 0.000 4.991) 4.993 26.964 ( -0.755 -0.000 -5.466) 5.518 ======================= Grid point 340 (162/205) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -7.743 0.258 -3.366) 8.447 1.331 ( 10.834 1.337 7.538) 13.266 1.804 ( -4.083 1.443 5.083) 6.677 1.875 ( 0.195 1.755 3.967) 4.342 2.332 ( -4.836 -0.499 -1.720) 5.157 2.419 ( 0.898 -0.562 5.419) 5.522 2.685 ( 0.416 -0.360 1.578) 1.672 2.700 ( 1.604 -1.127 1.931) 2.752 3.178 ( -0.769 -0.689 1.979) 2.233 3.380 ( 7.973 0.386 -11.086) 13.661 3.825 ( -3.916 -0.402 -3.930) 5.562 3.918 ( 2.047 -0.024 2.041) 2.890 4.359 ( -1.658 2.221 5.174) 5.870 4.395 ( -0.737 0.477 0.861) 1.229 5.290 ( -4.750 0.721 8.796) 10.022 5.404 ( -1.098 -1.216 4.226) 4.533 5.921 ( 1.615 -0.310 -4.196) 4.507 6.048 ( 5.294 -1.616 -10.916) 12.239 6.478 ( -0.509 0.028 0.421) 0.662 6.483 ( -0.371 -0.748 -1.459) 1.681 7.345 ( -0.017 0.221 -2.046) 2.058 7.369 ( 1.601 0.493 -0.548) 1.762 8.648 ( -6.799 -0.044 17.051) 18.356 8.919 ( 3.979 -0.046 -7.465) 8.459 10.126 ( -10.769 0.343 27.366) 29.411 10.643 ( 8.522 0.236 -22.965) 24.496 11.676 ( -1.314 0.190 -1.162) 1.764 11.698 ( 0.291 0.267 -1.182) 1.246 12.527 ( -0.223 0.101 2.006) 2.021 12.558 ( 0.703 -0.142 -2.699) 2.792 13.767 ( -0.790 -0.254 0.966) 1.274 13.804 ( 0.874 -0.068 -1.283) 1.554 18.600 ( -0.491 -0.442 -2.801) 2.878 18.623 ( 1.558 -0.362 1.107) 1.945 20.098 ( -6.345 0.121 10.134) 11.957 20.307 ( 1.024 0.471 -5.128) 5.251 21.593 ( -0.672 0.019 4.025) 4.081 21.751 ( 5.947 -0.433 -14.093) 15.303 26.399 ( -2.869 0.126 4.154) 5.050 26.588 ( 5.882 1.328 -2.999) 6.734 26.890 ( -1.009 -0.261 4.535) 4.653 26.914 ( -1.401 -1.605 -3.799) 4.356 ======================= Grid point 341 (163/205) ======================= q-point: ( 0.22 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.762 -1.206 1.510) 2.077 1.551 ( 10.454 1.838 8.522) 13.613 1.779 ( -0.705 1.582 1.950) 2.608 1.882 ( -0.176 1.281 3.675) 3.896 2.260 ( -3.896 -2.884 -0.549) 4.879 2.451 ( -1.238 0.376 5.825) 5.966 2.690 ( -1.741 -0.431 1.197) 2.156 2.747 ( 1.550 0.825 1.971) 2.639 3.196 ( 0.629 -1.526 1.604) 2.301 3.429 ( 6.362 0.918 -11.128) 12.851 3.739 ( -2.237 -0.915 -6.836) 7.250 3.928 ( -0.632 0.848 -1.057) 1.495 4.346 ( -1.751 3.356 6.150) 7.222 4.398 ( -0.393 0.840 3.461) 3.583 5.267 ( -3.878 0.395 8.253) 9.127 5.415 ( -1.771 -1.757 3.908) 4.636 5.932 ( 2.759 -0.340 -4.818) 5.563 6.074 ( 3.995 -1.847 -9.829) 10.770 6.454 ( -0.092 -0.910 -3.307) 3.431 6.492 ( -0.807 -0.482 2.666) 2.827 7.338 ( 0.792 -0.344 -1.962) 2.144 7.387 ( 1.534 1.009 -0.522) 1.909 8.647 ( -6.380 -0.234 17.116) 18.268 8.937 ( 3.775 0.039 -7.789) 8.656 10.109 ( -11.534 0.532 27.577) 29.896 10.637 ( 8.517 0.457 -23.383) 24.890 11.645 ( -1.266 0.117 -1.074) 1.664 11.684 ( -0.626 0.548 -1.174) 1.439 12.533 ( -0.284 0.481 1.684) 1.774 12.559 ( 0.952 -0.542 -2.242) 2.495 13.763 ( -0.689 -0.459 0.743) 1.112 13.810 ( 0.721 -0.058 -1.087) 1.306 18.587 ( 0.317 -0.999 -2.505) 2.716 18.651 ( 0.740 -0.124 0.641) 0.987 20.052 ( -6.050 0.036 8.961) 10.812 20.271 ( -1.006 0.716 -4.408) 4.578 21.609 ( -0.500 0.522 4.792) 4.846 21.775 ( 6.735 -1.048 -13.981) 15.554 26.394 ( -0.725 -0.106 3.382) 3.460 26.650 ( 4.680 3.043 -1.320) 5.736 26.860 ( -2.182 -1.090 -0.941) 2.614 26.931 ( 0.302 -2.444 2.425) 3.456 ======================= Grid point 342 (164/205) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 7.613 -0.931 6.711) 10.191 1.715 ( 1.786 2.678 6.386) 7.151 1.798 ( 6.124 0.706 -0.240) 6.169 1.923 ( 2.010 -3.216 3.373) 5.075 2.239 ( -1.894 -3.999 0.991) 4.535 2.451 ( -2.895 1.040 7.072) 7.712 2.628 ( -4.356 3.139 -0.861) 5.438 2.764 ( -0.109 0.131 0.514) 0.541 3.234 ( 0.840 -1.467 2.507) 3.023 3.429 ( 1.673 0.396 -8.282) 8.458 3.691 ( 1.885 0.336 -8.669) 8.878 3.888 ( -1.512 1.331 -1.912) 2.777 4.330 ( -1.812 2.514 5.026) 5.904 4.407 ( -0.606 0.887 3.811) 3.959 5.256 ( -3.236 0.119 7.420) 8.096 5.423 ( -1.789 -1.615 4.372) 4.992 5.954 ( 3.071 -0.453 -5.107) 5.977 6.081 ( 2.879 -0.897 -9.077) 9.564 6.447 ( 0.368 -0.585 -1.849) 1.974 6.495 ( -0.778 -0.710 1.475) 1.813 7.352 ( 1.490 -1.235 -1.576) 2.496 7.399 ( 1.270 1.215 -0.740) 1.907 8.653 ( -6.256 -0.447 17.391) 18.487 8.945 ( 3.320 0.202 -8.281) 8.924 10.084 ( -11.825 0.348 28.008) 30.404 10.627 ( 8.455 0.599 -23.597) 25.073 11.623 ( -0.515 -0.137 -1.008) 1.140 11.658 ( -0.888 0.679 -1.306) 1.719 12.533 ( -0.351 0.701 1.266) 1.489 12.568 ( 1.038 -0.754 -1.819) 2.225 13.760 ( -0.503 -0.555 0.469) 0.883 13.815 ( 0.511 0.061 -0.804) 0.954 18.592 ( 1.056 -1.228 -2.008) 2.580 18.656 ( -0.289 0.383 0.121) 0.495 20.015 ( -4.694 -0.205 8.275) 9.516 20.215 ( -1.715 0.746 -3.842) 4.273 21.626 ( -0.474 1.054 4.750) 4.888 21.810 ( 6.577 -1.425 -13.699) 15.263 26.410 ( 0.212 -0.356 1.966) 2.009 26.681 ( 2.401 3.232 0.045) 4.026 26.835 ( -1.715 -1.004 0.803) 2.143 26.976 ( 1.558 -2.372 0.824) 2.956 ======================= Grid point 343 (165/205) ======================= q-point: (-0.56 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 6.470 0.839 7.082) 9.629 1.714 ( -1.574 0.370 2.183) 2.717 1.874 ( -0.110 0.219 4.491) 4.497 2.024 ( 3.856 -3.232 -1.991) 5.411 2.267 ( 1.000 -2.022 4.674) 5.190 2.431 ( -4.307 -0.169 6.793) 8.045 2.529 ( -1.643 2.722 -3.253) 4.549 2.753 ( -0.063 0.419 -1.575) 1.632 3.264 ( -1.019 -1.005 3.897) 4.152 3.392 ( -0.823 0.012 -3.933) 4.018 3.664 ( 1.852 3.097 -7.443) 8.272 3.850 ( -0.355 0.479 -2.223) 2.302 4.322 ( -0.802 -0.242 2.786) 2.909 4.417 ( -0.141 -0.025 2.688) 2.692 5.251 ( -2.754 -0.086 6.844) 7.378 5.428 ( -2.243 -0.182 5.459) 5.905 5.973 ( 2.592 -0.466 -5.175) 5.807 6.072 ( 2.418 0.178 -8.428) 8.770 6.442 ( -1.003 0.046 0.793) 1.279 6.502 ( 1.200 -0.366 -1.187) 1.727 7.380 ( 1.466 -1.853 -1.364) 2.729 7.400 ( 0.637 1.357 -1.245) 1.948 8.663 ( -6.286 -0.587 17.779) 18.867 8.940 ( 2.812 0.416 -8.598) 9.056 10.066 ( -11.464 -0.306 28.489) 30.711 10.615 ( 8.467 0.485 -23.528) 25.009 11.617 ( 0.335 -0.181 -1.038) 1.106 11.635 ( -0.122 0.379 -1.508) 1.560 12.528 ( -0.527 0.723 1.352) 1.622 12.579 ( 1.031 -0.752 -2.012) 2.383 13.760 ( -0.251 -0.571 0.200) 0.655 13.816 ( 0.268 0.304 -0.502) 0.645 18.608 ( 0.918 -0.559 -1.316) 1.699 18.643 ( -0.294 0.495 -0.426) 0.716 20.005 ( -3.070 -0.478 8.357) 8.916 20.162 ( -1.151 0.635 -3.367) 3.614 21.637 ( -0.600 1.247 4.134) 4.359 21.838 ( 5.846 -1.379 -13.696) 14.955 26.426 ( 0.276 -0.564 0.587) 0.859 26.693 ( 1.010 1.851 0.717) 2.227 26.825 ( -0.659 -0.030 1.136) 1.314 27.016 ( 1.132 -1.481 -0.280) 1.885 ======================= Grid point 344 (166/205) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -1.951 0.408 0.722) 2.120 1.689 ( -4.357 -1.363 4.472) 6.391 1.865 ( -3.610 1.649 6.114) 7.289 2.014 ( -1.469 3.329 -2.583) 4.463 2.313 ( -2.079 -1.621 1.559) 3.063 2.459 ( 3.440 -3.731 3.728) 6.296 2.509 ( 1.544 0.349 -0.744) 1.749 2.756 ( 2.940 0.830 -2.725) 4.093 3.258 ( -4.014 -0.785 5.620) 6.951 3.359 ( -1.195 0.532 -1.142) 1.737 3.616 ( 0.190 4.735 -3.122) 5.675 3.843 ( 0.951 -0.575 -2.225) 2.487 4.345 ( 0.546 -3.385 0.734) 3.507 4.439 ( 0.778 -1.599 0.738) 1.925 5.253 ( -2.180 -0.299 6.606) 6.962 5.417 ( -2.977 1.754 6.620) 7.468 5.980 ( 2.060 -0.258 -5.406) 5.791 6.055 ( 2.164 1.153 -7.458) 7.850 6.424 ( -1.889 0.360 1.928) 2.723 6.524 ( 2.742 0.478 -2.631) 3.830 7.383 ( -0.322 1.375 -1.654) 2.175 7.405 ( 0.878 -1.848 -1.666) 2.638 8.674 ( -6.391 -0.647 18.017) 19.128 8.926 ( 2.404 0.595 -8.541) 8.893 10.066 ( -10.783 -1.053 28.788) 30.759 10.609 ( 8.695 0.109 -23.163) 24.742 11.615 ( 0.730 0.396 -1.644) 1.841 11.641 ( 1.479 -0.599 -1.231) 2.015 12.522 ( -0.704 0.634 1.557) 1.823 12.587 ( 0.912 -0.640 -2.368) 2.617 13.762 ( 0.021 -0.551 -0.023) 0.551 13.813 ( 0.037 0.600 -0.245) 0.649 18.597 ( -0.896 1.472 -0.288) 1.747 18.652 ( 1.591 -0.570 -1.226) 2.088 20.023 ( -1.851 -0.690 8.978) 9.193 20.131 ( 0.466 0.414 -2.881) 2.948 21.640 ( -0.961 1.134 3.364) 3.678 21.849 ( 4.950 -1.033 -14.158) 15.033 26.435 ( 0.184 -0.808 -0.406) 0.922 26.696 ( -0.460 0.023 0.561) 0.726 26.829 ( 0.872 1.286 0.679) 1.695 27.026 ( -0.235 -0.405 -1.130) 1.223 ======================= Grid point 345 (167/205) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -10.618 0.419 -3.848) 11.301 1.658 ( -5.993 -2.474 8.426) 10.632 1.824 ( -3.320 0.777 2.878) 4.462 1.948 ( -1.546 2.345 -2.352) 3.664 2.278 ( -1.176 1.367 -1.467) 2.325 2.499 ( -0.456 1.034 1.519) 1.893 2.611 ( 4.459 -5.014 2.919) 7.317 2.793 ( 3.687 1.243 -3.422) 5.182 3.225 ( -5.457 -0.603 8.663) 10.256 3.321 ( -1.196 1.295 -2.553) 3.102 3.585 ( 1.083 4.262 1.429) 4.624 3.857 ( 1.061 -0.922 -0.469) 1.482 4.387 ( 0.442 -4.596 -0.313) 4.628 4.471 ( 1.223 -3.084 -1.758) 3.755 5.265 ( -1.806 -0.712 6.682) 6.958 5.393 ( -2.741 2.967 7.100) 8.169 5.979 ( 2.231 0.205 -6.117) 6.514 6.034 ( 1.773 1.879 -6.303) 6.812 6.404 ( -1.468 0.633 2.199) 2.719 6.548 ( 2.752 0.979 -3.269) 4.384 7.353 ( -0.779 1.053 -1.667) 2.120 7.413 ( 0.096 -1.498 -2.035) 2.529 8.684 ( -6.596 -0.674 17.894) 19.083 8.907 ( 2.313 0.590 -8.204) 8.544 10.081 ( -10.285 -1.303 28.753) 30.565 10.613 ( 8.994 -0.275 -22.663) 24.384 11.622 ( 1.774 0.198 -2.010) 2.688 11.667 ( 1.862 -0.720 -1.114) 2.286 12.516 ( -0.746 0.455 1.702) 1.913 12.588 ( 0.713 -0.443 -2.642) 2.772 13.768 ( 0.257 -0.511 -0.172) 0.597 13.806 ( -0.150 0.829 -0.077) 0.846 18.569 ( -0.748 1.877 0.193) 2.030 18.674 ( 1.401 -0.286 -1.538) 2.100 20.062 ( -1.381 -0.799 9.827) 9.956 20.139 ( 2.763 0.112 -2.703) 3.867 21.631 ( -1.477 0.919 2.712) 3.222 21.839 ( 4.101 -0.594 -14.758) 15.328 26.441 ( 0.449 -1.143 -1.330) 1.810 26.681 ( -2.475 -1.599 0.229) 2.956 26.835 ( 0.852 2.843 0.469) 3.004 27.009 ( -0.065 0.260 -2.077) 2.094 ======================= Grid point 346 (168/205) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -7.522 -0.702 -1.670) 7.737 1.599 ( -9.714 -1.214 7.840) 12.542 1.789 ( -1.382 -3.979 -4.057) 5.848 1.916 ( -0.351 0.097 0.312) 0.480 2.255 ( 1.028 3.478 0.749) 3.703 2.480 ( -2.021 2.065 2.920) 4.108 2.700 ( -0.224 -3.837 1.812) 4.249 2.794 ( 0.240 2.027 -2.774) 3.444 3.202 ( -4.672 -0.409 9.860) 10.918 3.283 ( 1.451 1.045 -6.159) 6.413 3.616 ( 3.366 2.962 4.857) 6.610 3.883 ( 0.662 -0.624 1.822) 2.037 4.409 ( -1.042 -3.592 -0.624) 3.792 4.490 ( 0.175 -3.163 -3.703) 4.873 5.288 ( -1.679 -1.548 7.251) 7.602 5.377 ( -1.843 3.021 6.437) 7.345 5.978 ( 2.382 0.384 -6.174) 6.629 6.007 ( 1.828 2.558 -6.618) 7.327 6.400 ( -0.113 0.447 2.352) 2.397 6.557 ( 1.794 1.030 -3.742) 4.276 7.330 ( -0.212 0.254 -1.191) 1.237 7.405 ( -0.482 -0.950 -2.127) 2.379 8.687 ( -7.036 -0.558 17.482) 18.853 8.894 ( 2.597 0.404 -7.836) 8.265 10.100 ( -10.011 -0.958 28.414) 30.142 10.626 ( 9.081 -0.402 -22.291) 24.073 11.644 ( 2.351 -0.026 -2.053) 3.121 11.694 ( 1.478 -0.607 -1.069) 1.922 12.513 ( -0.643 0.246 1.778) 1.906 12.584 ( 0.540 -0.219 -2.796) 2.856 13.776 ( 0.294 -0.459 -0.100) 0.554 13.796 ( -0.154 0.880 -0.136) 0.904 18.552 ( -0.036 1.557 0.779) 1.742 18.679 ( 0.438 0.069 -2.070) 2.117 20.106 ( -2.066 -0.649 10.934) 11.146 20.186 ( 5.033 -0.260 -3.644) 6.219 21.613 ( -1.823 0.685 2.313) 3.024 21.811 ( 3.487 -0.200 -14.948) 15.350 26.452 ( 1.306 -1.374 -2.486) 3.127 26.630 ( -5.554 -1.815 0.543) 5.869 26.824 ( 0.247 3.387 1.747) 3.818 27.003 ( 1.532 0.300 -3.677) 3.994 ======================= Grid point 347 (169/205) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 2.551 -1.774 2.708) 4.122 1.447 ( -11.129 -0.700 -1.673) 11.276 1.796 ( -0.226 -3.173 2.330) 3.943 1.914 ( -1.781 -0.977 0.755) 2.167 2.278 ( 2.456 2.114 3.844) 5.028 2.450 ( -2.223 1.508 3.332) 4.280 2.679 ( -3.915 -1.237 0.494) 4.136 2.755 ( -1.815 1.610 -1.007) 2.627 3.193 ( -3.132 -0.128 6.758) 7.450 3.283 ( 4.643 0.320 -8.529) 9.716 3.712 ( 5.158 1.258 6.648) 8.508 3.904 ( -0.341 -0.161 2.480) 2.508 4.397 ( -2.143 -1.825 -0.309) 2.832 4.471 ( -1.577 -1.608 -3.681) 4.315 5.321 ( -2.398 -2.838 8.211) 9.013 5.365 ( -1.245 3.212 5.295) 6.317 5.958 ( -0.771 0.614 -2.764) 2.934 5.998 ( 5.661 1.673 -11.180) 12.643 6.422 ( 1.068 0.085 2.378) 2.608 6.546 ( 0.489 0.626 -3.981) 4.059 7.330 ( 0.833 -0.293 -0.705) 1.130 7.386 ( -0.689 -0.383 -2.008) 2.157 8.677 ( -7.512 -0.229 17.147) 18.722 8.891 ( 3.142 0.170 -7.578) 8.205 10.117 ( -9.830 -0.433 27.918) 29.601 10.638 ( 8.876 -0.253 -22.232) 23.939 11.672 ( 2.194 -0.112 -1.772) 2.822 11.708 ( 0.522 -0.330 -1.108) 1.268 12.514 ( -0.469 0.077 1.839) 1.899 12.575 ( 0.471 -0.050 -2.848) 2.887 13.779 ( -0.604 -0.124 1.009) 1.183 13.790 ( 0.760 0.421 -1.240) 1.514 18.558 ( 0.905 0.762 1.277) 1.741 18.661 ( -0.566 0.209 -2.604) 2.673 20.133 ( -3.657 -0.288 11.468) 12.041 20.253 ( 5.613 -0.378 -4.971) 7.507 21.594 ( -1.674 0.352 2.332) 2.893 21.776 ( 3.531 0.049 -14.568) 14.990 26.476 ( 2.638 -1.324 -3.356) 4.469 26.536 ( -6.828 -0.231 1.836) 7.075 26.830 ( 0.590 1.638 3.634) 4.030 26.997 ( 0.986 0.300 -5.150) 5.252 ======================= Grid point 349 (170/205) ======================= q-point: ( 0.11 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -0.074 -0.000 2.423) 2.424 1.564 ( 10.434 0.000 7.640) 12.932 1.788 ( -1.458 -0.000 4.398) 4.633 1.900 ( -0.915 -0.000 2.761) 2.909 2.233 ( -4.765 -0.000 -1.070) 4.883 2.454 ( -0.442 -0.000 4.759) 4.780 2.686 ( -0.723 -0.000 2.194) 2.310 2.754 ( 1.476 0.000 2.105) 2.571 3.184 ( 0.818 0.000 1.122) 1.389 3.436 ( 6.205 0.000 -11.168) 12.776 3.732 ( -1.788 -0.000 -7.537) 7.746 3.934 ( -0.301 -0.000 -1.178) 1.215 4.375 ( -2.723 -0.000 7.694) 8.161 4.401 ( -0.442 -0.000 3.184) 3.214 5.273 ( -3.536 -0.000 7.491) 8.284 5.398 ( -2.331 -0.000 4.905) 5.431 5.932 ( 3.363 0.000 -5.671) 6.593 6.059 ( 4.450 0.000 -9.756) 10.723 6.447 ( 0.086 0.000 -3.607) 3.609 6.489 ( -0.891 -0.000 2.729) 2.871 7.336 ( 0.499 0.000 -1.976) 2.038 7.394 ( 1.443 0.000 -0.418) 1.502 8.645 ( -6.409 -0.000 17.056) 18.221 8.937 ( 3.778 0.000 -7.644) 8.527 10.113 ( -11.599 -0.000 27.577) 29.917 10.640 ( 8.495 0.000 -23.313) 24.813 11.646 ( -1.371 -0.000 -1.078) 1.744 11.689 ( -0.651 -0.000 -1.101) 1.279 12.538 ( -0.210 -0.000 2.069) 2.080 12.554 ( 0.874 0.000 -2.602) 2.744 13.759 ( -0.737 -0.000 0.895) 1.159 13.810 ( 0.817 0.000 -1.223) 1.471 18.579 ( 0.370 0.000 -2.680) 2.706 18.650 ( 0.911 0.000 0.733) 1.170 20.052 ( -6.172 -0.000 9.057) 10.960 20.276 ( -1.051 -0.000 -4.499) 4.620 21.614 ( -0.380 -0.000 5.094) 5.108 21.767 ( 6.734 0.000 -14.287) 15.794 26.394 ( -0.940 -0.000 3.726) 3.843 26.675 ( 5.061 0.000 -1.461) 5.267 26.850 ( -1.690 -0.000 -3.363) 3.763 26.912 ( -0.288 -0.000 4.716) 4.725 ======================= Grid point 350 (171/205) ======================= q-point: ( 0.22 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 7.926 -0.777 7.955) 11.256 1.746 ( 2.972 1.168 7.635) 8.276 1.815 ( 5.020 1.333 -0.794) 5.254 1.892 ( -0.701 -1.341 1.266) 1.973 2.189 ( -1.659 -2.225 3.040) 4.116 2.462 ( -2.385 0.439 5.629) 6.129 2.666 ( -2.907 1.842 1.418) 3.722 2.760 ( -1.230 -0.464 -0.436) 1.385 3.218 ( 1.647 -0.683 1.464) 2.307 3.431 ( 0.793 0.025 -7.718) 7.759 3.693 ( 3.878 0.014 -11.010) 11.673 3.904 ( -1.368 0.670 -2.358) 2.807 4.360 ( -4.206 1.339 7.700) 8.875 4.411 ( -1.173 -0.054 3.909) 4.081 5.266 ( -2.455 0.817 6.830) 7.304 5.397 ( -2.001 -1.490 4.893) 5.492 5.955 ( 3.777 0.272 -6.323) 7.370 6.070 ( 3.528 -0.503 -8.634) 9.341 6.442 ( 1.576 -0.194 -2.957) 3.357 6.486 ( -1.367 -0.467 2.060) 2.516 7.339 ( 1.078 -0.499 -1.526) 1.934 7.411 ( 1.077 0.455 -0.484) 1.265 8.648 ( -6.286 -0.170 17.339) 18.444 8.947 ( 3.337 0.088 -8.082) 8.744 10.088 ( -12.125 0.179 28.129) 30.631 10.633 ( 8.336 0.226 -23.453) 24.891 11.622 ( -0.673 -0.056 -1.009) 1.214 11.665 ( -0.988 0.271 -1.246) 1.613 12.543 ( -0.226 0.662 1.363) 1.532 12.557 ( 0.912 -0.689 -1.868) 2.190 13.754 ( -0.621 -0.244 0.807) 1.047 13.816 ( 0.749 0.046 -1.080) 1.315 18.580 ( 1.321 -0.492 -2.289) 2.689 18.660 ( -0.005 0.148 0.121) 0.191 20.013 ( -4.869 -0.074 8.386) 9.697 20.223 ( -1.836 0.287 -3.886) 4.308 21.639 ( -0.423 0.584 5.402) 5.450 21.793 ( 6.713 -0.733 -14.366) 15.874 26.407 ( -0.116 -0.119 2.610) 2.615 26.722 ( 1.909 1.984 -0.162) 2.758 26.819 ( -0.593 -0.982 -1.451) 1.850 26.949 ( 1.419 -1.076 2.737) 3.266 ======================= Grid point 351 (172/205) ======================= q-point: ( 0.33 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 7.028 0.116 7.474) 10.260 1.734 ( -3.165 2.166 2.964) 4.847 1.873 ( 0.198 -0.560 2.200) 2.279 1.970 ( 6.435 -3.719 -2.731) 7.918 2.246 ( 2.313 -0.822 7.413) 7.808 2.435 ( -5.525 0.402 7.399) 9.243 2.583 ( -2.559 4.672 -2.704) 5.974 2.737 ( -1.155 -2.500 -2.257) 3.561 3.252 ( -0.078 -0.621 2.759) 2.829 3.392 ( -0.941 -0.087 -3.131) 3.270 3.694 ( 4.686 1.134 -11.932) 12.869 3.860 ( -1.195 0.830 -1.982) 2.459 4.322 ( -4.390 0.136 5.942) 7.389 4.412 ( -1.433 -0.462 3.077) 3.426 5.263 ( -2.043 1.470 6.674) 7.133 5.413 ( -1.410 -1.594 5.259) 5.674 5.972 ( 3.122 0.202 -6.073) 6.832 6.074 ( 3.046 0.088 -8.032) 8.591 6.449 ( 0.021 0.938 0.044) 0.940 6.490 ( 1.285 -1.350 -1.099) 2.164 7.357 ( 1.171 -1.269 -1.164) 2.083 7.416 ( 0.463 0.804 -0.832) 1.246 8.656 ( -6.283 -0.342 17.788) 18.868 8.945 ( 2.870 0.255 -8.456) 8.933 10.064 ( -12.035 -0.056 28.772) 31.188 10.621 ( 8.160 0.283 -23.361) 24.747 11.614 ( 0.391 -0.241 -1.013) 1.112 11.641 ( -0.502 0.351 -1.529) 1.647 12.540 ( -0.323 0.859 0.981) 1.344 12.567 ( 0.833 -0.881 -1.598) 2.006 13.752 ( -0.428 -0.429 0.685) 0.915 13.820 ( 0.626 0.247 -0.875) 1.104 18.599 ( 1.918 -0.596 -1.809) 2.703 18.652 ( -0.451 0.522 -0.399) 0.796 20.000 ( -3.216 -0.272 8.432) 9.029 20.169 ( -1.353 0.373 -3.356) 3.637 21.656 ( -0.596 1.244 4.627) 4.828 21.817 ( 6.020 -1.339 -14.196) 15.477 26.420 ( -0.159 -0.350 1.394) 1.446 26.721 ( 0.125 1.861 -0.092) 1.867 26.820 ( 0.535 -0.574 -0.224) 0.816 26.997 ( 1.486 -1.064 1.167) 2.168 ======================= Grid point 352 (173/205) ======================= q-point: (-0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -2.635 -0.208 -0.916) 2.797 1.681 ( -5.303 -0.028 4.835) 7.176 1.892 ( -0.397 2.104 5.595) 5.991 2.041 ( 1.280 0.579 -3.057) 3.365 2.305 ( -1.937 -0.010 4.203) 4.628 2.413 ( 0.023 -2.796 5.787) 6.428 2.528 ( 1.536 2.758 -2.575) 4.074 2.745 ( 2.306 -2.281 -2.956) 4.388 3.251 ( -3.251 -0.177 4.870) 5.858 3.366 ( -0.943 0.440 -0.134) 1.049 3.674 ( 2.546 3.058 -8.456) 9.345 3.837 ( 0.194 -0.120 -1.745) 1.760 4.299 ( -2.849 -2.896 3.455) 5.333 4.413 ( -0.952 -1.746 1.370) 2.415 5.262 ( -1.935 1.371 6.976) 7.368 5.429 ( -1.619 0.104 5.668) 5.896 5.979 ( 2.207 0.052 -5.259) 5.704 6.071 ( 3.126 1.049 -7.694) 8.371 6.433 ( -1.340 0.914 1.463) 2.184 6.526 ( 3.351 -0.257 -2.755) 4.346 7.377 ( 0.589 -1.771 -1.220) 2.230 7.403 ( -0.380 1.056 -1.426) 1.815 8.666 ( -6.407 -0.441 18.140) 19.244 8.933 ( 2.447 0.451 -8.482) 8.840 10.054 ( -11.352 -0.677 29.212) 31.347 10.610 ( 8.267 0.047 -23.027) 24.466 11.620 ( 0.816 0.190 -1.444) 1.670 11.633 ( 1.067 -0.413 -1.498) 1.885 12.533 ( -0.590 0.841 1.227) 1.600 12.576 ( 0.807 -0.845 -2.017) 2.332 13.755 ( -0.164 -0.511 0.552) 0.770 13.821 ( 0.423 0.541 -0.669) 0.958 18.615 ( 0.511 0.993 -0.941) 1.460 18.646 ( 1.167 -0.273 -1.181) 1.683 20.015 ( -1.938 -0.483 9.008) 9.227 20.136 ( 0.144 0.240 -2.825) 2.839 21.659 ( -0.902 1.513 3.397) 3.827 21.831 ( 5.069 -1.438 -14.163) 15.111 26.424 ( -0.451 -0.703 0.525) 0.986 26.702 ( -1.085 0.713 -0.530) 1.402 26.840 ( 1.941 0.401 -0.337) 2.010 27.020 ( 0.200 -0.292 0.131) 0.378 ======================= Grid point 353 (174/205) ======================= q-point: (-0.44 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -10.324 -0.800 -5.353) 11.657 1.628 ( -5.824 -1.600 7.339) 9.505 1.858 ( -5.664 3.792 3.250) 7.551 1.978 ( -3.413 2.190 -1.059) 4.192 2.294 ( 0.196 0.494 -0.447) 0.695 2.503 ( 1.075 -2.500 3.763) 4.644 2.553 ( 4.547 -1.099 -0.580) 4.714 2.797 ( 3.960 -0.486 -3.252) 5.147 3.219 ( -4.923 -0.161 7.643) 9.093 3.340 ( -1.245 1.387 -0.697) 1.989 3.649 ( 2.344 4.223 -2.634) 5.501 3.844 ( 0.984 -0.782 -0.445) 1.333 4.312 ( -1.207 -5.574 1.141) 5.816 4.423 ( -0.467 -3.406 -0.675) 3.503 5.266 ( -2.264 0.707 7.712) 8.069 5.429 ( -1.598 1.957 5.320) 5.889 5.981 ( 1.809 0.131 -4.314) 4.680 6.066 ( 3.411 2.328 -7.661) 8.703 6.416 ( -1.204 0.968 2.067) 2.581 6.561 ( 3.233 0.802 -3.426) 4.778 7.367 ( -1.380 0.684 -1.236) 1.975 7.389 ( 0.207 -1.585 -2.152) 2.680 8.675 ( -6.697 -0.526 18.188) 19.389 8.916 ( 2.277 0.567 -8.196) 8.525 10.062 ( -10.548 -1.214 29.247) 31.115 10.608 ( 8.632 -0.351 -22.567) 24.164 11.625 ( 1.604 0.236 -2.072) 2.631 11.656 ( 1.769 -0.864 -1.212) 2.312 12.525 ( -0.744 0.689 1.489) 1.802 12.580 ( 0.717 -0.686 -2.429) 2.624 13.761 ( 0.124 -0.464 0.438) 0.650 13.818 ( 0.164 0.808 -0.521) 0.975 18.599 ( -0.172 2.130 -0.402) 2.175 18.668 ( 1.721 -0.437 -1.648) 2.423 20.051 ( -1.387 -0.673 9.707) 9.828 20.139 ( 2.251 -0.104 -2.444) 3.324 21.648 ( -1.349 1.425 2.469) 3.154 21.827 ( 4.209 -1.067 -14.448) 15.086 26.423 ( -0.483 -1.241 -0.124) 1.337 26.666 ( -2.610 -0.502 -0.969) 2.829 26.867 ( 2.184 1.663 -0.594) 2.809 27.015 ( -0.084 0.524 -0.928) 1.069 ======================= Grid point 354 (175/205) ======================= q-point: (-0.33 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -9.521 -1.244 -1.685) 9.748 1.585 ( -8.839 -0.554 9.980) 13.343 1.736 ( -4.045 -2.915 -6.540) 8.224 1.917 ( -3.019 0.285 1.144) 3.241 2.299 ( 1.623 2.176 0.019) 2.715 2.507 ( -1.539 0.889 1.567) 2.370 2.654 ( 2.414 -2.048 2.889) 4.286 2.814 ( 0.940 1.009 -3.882) 4.120 3.197 ( -3.949 -0.266 8.500) 9.376 3.303 ( 0.279 1.756 -3.669) 4.077 3.670 ( 3.867 4.167 2.337) 6.147 3.871 ( 0.963 -0.795 1.783) 2.177 4.339 ( -1.221 -5.976 -0.063) 6.099 4.433 ( -0.546 -4.514 -2.791) 5.335 5.274 ( -2.879 -0.322 9.051) 9.504 5.419 ( -0.921 2.756 3.809) 4.791 5.984 ( 1.559 0.532 -3.315) 3.702 6.054 ( 3.776 3.696 -8.450) 9.966 6.409 ( -0.456 0.844 2.768) 2.930 6.575 ( 2.145 1.394 -4.061) 4.800 7.333 ( -1.111 0.199 -0.998) 1.506 7.386 ( -0.214 -1.599 -2.456) 2.938 8.678 ( -7.106 -0.589 17.913) 19.280 8.901 ( 2.528 0.546 -7.861) 8.275 10.083 ( -10.029 -1.280 28.880) 30.599 10.618 ( 8.912 -0.629 -22.240) 23.967 11.644 ( 2.217 -0.022 -2.209) 3.129 11.683 ( 1.462 -0.942 -1.158) 2.090 12.518 ( -0.711 0.454 1.680) 1.879 12.579 ( 0.615 -0.444 -2.700) 2.804 13.770 ( 0.299 -0.306 0.396) 0.583 13.809 ( -0.030 0.930 -0.497) 1.055 18.581 ( 0.222 2.336 0.121) 2.350 18.680 ( 0.780 0.035 -2.100) 2.240 20.095 ( -1.873 -0.809 10.572) 10.767 20.180 ( 4.291 -0.563 -3.000) 5.266 21.627 ( -1.738 1.211 2.110) 2.990 21.806 ( 3.686 -0.477 -14.690) 15.153 26.428 ( 0.080 -1.904 -0.764) 2.053 26.608 ( -4.484 -1.225 -0.854) 4.726 26.875 ( 0.939 3.345 0.510) 3.511 27.009 ( 1.244 0.554 -2.728) 3.049 ======================= Grid point 355 (176/205) ======================= q-point: (-0.22 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.156 -3.774 4.680) 6.014 1.435 ( -11.139 -0.387 -1.373) 11.230 1.726 ( -0.800 -5.900 2.176) 6.339 1.887 ( -1.935 -2.459 -0.410) 3.156 2.318 ( 1.697 2.685 2.850) 4.267 2.476 ( -2.496 1.074 1.543) 3.125 2.668 ( -3.064 0.721 4.163) 5.220 2.784 ( -0.067 2.124 -3.575) 4.158 3.192 ( -2.426 0.149 6.221) 6.679 3.292 ( 3.473 0.873 -6.719) 7.614 3.743 ( 4.974 2.935 4.989) 7.632 3.900 ( -0.014 -0.313 2.604) 2.623 4.349 ( -2.131 -4.685 0.213) 5.152 4.429 ( -1.171 -4.126 -3.888) 5.789 5.289 ( -3.575 -1.524 10.505) 11.201 5.408 ( -0.220 2.763 2.157) 3.512 5.974 ( -0.318 1.476 -1.771) 2.327 6.040 ( 5.376 3.941 -10.737) 12.638 6.425 ( 0.613 0.354 3.082) 3.162 6.561 ( 0.688 1.478 -4.414) 4.705 7.322 ( 0.070 -0.781 -0.421) 0.890 7.376 ( -0.293 -1.121 -2.537) 2.789 8.671 ( -7.456 -0.434 17.528) 19.053 8.896 ( 3.105 0.419 -7.661) 8.277 10.106 ( -9.836 -1.013 28.254) 29.934 10.632 ( 8.864 -0.640 -22.232) 23.943 11.669 ( 2.115 -0.265 -1.958) 2.895 11.699 ( 0.573 -0.827 -1.162) 1.537 12.516 ( -0.555 0.213 1.820) 1.915 12.574 ( 0.569 -0.180 -2.831) 2.894 13.778 ( 0.010 -0.017 0.707) 0.707 13.799 ( 0.203 0.754 -0.866) 1.166 18.578 ( 0.864 1.894 0.774) 2.221 18.667 ( -0.301 0.495 -2.576) 2.640 20.126 ( -3.457 -0.684 11.218) 11.758 20.243 ( 5.090 -0.977 -4.375) 6.782 21.603 ( -1.756 0.905 2.286) 3.021 21.777 ( 3.804 0.096 -14.530) 15.020 26.446 ( 0.641 -2.527 -0.584) 2.671 26.530 ( -4.551 -0.637 -0.659) 4.642 26.869 ( 0.434 3.463 2.655) 4.385 27.004 ( 1.037 0.659 -4.519) 4.684 ======================= Grid point 356 (177/205) ======================= q-point: (-0.11 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 7.070 -4.423 7.859) 11.459 1.236 ( -9.134 -0.196 -6.075) 10.971 1.785 ( -1.110 -5.490 6.734) 8.759 1.868 ( -2.022 -1.567 -0.229) 2.569 2.356 ( 1.028 1.047 5.848) 6.030 2.425 ( -3.229 0.881 -0.330) 3.364 2.649 ( -0.730 0.820 4.557) 4.688 2.734 ( -0.955 3.256 -2.658) 4.310 3.187 ( -1.671 0.679 3.723) 4.137 3.321 ( 6.312 -0.069 -9.316) 11.253 3.843 ( 4.376 1.116 4.888) 6.655 3.894 ( -2.169 0.279 0.246) 2.200 4.347 ( -2.151 -3.344 2.258) 4.572 4.408 ( -1.315 -2.420 -2.574) 3.770 5.301 ( -4.710 -1.811 10.580) 11.721 5.402 ( 0.098 2.344 2.285) 3.274 5.939 ( -0.383 1.526 -2.448) 2.910 6.041 ( 5.873 2.963 -11.401) 13.162 6.456 ( 0.678 0.086 3.003) 3.080 6.525 ( -0.460 1.149 -4.296) 4.470 7.338 ( 0.983 -1.226 -0.171) 1.581 7.362 ( -0.017 -0.418 -2.468) 2.503 8.658 ( -7.331 -0.123 17.230) 18.725 8.902 ( 3.704 0.225 -7.531) 8.396 10.122 ( -10.070 -0.685 27.635) 29.420 10.641 ( 8.637 -0.462 -22.531) 24.134 11.690 ( 1.348 -0.382 -1.493) 2.047 11.697 ( -0.503 -0.522 -1.211) 1.411 12.519 ( -0.369 0.020 1.933) 1.968 12.566 ( 0.599 0.034 -2.823) 2.886 13.776 ( -0.713 0.378 1.071) 1.341 13.798 ( 0.853 0.238 -1.314) 1.584 18.593 ( 1.443 1.020 1.223) 2.149 18.635 ( -0.770 0.724 -2.857) 3.046 20.127 ( -5.243 -0.391 11.009) 12.200 20.295 ( 3.637 -0.931 -5.247) 6.452 21.588 ( -1.288 0.430 2.955) 3.252 21.754 ( 4.716 0.448 -14.178) 14.948 26.437 ( -4.832 -1.054 3.788) 6.230 26.513 ( 4.103 -1.317 -3.909) 5.818 26.876 ( -0.045 2.131 4.500) 4.979 26.972 ( -0.525 1.065 -5.146) 5.281 ======================= Grid point 359 (178/205) ======================= q-point: ( 0.22 0.22 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 7.506 0.000 7.568) 10.659 1.757 ( -4.697 -0.000 4.218) 6.313 1.864 ( 0.139 0.000 -0.159) 0.211 1.940 ( 7.941 0.000 -2.703) 8.388 2.241 ( 2.784 0.000 8.921) 9.345 2.438 ( -5.667 -0.000 7.153) 9.126 2.634 ( -2.161 -0.000 -0.590) 2.240 2.703 ( -2.357 -0.000 -4.058) 4.693 3.248 ( 0.399 0.000 2.369) 2.402 3.391 ( -0.915 -0.000 -2.935) 3.074 3.701 ( 5.631 0.000 -13.610) 14.729 3.867 ( -1.352 -0.000 -2.215) 2.595 4.324 ( -6.190 -0.000 7.898) 10.034 4.408 ( -1.621 -0.000 2.693) 3.143 5.277 ( -1.934 -0.000 6.742) 7.014 5.398 ( -0.894 -0.000 5.156) 5.233 5.974 ( 3.241 0.000 -6.657) 7.405 6.074 ( 3.292 0.000 -7.686) 8.361 6.467 ( 3.543 0.000 -2.837) 4.539 6.468 ( -1.723 -0.000 1.487) 2.276 7.348 ( 1.045 0.000 -1.084) 1.506 7.422 ( 0.382 0.000 -0.659) 0.762 8.654 ( -6.273 -0.000 17.794) 18.867 8.947 ( 2.884 0.000 -8.402) 8.883 10.064 ( -12.260 -0.000 28.906) 31.398 10.623 ( 8.047 0.000 -23.316) 24.665 11.612 ( 0.359 0.000 -1.021) 1.082 11.643 ( -0.602 -0.000 -1.525) 1.639 12.550 ( -0.669 -0.000 1.994) 2.104 12.557 ( 1.184 0.000 -2.591) 2.848 13.749 ( -0.472 -0.000 0.829) 0.954 13.822 ( 0.741 0.000 -0.977) 1.226 18.594 ( 2.175 0.000 -1.950) 2.921 18.656 ( -0.377 -0.000 -0.443) 0.582 19.998 ( -3.272 -0.000 8.476) 9.086 20.172 ( -1.435 -0.000 -3.363) 3.657 21.666 ( -0.737 -0.000 5.289) 5.340 21.806 ( 6.230 0.000 -14.862) 16.115 26.417 ( -0.316 -0.000 1.656) 1.686 26.737 ( -0.630 -0.000 -0.011) 0.630 26.814 ( 1.406 0.000 -1.298) 1.913 26.989 ( 1.618 0.000 1.935) 2.522 ======================= Grid point 360 (179/205) ======================= q-point: (-0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -3.188 -0.130 -2.219) 3.887 1.682 ( -6.666 0.066 4.742) 8.181 1.922 ( 3.568 1.700 6.488) 7.597 2.035 ( 4.889 -0.936 -4.825) 6.933 2.306 ( -2.660 0.191 6.275) 6.818 2.382 ( -4.990 -1.336 7.136) 8.810 2.585 ( 0.815 4.353 -2.867) 5.275 2.697 ( 3.217 -3.790 -3.337) 5.987 3.251 ( -2.609 0.095 4.321) 5.049 3.370 ( -0.723 0.107 0.294) 0.788 3.700 ( 4.564 0.781 -12.762) 13.576 3.839 ( -0.320 0.234 -1.380) 1.436 4.269 ( -5.808 -1.159 6.558) 8.836 4.395 ( -1.591 -0.736 1.042) 2.039 5.282 ( -2.465 0.991 7.622) 8.071 5.425 ( -0.154 -0.361 4.878) 4.894 5.980 ( 2.245 0.057 -5.473) 5.916 6.083 ( 3.592 0.446 -7.428) 8.263 6.446 ( -1.347 0.666 1.046) 1.831 6.520 ( 4.282 -0.424 -2.973) 5.230 7.358 ( 0.536 -0.745 -1.041) 1.388 7.413 ( -0.628 0.386 -1.074) 1.303 8.662 ( -6.382 -0.144 18.217) 19.304 8.938 ( 2.468 0.163 -8.456) 8.811 10.047 ( -11.739 -0.207 29.526) 31.775 10.610 ( 8.019 0.008 -23.000) 24.358 11.620 ( 1.237 -0.075 -1.117) 1.668 11.630 ( 0.436 -0.023 -1.869) 1.920 12.545 ( -0.696 0.770 1.357) 1.708 12.564 ( 0.917 -0.771 -2.133) 2.446 13.749 ( -0.198 -0.207 0.797) 0.847 13.827 ( 0.589 0.216 -0.819) 1.032 18.623 ( 2.310 0.139 -1.600) 2.813 18.646 ( -0.010 0.128 -0.901) 0.910 20.010 ( -1.993 -0.166 9.090) 9.308 20.138 ( -0.068 0.070 -2.849) 2.850 21.678 ( -1.178 0.854 4.218) 4.461 21.813 ( 5.465 -0.828 -14.968) 15.956 26.417 ( -0.801 -0.270 0.999) 1.308 26.712 ( -1.635 0.445 -1.050) 1.994 26.842 ( 2.680 -0.025 -1.162) 2.921 27.018 ( 0.522 -0.095 1.055) 1.181 ======================= Grid point 361 (180/205) ======================= q-point: (-0.56 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -9.615 -0.838 -7.113) 11.990 1.609 ( -6.225 -1.113 6.337) 8.952 1.927 ( -6.231 5.571 2.669) 8.774 2.008 ( -4.751 1.419 1.214) 5.105 2.290 ( 0.354 -0.679 -0.281) 0.816 2.431 ( 1.899 -5.598 5.429) 8.026 2.577 ( 3.392 2.455 -3.282) 5.320 2.785 ( 5.368 -0.969 -1.539) 5.667 3.220 ( -4.557 0.214 6.498) 7.939 3.357 ( -0.929 0.814 0.074) 1.238 3.694 ( 4.049 2.028 -7.314) 8.602 3.840 ( 1.032 0.181 -0.089) 1.051 4.241 ( -3.712 -3.984 4.254) 6.910 4.382 ( -1.274 -2.165 -0.794) 2.635 5.279 ( -3.233 0.900 8.917) 9.528 5.449 ( -0.153 0.900 3.616) 3.730 5.983 ( 1.649 0.149 -3.345) 3.732 6.094 ( 4.272 1.471 -7.763) 8.983 6.429 ( -1.017 0.789 1.516) 1.989 6.569 ( 3.915 0.364 -3.658) 5.370 7.360 ( -0.299 -1.165 -1.307) 1.777 7.383 ( -1.408 0.341 -1.596) 2.155 8.670 ( -6.722 -0.221 18.413) 19.603 8.923 ( 2.264 0.327 -8.215) 8.527 10.049 ( -10.813 -0.653 29.674) 31.590 10.604 ( 8.361 -0.247 -22.564) 24.064 11.629 ( 1.473 0.251 -2.127) 2.599 11.644 ( 1.685 -0.677 -1.279) 2.221 12.535 ( -0.849 0.747 1.425) 1.819 12.570 ( 0.815 -0.750 -2.369) 2.615 13.755 ( 0.150 -0.282 0.736) 0.802 13.827 ( 0.297 0.496 -0.676) 0.889 18.626 ( 0.341 1.631 -0.921) 1.904 18.661 ( 1.952 -0.588 -1.678) 2.640 20.044 ( -1.447 -0.338 9.811) 9.923 20.136 ( 1.863 -0.165 -2.429) 3.066 21.669 ( -1.585 1.312 2.870) 3.532 21.811 ( 4.659 -1.085 -14.797) 15.551 26.409 ( -1.110 -0.752 0.657) 1.493 26.664 ( -2.814 0.010 -1.861) 3.373 26.883 ( 3.169 0.596 -1.406) 3.518 27.023 ( -0.029 0.455 0.064) 0.460 ======================= Grid point 362 (181/205) ======================= q-point: (-0.44 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -9.766 -0.791 -3.075) 10.270 1.576 ( -5.054 -1.230 8.936) 10.339 1.723 ( -10.040 1.557 -7.047) 12.365 1.923 ( -6.502 0.352 3.881) 7.580 2.314 ( 2.408 0.236 -1.258) 2.727 2.486 ( -2.764 -3.370 2.812) 5.187 2.649 ( 6.876 0.793 -0.764) 6.964 2.829 ( 0.881 1.270 -1.308) 2.025 3.196 ( -2.859 0.149 6.652) 7.242 3.328 ( -0.326 1.573 -2.290) 2.797 3.723 ( 4.525 2.964 -0.849) 5.475 3.865 ( 1.373 0.149 1.872) 2.326 4.251 ( -1.993 -6.004 1.900) 6.605 4.373 ( -1.085 -3.683 -2.568) 4.619 5.276 ( -3.911 0.349 10.418) 11.134 5.452 ( -0.074 1.893 1.519) 2.428 5.992 ( 1.401 0.578 -1.365) 2.040 6.103 ( 4.729 2.937 -8.697) 10.326 6.422 ( -0.639 0.844 2.733) 2.930 6.594 ( 2.611 1.135 -4.442) 5.276 7.335 ( -1.905 0.024 -0.782) 2.059 7.363 ( -0.204 -1.611 -2.596) 3.062 8.672 ( -7.152 -0.279 18.320) 19.668 8.908 ( 2.501 0.432 -7.916) 8.313 10.067 ( -10.076 -0.960 29.321) 31.019 10.609 ( 8.754 -0.564 -22.229) 23.897 11.644 ( 2.078 0.044 -2.380) 3.160 11.669 ( 1.452 -0.885 -1.234) 2.101 12.526 ( -0.856 0.558 1.606) 1.903 12.572 ( 0.751 -0.578 -2.635) 2.800 13.767 ( 0.426 -0.182 0.667) 0.811 13.821 ( -0.013 0.712 -0.612) 0.939 18.614 ( 0.494 2.128 -0.592) 2.263 18.679 ( 1.142 -0.153 -2.042) 2.345 20.085 ( -1.831 -0.551 10.416) 10.590 20.171 ( 3.654 -0.636 -2.553) 4.503 21.645 ( -1.916 1.301 2.195) 3.191 21.798 ( 4.185 -0.665 -14.721) 15.319 26.403 ( -0.823 -1.441 0.494) 1.731 26.595 ( -4.002 -0.541 -2.031) 4.520 26.913 ( 2.279 2.048 -0.864) 3.183 27.018 ( 0.582 0.620 -1.394) 1.632 ======================= Grid point 363 (182/205) ======================= q-point: (-0.33 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -2.055 -2.519 5.939) 6.770 1.446 ( -11.210 1.862 -3.690) 11.948 1.641 ( -0.807 -5.621 3.003) 6.423 1.852 ( -4.180 -2.405 0.531) 4.851 2.342 ( 1.496 0.810 1.006) 1.977 2.462 ( -3.564 -2.667 0.866) 4.535 2.707 ( -0.310 3.947 4.388) 5.910 2.809 ( 0.770 1.341 -3.168) 3.525 3.199 ( -0.996 0.870 4.788) 4.967 3.307 ( 1.936 1.226 -4.781) 5.302 3.786 ( 4.533 2.758 2.793) 5.996 3.898 ( 0.610 0.197 2.692) 2.767 4.272 ( -1.858 -5.827 1.127) 6.220 4.364 ( -0.958 -4.559 -3.974) 6.124 5.277 ( -4.328 -0.357 11.813) 12.586 5.443 ( 0.276 2.072 -0.287) 2.110 5.997 ( 0.285 1.619 -0.204) 1.656 6.099 ( 5.053 4.064 -10.125) 12.024 6.432 ( 0.032 0.579 3.829) 3.873 6.584 ( 0.984 1.568 -4.988) 5.321 7.309 ( -0.861 -0.870 -0.210) 1.242 7.356 ( 0.069 -1.644 -3.015) 3.434 8.666 ( -7.396 -0.254 18.006) 19.468 8.902 ( 3.092 0.468 -7.783) 8.387 10.091 ( -9.847 -1.022 28.655) 30.317 10.621 ( 8.850 -0.726 -22.232) 23.939 11.665 ( 1.997 -0.249 -2.229) 3.003 11.686 ( 0.666 -0.945 -1.238) 1.694 12.520 ( -0.727 0.292 1.788) 1.952 12.570 ( 0.745 -0.313 -2.803) 2.917 13.779 ( 0.397 0.084 0.696) 0.806 13.810 ( -0.098 0.732 -0.740) 1.045 18.607 ( 0.808 2.150 0.040) 2.297 18.674 ( 0.078 0.453 -2.452) 2.495 20.116 ( -3.227 -0.694 10.862) 11.352 20.228 ( 4.395 -1.152 -3.547) 5.764 21.617 ( -2.007 1.066 2.314) 3.243 21.778 ( 4.336 0.052 -14.566) 15.198 26.412 ( -0.184 -2.116 0.959) 2.330 26.520 ( -3.652 -0.673 -2.011) 4.223 26.919 ( 0.807 3.334 1.181) 3.628 27.013 ( 0.834 0.525 -3.324) 3.467 ======================= Grid point 364 (183/205) ======================= q-point: (-0.22 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 5.805 -4.441 11.235) 13.403 1.232 ( -7.831 -0.300 -8.733) 11.734 1.709 ( -0.504 -4.804 7.796) 9.171 1.827 ( -0.625 -3.570 -2.763) 4.557 2.367 ( -0.874 0.099 5.248) 5.321 2.421 ( -2.921 -1.418 -0.056) 3.247 2.681 ( -1.653 3.427 5.717) 6.867 2.785 ( 0.338 3.573 -3.575) 5.066 3.203 ( -0.763 1.529 3.345) 3.756 3.320 ( 4.883 -0.024 -7.795) 9.199 3.861 ( 3.155 1.176 3.566) 4.905 3.902 ( -1.237 0.883 0.545) 1.614 4.286 ( -2.198 -4.831 2.671) 5.942 4.360 ( -0.215 -4.185 -3.597) 5.522 5.282 ( -4.713 -0.755 12.234) 13.132 5.432 ( 0.495 1.791 -0.568) 1.943 5.972 ( -0.838 2.831 -0.580) 3.008 6.092 ( 5.331 3.800 -10.903) 12.718 6.458 ( 0.216 0.261 4.114) 4.127 6.546 ( -0.212 1.627 -4.979) 5.242 7.317 ( 0.540 -1.624 0.176) 1.720 7.351 ( 0.516 -1.142 -3.094) 3.339 8.657 ( -7.218 -0.067 17.600) 19.023 8.907 ( 3.688 0.383 -7.758) 8.599 10.110 ( -10.121 -0.969 27.940) 29.732 10.632 ( 8.684 -0.706 -22.581) 24.204 11.683 ( 1.136 -0.568 -1.641) 2.075 11.688 ( -0.179 -0.753 -1.390) 1.591 12.520 ( -0.555 0.017 1.926) 2.004 12.566 ( 0.803 0.001 -2.830) 2.942 13.783 ( -0.365 0.579 0.956) 1.175 13.803 ( 0.516 0.350 -1.146) 1.305 18.612 ( 1.081 1.575 0.717) 2.040 18.648 ( -0.443 1.028 -2.708) 2.930 20.120 ( -4.963 -0.584 10.673) 11.785 20.278 ( 3.295 -1.403 -4.514) 5.762 21.596 ( -1.678 0.639 2.959) 3.461 21.763 ( 5.139 0.680 -14.232) 15.146 26.420 ( -3.006 -1.182 3.550) 4.799 26.489 ( 2.255 -1.856 -3.531) 4.583 26.914 ( -0.357 3.011 3.289) 4.474 26.989 ( -0.089 1.259 -4.268) 4.451 ======================= Grid point 365 (184/205) ======================= q-point: (-0.11 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -5.879 -0.279 -3.882) 7.050 1.296 ( 10.850 -3.360 8.130) 13.968 1.766 ( -1.779 -3.660 5.126) 6.545 1.844 ( 1.020 -1.895 0.859) 2.317 2.338 ( -4.240 -0.076 1.025) 4.362 2.426 ( -0.194 0.096 5.634) 5.638 2.693 ( 0.876 0.516 3.886) 4.017 2.733 ( -0.773 3.639 -1.674) 4.079 3.196 ( -0.533 1.814 2.295) 2.974 3.370 ( 7.253 -1.023 -10.394) 12.716 3.836 ( -3.743 1.077 -3.187) 5.032 3.919 ( 1.332 -0.001 1.452) 1.970 4.309 ( -1.590 -4.333 4.655) 6.555 4.374 ( 0.320 -2.570 -0.062) 2.590 5.279 ( -4.772 -0.426 10.617) 11.647 5.426 ( -0.305 1.509 1.500) 2.149 5.937 ( 0.459 2.127 -2.565) 3.363 6.084 ( 4.717 3.024 -10.633) 12.019 6.479 ( -0.622 0.239 3.026) 3.098 6.499 ( -0.301 1.460 -3.685) 3.975 7.338 ( 0.621 -0.753 -1.244) 1.581 7.357 ( 1.483 -1.166 -1.511) 2.417 8.650 ( -6.729 0.143 17.241) 18.508 8.921 ( 3.960 0.164 -7.721) 8.679 10.117 ( -10.770 -0.821 27.504) 29.549 10.637 ( 8.554 -0.605 -23.055) 24.598 11.671 ( -1.134 -0.460 -1.146) 1.677 11.691 ( 0.293 -0.654 -1.401) 1.574 12.525 ( -0.403 -0.240 1.924) 1.981 12.562 ( 0.898 0.300 -2.647) 2.811 13.774 ( -0.706 0.641 0.752) 1.215 13.806 ( 0.746 0.168 -1.066) 1.312 18.612 ( -0.397 1.134 -2.180) 2.489 18.633 ( 1.220 0.870 0.437) 1.560 20.094 ( -6.106 -0.306 9.900) 11.636 20.294 ( 0.996 -1.179 -4.759) 5.003 21.592 ( -1.027 0.019 3.870) 4.004 21.762 ( 6.141 1.016 -13.959) 15.284 26.396 ( -2.289 -0.129 3.596) 4.265 26.556 ( 5.004 -2.963 -2.405) 6.293 26.902 ( -2.010 1.409 3.053) 3.917 26.947 ( -0.144 2.714 -2.518) 3.704 ======================= Grid point 369 (185/205) ======================= q-point: (-0.67 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -9.148 -0.000 -8.046) 12.183 1.600 ( -6.566 -0.000 6.081) 8.949 1.996 ( -6.330 -0.000 -6.554) 9.112 1.998 ( -5.231 -0.000 11.029) 12.207 2.286 ( 0.616 0.000 -0.880) 1.074 2.382 ( 1.705 0.000 6.420) 6.643 2.597 ( 2.362 0.000 -4.361) 4.960 2.776 ( 6.698 0.000 -0.246) 6.702 3.222 ( -4.408 -0.000 5.915) 7.377 3.362 ( -0.781 -0.000 0.329) 0.847 3.708 ( 4.734 0.000 -9.237) 10.380 3.843 ( 1.407 0.000 -0.394) 1.461 4.210 ( -5.101 -0.000 6.162) 8.000 4.366 ( -1.481 -0.000 -1.032) 1.806 5.286 ( -3.775 -0.000 9.501) 10.224 5.455 ( 0.550 0.000 2.860) 2.912 5.985 ( 1.604 0.000 -2.975) 3.380 6.105 ( 4.510 0.000 -7.666) 8.894 6.435 ( -0.980 -0.000 1.181) 1.535 6.572 ( 4.279 0.000 -3.773) 5.705 7.351 ( -0.095 -0.000 -1.388) 1.391 7.386 ( -1.852 -0.000 -1.270) 2.246 8.668 ( -6.714 -0.000 18.489) 19.670 8.925 ( 2.263 0.000 -8.224) 8.530 10.044 ( -10.927 -0.000 29.843) 31.781 10.602 ( 8.265 0.000 -22.582) 24.047 11.632 ( 1.398 0.000 -2.310) 2.700 11.638 ( 1.680 0.000 -1.139) 2.030 12.542 ( -1.174 -0.000 1.864) 2.203 12.562 ( 1.135 0.000 -2.811) 3.032 13.753 ( 0.177 0.000 0.825) 0.844 13.831 ( 0.332 0.000 -0.711) 0.784 18.641 ( 0.293 0.000 -1.147) 1.184 18.654 ( 2.283 0.000 -1.651) 2.818 20.042 ( -1.474 -0.000 9.886) 9.996 20.135 ( 1.716 0.000 -2.458) 2.997 21.679 ( -1.908 -0.000 3.474) 3.963 21.802 ( 5.068 0.000 -15.381) 16.195 26.403 ( -1.315 -0.000 0.903) 1.595 26.664 ( -2.933 -0.000 -2.173) 3.650 26.887 ( 3.526 0.000 -1.672) 3.903 27.026 ( 0.019 0.000 0.422) 0.423 ======================= Grid point 371 (186/205) ======================= q-point: (-0.56 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -8.620 -0.049 -5.100) 10.016 1.554 ( -3.937 -1.236 6.190) 7.439 1.765 ( -12.789 2.842 -6.598) 14.669 1.920 ( -9.678 -0.632 7.718) 12.395 2.315 ( 3.343 0.080 -2.846) 4.391 2.439 ( -2.145 -2.325 4.362) 5.389 2.658 ( 8.206 0.326 -3.827) 9.061 2.846 ( 0.632 0.796 1.572) 1.871 3.200 ( -1.872 0.230 5.184) 5.516 3.344 ( -0.483 0.548 -1.947) 2.080 3.748 ( 4.800 0.723 -2.630) 5.521 3.875 ( 2.266 0.759 0.822) 2.528 4.184 ( -3.192 -2.747 4.554) 6.203 4.335 ( -1.250 -1.405 -2.833) 3.400 5.280 ( -4.561 0.222 11.223) 12.117 5.471 ( 0.483 0.678 0.106) 0.839 5.999 ( 1.313 0.272 -0.130) 1.347 6.132 ( 5.110 1.074 -8.492) 9.969 6.431 ( -0.647 0.357 2.417) 2.527 6.605 ( 2.961 0.440 -4.731) 5.598 7.335 ( -1.275 0.118 -1.394) 1.893 7.344 ( -1.381 -0.842 -1.808) 2.426 8.669 ( -7.157 -0.053 18.530) 19.864 8.913 ( 2.505 0.162 -7.958) 8.345 10.057 ( -10.124 -0.341 29.570) 31.257 10.603 ( 8.668 -0.225 -22.248) 23.878 11.645 ( 2.018 0.093 -2.573) 3.272 11.659 ( 1.428 -0.422 -1.186) 1.904 12.532 ( -1.124 0.333 1.757) 2.112 12.564 ( 1.004 -0.348 -2.797) 2.992 13.765 ( 0.528 -0.062 0.792) 0.954 13.828 ( -0.023 0.267 -0.636) 0.690 18.638 ( 0.649 0.997 -1.142) 1.649 18.676 ( 1.378 -0.244 -1.855) 2.324 20.080 ( -1.867 -0.177 10.418) 10.585 20.164 ( 3.318 -0.287 -2.383) 4.095 21.660 ( -2.334 0.613 2.643) 3.579 21.790 ( 4.813 -0.364 -15.137) 15.887 26.389 ( -1.216 -0.514 1.033) 1.676 26.591 ( -3.898 -0.143 -2.601) 4.688 26.932 ( 3.321 0.645 -1.792) 3.828 27.025 ( -0.014 0.285 -0.411) 0.501 ======================= Grid point 372 (187/205) ======================= q-point: (-0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -2.139 -0.103 4.576) 5.052 1.469 ( -11.679 0.295 -9.451) 15.027 1.589 ( -0.691 -0.888 7.069) 7.158 1.819 ( -6.934 -2.130 3.015) 7.855 2.346 ( 1.790 0.034 -0.997) 2.049 2.418 ( -3.886 -2.948 1.613) 5.137 2.757 ( 3.950 2.639 0.368) 4.765 2.823 ( -1.873 0.640 1.254) 2.343 3.215 ( 0.612 1.123 2.904) 3.174 3.322 ( 0.872 0.800 -3.719) 3.902 3.814 ( 3.832 1.077 1.695) 4.326 3.909 ( 1.538 1.212 1.615) 2.538 4.195 ( -1.652 -4.504 2.739) 5.524 4.309 ( -0.947 -2.835 -4.112) 5.084 5.275 ( -4.787 0.060 12.488) 13.374 5.466 ( 0.517 1.147 -1.871) 2.255 6.016 ( 0.636 1.076 1.284) 1.792 6.147 ( 4.886 2.440 -9.546) 10.998 6.440 ( -0.328 0.471 4.141) 4.180 6.603 ( 1.211 0.984 -5.442) 5.661 7.300 ( -1.494 -0.384 -0.346) 1.581 7.332 ( 0.199 -1.473 -3.017) 3.364 8.664 ( -7.366 -0.039 18.330) 19.754 8.908 ( 3.113 0.305 -7.883) 8.481 10.079 ( -9.860 -0.601 28.913) 30.554 10.613 ( 8.842 -0.473 -22.229) 23.928 11.662 ( 1.898 -0.076 -2.494) 3.135 11.674 ( 0.757 -0.677 -1.261) 1.619 12.524 ( -0.966 0.246 1.791) 2.050 12.565 ( 0.975 -0.290 -2.814) 2.992 13.780 ( 0.647 0.075 0.737) 0.983 13.819 ( -0.271 0.445 -0.674) 0.852 18.634 ( 0.781 1.516 -0.674) 1.833 18.678 ( 0.372 0.124 -2.170) 2.205 20.108 ( -3.097 -0.399 10.571) 11.023 20.213 ( 3.884 -0.783 -2.895) 4.907 21.631 ( -2.390 0.725 2.470) 3.513 21.778 ( 4.957 -0.007 -14.725) 15.537 26.388 ( -0.357 -1.118 1.507) 1.910 26.512 ( -3.536 -0.398 -2.523) 4.362 26.959 ( 1.806 2.125 -0.545) 2.841 27.018 ( 0.084 0.079 -1.693) 1.697 ======================= Grid point 373 (188/205) ======================= q-point: (-0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 6.057 -1.396 12.539) 13.995 1.225 ( -8.564 -0.847 -11.247) 14.162 1.662 ( 1.139 -1.425 8.069) 8.272 1.776 ( -0.302 -3.592 -2.641) 4.468 2.356 ( -2.846 -1.414 3.783) 4.940 2.394 ( -0.971 -2.049 0.243) 2.281 2.732 ( -3.844 3.189 5.714) 7.589 2.829 ( 2.052 2.410 -2.910) 4.299 3.228 ( 0.152 1.858 2.272) 2.939 3.320 ( 3.210 0.092 -6.269) 7.044 3.872 ( 1.577 0.479 3.157) 3.561 3.919 ( -0.067 1.379 -0.107) 1.385 4.219 ( -1.442 -4.240 2.927) 5.350 4.299 ( 0.268 -3.981 -4.214) 5.803 5.277 ( -4.701 -0.066 13.067) 13.887 5.453 ( 0.606 1.147 -2.345) 2.680 6.012 ( -0.578 2.601 1.026) 2.855 6.142 ( 4.410 3.014 -10.284) 11.589 6.463 ( -0.250 0.370 5.134) 5.153 6.568 ( -0.082 1.294 -5.578) 5.727 7.295 ( 0.224 -1.339 0.159) 1.367 7.332 ( 0.995 -1.358 -3.399) 3.793 8.657 ( -7.141 0.055 17.939) 19.308 8.913 ( 3.694 0.377 -7.978) 8.800 10.097 ( -10.163 -0.780 28.190) 29.976 10.622 ( 8.721 -0.619 -22.610) 24.241 11.675 ( 0.407 -0.558 -1.321) 1.490 11.678 ( 0.687 -0.544 -2.078) 2.255 12.520 ( -0.787 0.003 1.892) 2.049 12.566 ( 1.050 -0.047 -2.809) 2.999 13.791 ( 0.143 0.513 0.812) 0.971 13.807 ( 0.026 0.289 -0.943) 0.987 18.635 ( 0.768 1.464 0.075) 1.655 18.661 ( -0.173 0.761 -2.390) 2.514 20.112 ( -4.665 -0.495 10.269) 11.290 20.259 ( 2.940 -1.217 -3.718) 4.893 21.605 ( -2.098 0.545 2.977) 3.682 21.772 ( 5.593 0.590 -14.297) 15.363 26.406 ( -0.901 -0.701 3.037) 3.245 26.464 ( 0.106 -1.539 -2.952) 3.331 26.956 ( -0.575 2.680 1.787) 3.272 27.004 ( 0.278 0.616 -3.020) 3.095 ======================= Grid point 374 (189/205) ======================= q-point: (-0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -4.306 -0.482 -5.665) 7.132 1.248 ( 10.860 -2.810 10.096) 15.092 1.716 ( -0.212 -2.892 2.556) 3.865 1.829 ( 4.769 -0.154 0.006) 4.772 2.323 ( -4.341 -1.978 3.038) 5.656 2.419 ( -0.062 -0.892 5.084) 5.162 2.696 ( -2.311 -0.087 3.152) 3.909 2.797 ( -0.872 4.876 -0.962) 5.046 3.225 ( -0.396 2.055 2.377) 3.167 3.353 ( 5.993 -1.245 -9.302) 11.135 3.854 ( -3.397 1.417 -2.124) 4.250 3.917 ( 0.207 -0.234 0.658) 0.729 4.248 ( -0.963 -3.941 3.911) 5.635 4.326 ( 1.424 -3.977 -1.420) 4.457 5.280 ( -4.567 0.378 12.178) 13.012 5.442 ( 0.161 0.783 -0.890) 1.196 5.979 ( -0.451 3.513 -0.764) 3.624 6.125 ( 3.739 2.574 -10.276) 11.234 6.484 ( -0.910 0.403 4.716) 4.820 6.520 ( -0.299 1.315 -4.699) 4.888 7.322 ( 1.383 -1.481 -0.005) 2.026 7.341 ( 1.594 -0.908 -3.048) 3.557 8.652 ( -6.650 0.214 17.504) 18.726 8.924 ( 3.930 0.269 -8.069) 8.979 10.104 ( -10.751 -0.853 27.680) 29.707 10.627 ( 8.583 -0.700 -23.172) 24.721 11.664 ( -0.855 -0.479 -1.116) 1.486 11.681 ( 0.288 -0.716 -1.753) 1.916 12.521 ( -0.625 -0.268 1.893) 2.012 12.566 ( 1.147 0.266 -2.652) 2.902 13.784 ( -0.583 0.737 0.280) 0.981 13.808 ( 0.563 0.171 -0.596) 0.838 18.630 ( -0.281 1.339 -1.495) 2.026 18.646 ( 0.732 0.892 -0.298) 1.191 20.090 ( -5.742 -0.347 9.541) 11.141 20.276 ( 0.947 -1.320 -4.216) 4.518 21.593 ( -1.490 0.112 3.773) 4.058 21.778 ( 6.367 1.044 -13.894) 15.319 26.397 ( -1.383 0.296 2.430) 2.812 26.511 ( 3.893 -3.147 -1.141) 5.134 26.925 ( -2.623 1.662 1.997) 3.692 26.984 ( 0.614 2.337 -1.790) 3.006 ======================= Grid point 375 (190/205) ======================= q-point: (-0.11 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 2.175 0.426 -0.676) 2.317 1.519 ( 10.356 -2.227 10.823) 15.144 1.745 ( 1.386 -2.517 -1.883) 3.436 1.893 ( 2.153 2.888 3.971) 5.361 2.288 ( -2.133 0.433 0.608) 2.260 2.445 ( -2.440 -0.391 7.616) 8.006 2.680 ( -2.816 -2.423 -0.878) 3.817 2.753 ( -0.251 2.410 2.194) 3.269 3.222 ( 0.083 1.975 2.550) 3.227 3.410 ( 6.486 -1.732 -10.813) 12.727 3.756 ( -3.303 1.430 -5.417) 6.504 3.912 ( -1.283 -1.197 -0.789) 1.924 4.293 ( -0.442 -3.826 4.538) 5.951 4.373 ( 0.783 -2.702 2.029) 3.469 5.270 ( -4.233 0.823 9.638) 10.558 5.435 ( -0.973 0.828 2.158) 2.508 5.951 ( 1.391 2.390 -3.209) 4.236 6.102 ( 3.058 1.848 -9.848) 10.476 6.469 ( -0.587 1.100 -2.167) 2.500 6.501 ( -0.708 0.592 2.213) 2.398 7.344 ( 1.534 0.434 -1.819) 2.419 7.368 ( 1.788 -1.580 -0.932) 2.562 8.652 ( -6.309 0.377 17.268) 18.388 8.936 ( 3.748 0.012 -8.134) 8.956 10.099 ( -11.353 -0.712 27.597) 29.850 10.628 ( 8.567 -0.731 -23.564) 25.084 11.643 ( -1.004 -0.147 -1.076) 1.479 11.674 ( -0.569 -0.827 -1.364) 1.694 12.526 ( -0.482 -0.502 1.667) 1.806 12.567 ( 1.169 0.549 -2.280) 2.620 13.771 ( -0.552 0.631 0.248) 0.874 13.812 ( 0.468 0.153 -0.640) 0.807 18.605 ( 0.186 1.527 -2.077) 2.584 18.653 ( 0.307 0.158 0.418) 0.542 20.051 ( -5.739 -0.048 8.729) 10.447 20.257 ( -0.898 -1.101 -4.193) 4.427 21.602 ( -0.831 -0.505 4.455) 4.560 21.793 ( 6.765 1.301 -13.639) 15.280 26.397 ( -0.160 0.359 2.316) 2.349 26.601 ( 4.074 -3.596 -0.242) 5.439 26.876 ( -2.897 1.201 1.224) 3.367 26.972 ( 0.895 2.946 0.073) 3.080 ======================= Grid point 380 (191/205) ======================= q-point: (-0.56 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -1.580 -0.000 3.194) 3.564 1.463 ( -10.870 -0.000 -9.249) 14.272 1.595 ( -1.577 -0.000 5.686) 5.901 1.800 ( -8.449 -0.000 5.037) 9.837 2.347 ( 2.398 0.000 -2.461) 3.436 2.394 ( -4.284 -0.000 2.520) 4.970 2.776 ( 7.335 0.000 -3.011) 7.929 2.828 ( -4.926 -0.000 4.974) 7.001 3.224 ( 1.279 0.000 2.075) 2.437 3.328 ( 0.567 0.000 -3.479) 3.525 3.821 ( 3.482 0.000 1.780) 3.911 3.921 ( 2.075 0.000 0.208) 2.085 4.160 ( -1.720 -0.000 4.005) 4.358 4.289 ( -0.932 -0.000 -4.238) 4.339 5.276 ( -4.950 -0.000 12.701) 13.631 5.474 ( 0.597 0.000 -2.429) 2.502 6.024 ( 0.733 0.000 1.897) 2.033 6.165 ( 4.832 0.000 -9.266) 10.450 6.444 ( -0.415 -0.000 4.155) 4.175 6.610 ( 1.283 0.000 -5.609) 5.753 7.298 ( -1.817 -0.000 -0.517) 1.889 7.320 ( 0.325 0.000 -2.881) 2.899 8.664 ( -7.359 -0.000 18.435) 19.849 8.910 ( 3.130 0.000 -7.921) 8.517 10.075 ( -9.866 -0.000 28.995) 30.627 10.609 ( 8.841 0.000 -22.228) 23.921 11.662 ( 1.939 0.000 -2.778) 3.388 11.669 ( 0.717 0.000 -1.085) 1.301 12.526 ( -1.111 -0.000 1.825) 2.137 12.563 ( 1.116 0.000 -2.853) 3.063 13.781 ( 0.736 0.000 0.756) 1.055 13.822 ( -0.329 -0.000 -0.651) 0.729 18.646 ( 0.786 0.000 -1.054) 1.315 18.679 ( 0.468 0.000 -1.936) 1.991 20.105 ( -3.065 -0.000 10.462) 10.902 20.207 ( 3.709 0.000 -2.656) 4.562 21.636 ( -2.596 -0.000 2.577) 3.658 21.778 ( 5.254 0.000 -14.833) 15.736 26.380 ( -0.371 -0.000 1.627) 1.669 26.509 ( -3.557 -0.000 -2.653) 4.437 26.975 ( 2.721 0.000 -1.743) 3.231 27.017 ( -0.726 -0.000 -0.507) 0.885 ======================= Grid point 382 (192/205) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 7.006 0.366 11.430) 13.411 1.210 ( -10.017 -0.971 -11.127) 15.004 1.669 ( 3.894 1.913 5.517) 7.018 1.727 ( -1.826 -3.107 -0.031) 3.604 2.337 ( -4.557 -0.912 2.941) 5.499 2.371 ( 0.998 -0.896 0.000) 1.341 2.764 ( -5.724 1.171 5.554) 8.061 2.852 ( 3.662 0.809 -2.083) 4.290 3.249 ( 0.582 0.885 1.272) 1.655 3.322 ( 2.112 0.058 -5.320) 5.724 3.876 ( 1.029 0.113 3.418) 3.572 3.935 ( 0.059 0.699 -1.236) 1.421 4.174 ( -0.274 -1.765 3.286) 3.740 4.257 ( 0.058 -1.628 -4.453) 4.742 5.278 ( -4.676 0.045 13.398) 14.190 5.464 ( 0.582 0.410 -3.163) 3.242 6.039 ( -0.169 1.040 1.922) 2.192 6.172 ( 3.705 1.133 -9.797) 10.535 6.468 ( -0.475 0.196 5.602) 5.626 6.580 ( -0.110 0.470 -5.860) 5.880 7.281 ( -0.043 -0.505 -0.052) 0.509 7.317 ( 1.408 -0.634 -3.412) 3.745 8.658 ( -7.120 0.049 18.120) 19.468 8.917 ( 3.711 0.159 -8.103) 8.914 10.089 ( -10.181 -0.291 28.304) 30.081 10.616 ( 8.736 -0.244 -22.613) 24.243 11.669 ( -0.007 -0.241 -1.037) 1.065 11.673 ( 1.193 -0.179 -2.597) 2.864 12.520 ( -0.955 -0.002 1.855) 2.086 12.565 ( 1.223 -0.031 -2.779) 3.037 13.797 ( 0.596 0.206 0.706) 0.947 13.810 ( -0.414 0.107 -0.798) 0.905 18.651 ( 0.647 0.659 -0.501) 1.051 18.668 ( -0.082 0.204 -1.980) 1.992 20.107 ( -4.485 -0.190 9.990) 10.952 20.246 ( 2.728 -0.477 -3.214) 4.242 21.611 ( -2.358 0.211 2.995) 3.818 21.778 ( 5.874 0.231 -14.341) 15.499 26.400 ( 0.825 -0.190 2.572) 2.708 26.448 ( -1.654 -0.607 -2.479) 3.041 26.987 ( -1.085 1.560 0.310) 1.925 27.005 ( 0.882 -0.352 -1.657) 1.910 ======================= Grid point 383 (193/205) ======================= q-point: (-0.33 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -4.493 -1.095 -7.892) 9.148 1.225 ( 11.547 -0.507 12.630) 17.120 1.688 ( 0.640 -1.057 -0.696) 1.418 1.836 ( 8.943 0.780 0.532) 8.992 2.289 ( -5.039 -2.314 4.199) 6.955 2.405 ( 0.724 -1.024 3.691) 3.899 2.694 ( -5.431 -0.116 3.384) 6.400 2.857 ( -0.432 3.242 -0.061) 3.272 3.250 ( -0.603 1.294 2.141) 2.574 3.337 ( 4.679 -0.875 -8.281) 9.552 3.875 ( -2.850 1.465 -1.041) 3.369 3.910 ( -1.062 -0.781 -0.095) 1.322 4.207 ( 0.199 -1.566 3.219) 3.585 4.270 ( 1.909 -3.570 -2.550) 4.785 5.287 ( -4.216 0.475 13.238) 13.901 5.450 ( 0.087 0.304 -2.315) 2.337 6.026 ( -0.560 2.729 0.460) 2.824 6.153 ( 2.713 1.306 -10.075) 10.515 6.490 ( -1.127 0.386 5.874) 5.993 6.534 ( -0.518 0.628 -5.239) 5.302 7.301 ( 1.543 -1.208 -0.083) 1.962 7.331 ( 2.277 -0.484 -3.293) 4.033 8.655 ( -6.610 0.167 17.709) 18.903 8.928 ( 3.904 0.224 -8.331) 9.203 10.094 ( -10.712 -0.514 27.806) 29.802 10.619 ( 8.586 -0.464 -23.259) 24.797 11.659 ( -0.594 -0.278 -1.054) 1.241 11.672 ( 0.264 -0.463 -2.107) 2.174 12.518 ( -0.790 -0.178 1.905) 2.070 12.569 ( 1.338 0.140 -2.686) 3.004 13.793 ( -0.490 0.505 -0.464) 0.843 13.810 ( 0.421 0.081 0.138) 0.450 18.647 ( -0.187 0.982 -1.222) 1.579 18.656 ( 0.312 0.447 -0.589) 0.803 20.085 ( -5.422 -0.226 9.226) 10.704 20.260 ( 0.899 -0.851 -3.761) 3.960 21.595 ( -1.832 0.114 3.777) 4.199 21.790 ( 6.510 0.629 -13.925) 15.384 26.406 ( -0.444 0.861 0.475) 1.079 26.470 ( 2.877 -2.457 0.906) 3.891 26.945 ( -2.992 1.045 1.114) 3.360 27.010 ( 1.010 1.288 -1.176) 2.015 ======================= Grid point 384 (194/205) ======================= q-point: (-0.22 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 2.674 -1.550 -2.308) 3.858 1.500 ( 10.538 -0.212 12.249) 16.159 1.720 ( 3.853 -0.824 -3.279) 5.127 1.953 ( 5.663 5.035 1.818) 7.793 2.268 ( -1.998 -3.026 2.841) 4.607 2.441 ( -1.963 -0.224 7.715) 7.964 2.634 ( -3.930 -3.407 -1.235) 5.346 2.802 ( -3.069 3.769 1.939) 5.233 3.246 ( -0.647 1.289 3.427) 3.719 3.383 ( 6.236 -1.863 -10.230) 12.125 3.777 ( -4.364 1.506 -4.527) 6.465 3.895 ( -1.822 -1.279 -0.255) 2.241 4.249 ( 0.991 -2.000 2.908) 3.666 4.326 ( 2.079 -3.690 0.389) 4.253 5.289 ( -4.118 1.634 11.277) 12.116 5.437 ( -0.845 -0.385 0.499) 1.054 5.995 ( 0.351 3.471 -1.984) 4.013 6.122 ( 2.105 0.855 -9.853) 10.111 6.484 ( -0.980 0.946 -1.003) 1.691 6.507 ( -0.957 0.156 1.915) 2.147 7.340 ( 2.018 -1.318 -0.466) 2.455 7.354 ( 2.474 0.160 -2.655) 3.632 8.657 ( -6.236 0.347 17.439) 18.524 8.937 ( 3.683 0.085 -8.487) 9.252 10.090 ( -11.115 -0.524 27.659) 29.813 10.618 ( 8.611 -0.676 -23.784) 25.304 11.641 ( -0.703 -0.052 -1.094) 1.302 11.663 ( -0.524 -0.760 -1.587) 1.836 12.520 ( -0.661 -0.376 1.840) 1.991 12.574 ( 1.380 0.370 -2.499) 2.879 13.779 ( -0.377 0.458 -0.528) 0.794 13.814 ( 0.164 0.222 0.069) 0.284 18.627 ( 0.044 1.392 -1.606) 2.126 18.655 ( -0.191 0.055 0.174) 0.264 20.050 ( -5.381 -0.032 8.493) 10.055 20.242 ( -0.788 -0.976 -3.978) 4.171 21.596 ( -1.202 -0.246 4.443) 4.609 21.809 ( 6.802 0.936 -13.629) 15.261 26.405 ( 0.568 0.628 0.500) 0.983 26.554 ( 3.461 -2.852 1.803) 4.834 26.892 ( -3.381 0.921 1.645) 3.871 27.009 ( 1.085 2.102 -0.759) 2.484 ======================= Grid point 385 (195/205) ======================= q-point: (-0.11 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 7.485 -1.039 5.077) 9.104 1.684 ( 3.001 -1.332 4.850) 5.857 1.800 ( 6.224 1.047 2.167) 6.673 1.986 ( 2.667 5.481 2.788) 6.702 2.278 ( -0.466 0.798 0.219) 0.950 2.438 ( -3.696 -0.542 8.515) 9.298 2.583 ( -3.827 -3.026 -3.049) 5.754 2.759 ( -1.432 -0.271 1.183) 1.877 3.255 ( -0.199 1.251 4.080) 4.272 3.418 ( 3.134 -1.108 -8.977) 9.573 3.684 ( -1.643 -0.578 -5.646) 5.909 3.870 ( -1.299 -1.183 -1.602) 2.378 4.297 ( 0.759 -1.740 2.774) 3.362 4.384 ( 1.145 -2.242 2.213) 3.352 5.268 ( -3.940 1.822 8.363) 9.423 5.433 ( -1.814 -0.392 3.854) 4.278 5.973 ( 1.839 2.225 -4.111) 5.024 6.091 ( 2.083 0.403 -9.228) 9.469 6.457 ( -0.480 0.848 -1.022) 1.412 6.502 ( -0.821 0.094 1.474) 1.690 7.371 ( 2.028 1.075 -1.452) 2.716 7.379 ( 1.630 -1.233 -1.358) 2.454 8.660 ( -6.196 0.537 17.482) 18.555 8.942 ( 3.248 -0.194 -8.578) 9.174 10.080 ( -11.342 -0.207 27.902) 30.120 10.617 ( 8.647 -0.738 -23.867) 25.395 11.625 ( -0.315 0.167 -1.038) 1.098 11.648 ( -0.715 -0.773 -1.394) 1.747 12.524 ( -0.573 -0.552 1.619) 1.805 12.578 ( 1.274 0.584 -2.229) 2.633 13.768 ( -0.254 0.485 -0.247) 0.601 13.815 ( 0.080 0.064 -0.192) 0.217 18.612 ( 0.568 1.366 -1.536) 2.133 18.650 ( -0.642 -0.449 0.068) 0.786 20.019 ( -4.418 0.271 8.147) 9.272 20.203 ( -1.540 -0.887 -3.810) 4.204 21.613 ( -0.723 -0.759 4.587) 4.705 21.829 ( 6.542 1.170 -13.522) 15.067 26.417 ( 0.764 0.525 0.655) 1.135 26.638 ( 2.606 -2.743 1.639) 4.123 26.846 ( -2.602 0.582 1.813) 3.225 27.010 ( 1.447 2.221 -0.605) 2.719 ======================= Grid point 391 (196/205) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -4.915 -0.000 -8.646) 9.945 1.224 ( 12.010 0.000 13.568) 18.120 1.682 ( 0.897 0.000 -2.217) 2.391 1.843 ( 10.826 0.000 0.925) 10.866 2.270 ( -5.587 -0.000 4.612) 7.245 2.396 ( 1.102 0.000 2.986) 3.183 2.693 ( -6.637 -0.000 3.664) 7.581 2.882 ( -0.128 -0.000 0.276) 0.304 3.259 ( -0.802 -0.000 2.029) 2.181 3.330 ( 4.097 0.000 -7.904) 8.903 3.894 ( -1.262 -0.000 2.758) 3.033 3.897 ( -2.973 -0.000 -3.723) 4.765 4.199 ( 1.090 0.000 3.641) 3.801 4.239 ( 1.738 0.000 -3.701) 4.088 5.290 ( -4.034 -0.000 13.638) 14.223 5.452 ( -0.030 -0.000 -2.807) 2.807 6.047 ( -0.417 -0.000 0.963) 1.049 6.162 ( 2.208 0.000 -10.065) 10.304 6.493 ( -1.184 -0.000 6.277) 6.388 6.538 ( -0.668 -0.000 -5.420) 5.461 7.292 ( 1.559 0.000 -0.229) 1.576 7.328 ( 2.614 0.000 -3.293) 4.204 8.656 ( -6.601 -0.000 17.784) 18.969 8.929 ( 3.894 0.000 -8.424) 9.280 10.091 ( -10.691 -0.000 27.849) 29.830 10.615 ( 8.582 0.000 -23.289) 24.820 11.657 ( -0.480 -0.000 -1.002) 1.111 11.669 ( 0.244 0.000 -2.277) 2.290 12.516 ( -0.851 -0.000 1.914) 2.095 12.570 ( 1.409 0.000 -2.703) 3.048 13.797 ( -0.464 -0.000 -0.989) 1.092 13.811 ( 0.377 0.000 0.658) 0.758 18.655 ( -0.146 -0.000 -1.672) 1.678 18.658 ( 0.143 0.000 -0.141) 0.201 20.084 ( -5.296 -0.000 9.102) 10.530 20.254 ( 0.879 0.000 -3.587) 3.693 21.596 ( -1.954 -0.000 3.794) 4.268 21.795 ( 6.554 0.000 -13.954) 15.416 26.416 ( -0.010 -0.000 -2.154) 2.154 26.449 ( 2.425 0.000 3.570) 4.315 26.953 ( -3.118 -0.000 0.767) 3.211 27.019 ( 1.135 0.000 -0.928) 1.466 ======================= Grid point 393 (197/205) ======================= q-point: (-0.33 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 2.525 -1.098 -2.513) 3.728 1.505 ( 10.824 0.389 11.585) 15.859 1.718 ( 5.490 0.115 -2.852) 6.188 2.019 ( 10.314 3.418 -1.421) 10.958 2.219 ( -4.701 -2.804 5.926) 8.067 2.438 ( -0.644 -0.218 6.684) 6.719 2.597 ( -5.859 -1.469 -0.768) 6.089 2.844 ( -4.318 1.731 2.045) 5.082 3.258 ( -1.247 0.372 4.120) 4.321 3.362 ( 5.958 -0.849 -9.969) 11.645 3.796 ( -4.959 0.921 -4.691) 6.888 3.878 ( -2.122 -0.870 0.676) 2.391 4.241 ( 1.952 0.857 2.256) 3.103 4.276 ( 2.881 -3.030 -1.015) 4.302 5.309 ( -3.712 0.939 13.036) 13.586 5.429 ( -1.218 -0.464 -1.106) 1.710 6.037 ( 0.060 1.919 -0.994) 2.162 6.126 ( 1.378 -0.099 -10.269) 10.362 6.495 ( -0.755 0.637 -2.065) 2.290 6.505 ( -1.667 -0.289 3.535) 3.919 7.325 ( 2.217 -0.649 -0.757) 2.431 7.358 ( 3.057 0.147 -2.643) 4.044 8.661 ( -6.193 0.140 17.549) 18.611 8.938 ( 3.621 0.053 -8.694) 9.418 10.085 ( -10.940 -0.180 27.722) 29.803 10.611 ( 8.631 -0.276 -23.940) 25.449 11.642 ( -0.464 0.051 -1.078) 1.175 11.654 ( -0.546 -0.360 -1.774) 1.891 12.516 ( -0.760 -0.141 1.971) 2.117 12.577 ( 1.506 0.127 -2.650) 3.050 13.783 ( -0.265 0.152 -1.125) 1.165 13.817 ( -0.030 0.114 0.615) 0.626 18.642 ( 0.036 0.688 -1.353) 1.519 18.654 ( -0.599 -0.125 0.067) 0.616 20.050 ( -5.145 -0.009 8.360) 9.816 20.232 ( -0.723 -0.388 -3.860) 3.946 21.594 ( -1.432 -0.057 4.548) 4.769 21.819 ( 6.817 0.328 -13.740) 15.342 26.413 ( 1.178 0.408 -1.574) 2.008 26.524 ( 2.948 -1.180 4.058) 5.153 26.901 ( -3.628 0.344 1.581) 3.972 27.029 ( 1.124 0.743 -0.984) 1.668 ======================= Grid point 394 (198/205) ======================= q-point: (-0.22 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 7.623 -1.841 4.298) 8.942 1.676 ( 4.661 -0.094 2.237) 5.171 1.824 ( 5.557 2.017 4.953) 7.712 2.074 ( 2.213 6.777 1.609) 7.309 2.254 ( 0.607 -3.964 1.882) 4.430 2.432 ( -4.177 -0.599 7.400) 8.519 2.549 ( -0.041 -1.468 -3.844) 4.115 2.759 ( -5.299 0.217 1.666) 5.558 3.268 ( -1.001 0.608 5.843) 5.960 3.400 ( 4.363 -1.228 -9.492) 10.519 3.679 ( -4.547 -0.040 -4.256) 6.228 3.854 ( -1.086 -1.014 -1.109) 1.854 4.287 ( 2.650 0.387 1.318) 2.985 4.346 ( 2.830 -2.913 0.637) 4.111 5.304 ( -4.074 2.899 9.851) 11.047 5.414 ( -2.273 -2.046 3.022) 4.300 6.012 ( 0.914 2.969 -3.667) 4.806 6.089 ( 1.341 -0.775 -9.222) 9.351 6.470 ( -0.374 0.876 -1.287) 1.601 6.498 ( -1.618 -0.503 2.426) 2.959 7.359 ( 1.784 -1.059 -1.302) 2.449 7.388 ( 2.635 0.837 -1.963) 3.391 8.667 ( -6.126 0.366 17.574) 18.615 8.940 ( 3.134 -0.105 -8.829) 9.369 10.078 ( -10.893 -0.021 27.896) 29.947 10.608 ( 8.824 -0.521 -24.165) 25.731 11.628 ( -0.265 0.192 -1.160) 1.205 11.638 ( -0.457 -0.580 -1.405) 1.587 12.517 ( -0.724 -0.307 1.912) 2.067 12.584 ( 1.449 0.312 -2.555) 2.954 13.773 ( 0.007 0.211 -1.043) 1.064 13.816 ( -0.338 0.140 0.504) 0.623 18.628 ( -0.311 0.872 -0.818) 1.236 18.644 ( -0.504 -0.299 -0.296) 0.657 20.022 ( -4.170 0.204 8.091) 9.104 20.192 ( -1.395 -0.608 -3.834) 4.125 21.605 ( -0.998 -0.324 4.794) 4.908 21.841 ( 6.565 0.586 -13.725) 15.225 26.424 ( 1.325 0.437 -1.008) 1.721 26.606 ( 2.568 -1.573 3.731) 4.795 26.852 ( -3.152 0.271 1.926) 3.704 27.035 ( 1.270 1.256 -1.258) 2.185 ======================= Grid point 395 (199/205) ======================= q-point: (-0.11 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 6.733 -1.660 6.732) 9.664 1.721 ( 0.206 1.118 1.001) 1.515 1.875 ( -1.957 0.581 6.613) 6.921 2.053 ( -1.928 0.725 -2.509) 3.246 2.294 ( 2.100 1.455 5.574) 6.131 2.447 ( 0.093 1.585 3.182) 3.556 2.510 ( -1.588 0.657 -2.268) 2.846 2.726 ( -0.233 -3.351 -1.128) 3.544 3.279 ( -1.807 0.975 5.744) 6.099 3.391 ( -0.027 -0.139 -5.631) 5.632 3.615 ( -1.516 -3.362 -3.454) 5.053 3.845 ( 0.522 -0.387 -2.261) 2.352 4.332 ( 2.166 1.153 0.959) 2.635 4.410 ( 2.138 -1.086 1.046) 2.617 5.269 ( -3.672 2.435 7.264) 8.496 5.414 ( -3.012 -2.106 5.930) 6.977 5.988 ( 1.735 1.684 -5.198) 5.733 6.066 ( 1.666 -0.775 -8.001) 8.210 6.447 ( -1.836 0.671 1.455) 2.437 6.500 ( 1.061 -0.623 -1.288) 1.781 7.380 ( 0.796 -1.336 -1.635) 2.256 7.406 ( 1.756 1.542 -1.615) 2.840 8.672 ( -6.250 0.585 17.790) 18.865 8.934 ( 2.701 -0.399 -8.780) 9.194 10.073 ( -10.814 0.505 28.274) 30.275 10.608 ( 8.854 -0.492 -23.819) 25.417 11.617 ( -0.076 -0.271 -1.276) 1.307 11.633 ( 0.641 0.069 -1.298) 1.449 12.520 ( -0.712 -0.479 1.739) 1.939 12.588 ( 1.217 0.499 -2.435) 2.767 13.767 ( 0.110 0.365 -0.640) 0.746 13.813 ( -0.296 -0.142 0.203) 0.386 18.610 ( -1.087 -0.333 -0.348) 1.189 18.642 ( 0.738 0.338 -0.865) 1.186 20.012 ( -2.896 0.504 8.361) 8.863 20.152 ( -0.931 -0.643 -3.462) 3.642 21.623 ( -0.824 -0.713 4.327) 4.462 21.854 ( 5.867 0.815 -13.889) 15.099 26.434 ( 0.839 0.511 -0.634) 1.169 26.672 ( 1.598 -1.087 2.406) 3.086 26.822 ( -1.675 -0.360 1.663) 2.388 27.036 ( 0.747 1.163 -1.370) 1.946 ======================= Grid point 402 (200/205) ======================= q-point: (-0.33 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 7.705 0.000 4.201) 8.776 1.676 ( 5.409 0.000 0.758) 5.462 1.842 ( 5.092 0.000 6.408) 8.185 2.157 ( 2.993 0.000 -3.981) 4.980 2.190 ( -0.430 -0.000 7.894) 7.906 2.425 ( -4.186 -0.000 5.706) 7.077 2.540 ( 2.434 0.000 -3.132) 3.967 2.762 ( -7.510 -0.000 1.823) 7.728 3.272 ( -1.313 -0.000 6.833) 6.958 3.390 ( 4.814 0.000 -9.854) 10.966 3.680 ( -5.552 -0.000 -4.105) 6.904 3.846 ( -1.000 -0.000 -0.784) 1.271 4.305 ( 2.077 0.000 3.871) 4.393 4.310 ( 4.740 0.000 -3.017) 5.619 5.333 ( -3.881 -0.000 12.734) 13.312 5.390 ( -2.698 -0.000 0.455) 2.736 6.041 ( 0.676 0.000 -2.269) 2.367 6.077 ( 0.952 0.000 -10.493) 10.536 6.479 ( 0.909 0.000 -3.416) 3.535 6.492 ( -3.140 -0.000 4.800) 5.736 7.351 ( 1.875 0.000 -1.442) 2.366 7.395 ( 2.837 0.000 -2.007) 3.475 8.670 ( -6.094 -0.000 17.614) 18.639 8.939 ( 3.075 0.000 -8.925) 9.440 10.079 ( -10.708 -0.000 27.918) 29.901 10.604 ( 8.897 0.000 -24.302) 25.879 11.630 ( -0.769 -0.000 -1.491) 1.678 11.632 ( 0.163 0.000 -1.133) 1.145 12.515 ( -0.776 -0.000 2.021) 2.165 12.586 ( 1.513 0.000 -2.674) 3.072 13.774 ( 0.105 0.000 -1.369) 1.373 13.817 ( -0.498 -0.000 0.788) 0.932 18.635 ( -1.645 -0.000 0.165) 1.654 18.642 ( 0.536 0.000 -1.143) 1.263 20.024 ( -4.070 -0.000 8.089) 9.055 20.187 ( -1.340 -0.000 -3.862) 4.088 21.603 ( -1.112 -0.000 4.929) 5.053 21.845 ( 6.580 0.000 -13.860) 15.342 26.427 ( 1.577 0.000 -1.876) 2.451 26.595 ( 2.506 0.000 4.787) 5.404 26.854 ( -3.346 -0.000 1.880) 3.838 27.044 ( 1.197 0.000 -1.442) 1.874 ======================= Grid point 403 (201/205) ======================= q-point: (-0.22 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 7.222 -0.916 6.750) 9.927 1.736 ( 2.068 0.690 -0.522) 2.242 1.889 ( -3.384 0.910 8.127) 8.851 2.050 ( -9.167 -0.603 -2.934) 9.644 2.307 ( 6.382 0.482 6.094) 8.838 2.453 ( 2.644 -0.223 1.543) 3.069 2.561 ( 0.700 5.402 -2.139) 5.852 2.661 ( -3.357 -5.258 -0.245) 6.243 3.290 ( -2.357 0.496 7.795) 8.158 3.388 ( 1.391 -0.206 -7.821) 7.946 3.580 ( -4.053 -1.301 -1.561) 4.534 3.839 ( 1.005 -0.285 -1.935) 2.199 4.354 ( 3.114 1.790 1.180) 3.781 4.388 ( 4.387 -1.784 -1.165) 4.877 5.315 ( -4.082 3.865 7.685) 9.522 5.372 ( -3.666 -3.706 6.329) 8.199 6.017 ( 1.152 2.220 -6.683) 7.136 6.048 ( 1.092 -1.716 -6.320) 6.639 6.459 ( -2.887 0.780 2.663) 4.004 6.488 ( 1.634 -0.803 -2.273) 2.912 7.366 ( 0.861 -0.568 -1.871) 2.137 7.421 ( 1.934 0.586 -1.760) 2.680 8.678 ( -6.202 0.250 17.817) 18.867 8.930 ( 2.600 -0.168 -8.916) 9.289 10.079 ( -10.390 0.265 28.205) 30.059 10.603 ( 9.133 -0.215 -24.082) 25.757 11.613 ( -0.197 -0.176 -1.439) 1.463 11.634 ( 0.981 0.089 -1.167) 1.528 12.515 ( -0.810 -0.167 1.960) 2.128 12.593 ( 1.320 0.174 -2.672) 2.985 13.770 ( 0.435 0.095 -1.362) 1.433 13.812 ( -0.752 -0.009 0.831) 1.121 18.604 ( -2.022 -0.269 0.132) 2.045 18.648 ( 1.029 0.257 -1.000) 1.458 20.018 ( -2.780 0.228 8.454) 8.902 20.145 ( -0.790 -0.284 -3.610) 3.706 21.617 ( -1.024 -0.208 4.651) 4.767 21.861 ( 5.935 0.244 -14.217) 15.408 26.440 ( 1.242 0.201 -1.637) 2.064 26.662 ( 1.963 -0.314 3.876) 4.357 26.817 ( -2.372 -0.217 1.657) 2.902 27.047 ( 0.518 0.428 -1.892) 2.008 ======================= Grid point 404 (202/205) ======================= q-point: (-0.11 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -1.786 -0.802 2.132) 2.895 1.718 ( -3.898 2.395 4.452) 6.384 1.852 ( -4.800 0.220 5.047) 6.968 1.950 ( -1.976 -5.253 -1.895) 5.924 2.350 ( -3.530 2.974 -0.719) 4.671 2.493 ( 0.309 -0.265 0.532) 0.670 2.533 ( 5.019 4.775 3.826) 7.914 2.722 ( 4.426 -3.870 -2.535) 6.403 3.271 ( -4.767 0.997 7.021) 8.545 3.352 ( -0.853 -0.332 -3.964) 4.068 3.553 ( -1.335 -3.637 0.638) 3.927 3.849 ( 1.437 0.291 -1.935) 2.428 4.390 ( 2.229 2.705 0.306) 3.518 4.454 ( 3.441 0.375 -1.352) 3.716 5.273 ( -2.982 2.515 6.390) 7.487 5.380 ( -3.785 -3.327 7.754) 9.248 5.987 ( 1.809 0.672 -6.960) 7.222 6.040 ( 1.153 -1.025 -5.647) 5.854 6.423 ( -2.592 0.135 2.178) 3.388 6.515 ( 2.644 -0.724 -2.776) 3.902 7.365 ( -0.138 -1.054 -1.945) 2.216 7.427 ( 0.894 1.165 -1.825) 2.342 8.683 ( -6.326 0.518 17.928) 19.018 8.918 ( 2.358 -0.450 -8.634) 8.961 10.081 ( -10.308 0.865 28.480) 30.301 10.607 ( 9.127 -0.113 -23.394) 25.111 11.610 ( 0.831 -0.294 -1.682) 1.899 11.648 ( 1.664 0.397 -1.135) 2.053 12.515 ( -0.798 -0.336 1.824) 2.019 12.594 ( 0.995 0.341 -2.647) 2.848 13.769 ( 0.452 0.333 -0.949) 1.102 13.806 ( -0.569 -0.373 0.542) 0.870 18.578 ( -1.656 -1.037 0.168) 1.961 18.660 ( 1.453 0.399 -1.118) 1.877 20.033 ( -1.792 0.573 9.152) 9.344 20.125 ( 0.767 -0.392 -3.125) 3.242 21.628 ( -1.195 -0.523 3.768) 3.988 21.860 ( 5.029 0.447 -14.592) 15.441 26.445 ( 0.836 0.506 -1.436) 1.737 26.702 ( 0.345 0.775 1.877) 2.060 26.806 ( -0.481 -1.613 1.239) 2.090 27.031 ( -0.550 0.294 -2.057) 2.149 ======================= Grid point 412 (203/205) ======================= q-point: (-0.22 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -1.841 -0.000 2.720) 3.285 1.740 ( -4.078 -0.000 5.763) 7.060 1.876 ( -5.903 -0.000 -0.761) 5.952 1.885 ( -0.882 -0.000 2.274) 2.439 2.376 ( -3.442 -0.000 -2.841) 4.463 2.487 ( -0.082 -0.000 2.375) 2.377 2.590 ( 2.556 0.000 6.398) 6.890 2.673 ( 7.055 0.000 -4.734) 8.496 3.280 ( -5.350 -0.000 8.633) 10.156 3.350 ( -0.167 -0.000 -6.939) 6.941 3.525 ( -1.998 -0.000 2.437) 3.152 3.851 ( 1.636 0.000 -1.708) 2.365 4.413 ( 1.870 0.000 1.550) 2.429 4.453 ( 5.496 0.000 -3.535) 6.535 5.310 ( -3.146 -0.000 3.850) 4.972 5.337 ( -4.312 -0.000 10.768) 11.599 5.994 ( 1.782 0.000 -9.150) 9.322 6.030 ( 0.621 0.000 -3.302) 3.360 6.424 ( -2.980 -0.000 2.291) 3.758 6.509 ( 2.766 0.000 -2.965) 4.055 7.357 ( -0.095 -0.000 -2.013) 2.015 7.436 ( 0.905 0.000 -1.897) 2.102 8.687 ( -6.288 -0.000 17.908) 18.979 8.915 ( 2.338 0.000 -8.690) 8.999 10.087 ( -10.128 -0.000 28.379) 30.132 10.606 ( 9.314 0.000 -23.518) 25.296 11.608 ( 0.881 0.000 -1.687) 1.903 11.651 ( 1.726 0.000 -1.108) 2.051 12.513 ( -0.832 -0.000 1.921) 2.093 12.596 ( 1.023 0.000 -2.747) 2.931 13.771 ( 0.760 0.000 -1.532) 1.710 13.803 ( -0.946 -0.000 1.068) 1.426 18.570 ( -1.927 -0.000 0.347) 1.958 18.663 ( 1.360 0.000 -1.065) 1.728 20.037 ( -1.785 -0.000 9.334) 9.504 20.122 ( 0.902 0.000 -3.333) 3.453 21.624 ( -1.315 -0.000 3.993) 4.204 21.863 ( 5.090 0.000 -14.829) 15.679 26.449 ( 1.110 0.000 -1.891) 2.193 26.710 ( 1.090 0.000 2.601) 2.821 26.792 ( -1.477 -0.000 1.255) 1.938 27.033 ( -0.656 -0.000 -2.377) 2.466 ======================= Grid point 413 (204/205) ======================= q-point: (-0.11 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -10.613 -0.493 -3.005) 11.041 1.687 ( -7.080 1.142 9.588) 11.973 1.842 ( 0.081 3.147 1.054) 3.320 1.901 ( 0.347 -4.158 -1.825) 4.554 2.267 ( -3.915 -0.195 -3.077) 4.983 2.487 ( -1.778 -0.559 2.589) 3.190 2.680 ( 4.144 4.324 3.884) 7.138 2.760 ( 4.090 -3.058 -3.219) 6.037 3.234 ( -6.380 0.503 10.237) 12.073 3.306 ( -0.207 -0.656 -6.014) 6.053 3.540 ( 0.437 -1.774 3.979) 4.378 3.867 ( 1.077 0.354 -0.190) 1.150 4.434 ( 0.704 1.794 0.063) 1.928 4.503 ( 3.155 1.208 -3.680) 4.995 5.286 ( -1.857 1.852 5.465) 6.062 5.350 ( -3.241 -2.723 8.971) 9.920 5.976 ( 2.746 -0.226 -8.678) 9.105 6.017 ( 0.184 -0.564 -3.701) 3.748 6.398 ( -1.638 -0.176 1.975) 2.572 6.536 ( 2.566 -0.482 -3.218) 4.144 7.342 ( -0.420 -0.476 -1.744) 1.856 7.428 ( -0.003 0.566 -2.023) 2.101 8.692 ( -6.496 0.329 17.707) 18.863 8.901 ( 2.358 -0.266 -8.249) 8.584 10.095 ( -10.134 0.581 28.422) 30.181 10.616 ( 9.267 0.098 -22.786) 24.598 11.620 ( 1.893 -0.082 -1.957) 2.724 11.675 ( 1.924 0.279 -1.050) 2.210 12.512 ( -0.757 -0.158 1.835) 1.991 12.592 ( 0.711 0.150 -2.776) 2.870 13.774 ( 0.728 0.324 -1.225) 1.462 13.796 ( -0.741 -0.453 0.865) 1.226 18.549 ( -1.135 -0.758 0.616) 1.498 18.676 ( 1.170 0.102 -1.451) 1.866 20.071 ( -1.499 0.401 10.245) 10.362 20.136 ( 3.225 -0.128 -3.214) 4.554 21.622 ( -1.675 -0.299 3.051) 3.493 21.845 ( 4.150 0.168 -15.144) 15.703 26.453 ( 1.178 0.447 -2.296) 2.619 26.709 ( -2.264 1.868 1.019) 3.107 26.794 ( -0.278 -2.395 1.255) 2.718 27.007 ( -0.038 -0.054 -2.755) 2.755 ======================= Grid point 422 (205/205) ======================= q-point: (-0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 6.24e-05 6.24e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -6.320 -0.000 -1.910) 6.602 1.609 ( -9.369 -0.000 6.526) 11.418 1.826 ( -1.509 -0.000 -3.949) 4.227 1.912 ( 1.487 0.000 1.514) 2.122 2.225 ( 0.365 0.000 0.800) 0.879 2.463 ( -2.853 -0.000 3.739) 4.703 2.747 ( -1.133 -0.000 -3.414) 3.597 2.761 ( 0.248 0.000 2.663) 2.674 3.206 ( -5.002 -0.000 10.551) 11.676 3.275 ( 2.226 0.000 -7.812) 8.123 3.594 ( 3.140 0.000 5.886) 6.671 3.887 ( 0.537 0.000 1.895) 1.969 4.436 ( -1.035 -0.000 -0.628) 1.211 4.514 ( 0.492 0.000 -4.244) 4.273 5.308 ( -0.175 -0.000 4.603) 4.606 5.346 ( -3.182 -0.000 9.420) 9.943 5.974 ( 4.368 0.000 -10.087) 10.992 5.989 ( -0.740 -0.000 -2.987) 3.077 6.397 ( 0.077 0.000 2.054) 2.056 6.549 ( 1.667 0.000 -3.600) 3.967 7.328 ( 0.147 0.000 -1.229) 1.238 7.412 ( -0.606 -0.000 -1.983) 2.074 8.691 ( -7.005 -0.000 17.299) 18.663 8.891 ( 2.643 0.000 -7.839) 8.273 10.107 ( -10.009 -0.000 28.206) 29.929 10.629 ( 9.156 0.000 -22.323) 24.128 11.644 ( 2.407 0.000 -1.986) 3.121 11.699 ( 1.487 0.000 -1.031) 1.809 12.511 ( -0.622 -0.000 1.814) 1.918 12.585 ( 0.512 0.000 -2.833) 2.879 13.782 ( 0.973 0.000 -1.526) 1.810 13.787 ( -0.885 -0.000 1.237) 1.521 18.541 ( -0.146 -0.000 1.060) 1.070 18.678 ( 0.299 0.000 -2.048) 2.069 20.111 ( -2.213 -0.000 11.176) 11.393 20.187 ( 5.404 0.000 -4.005) 6.726 21.608 ( -1.899 -0.000 2.438) 3.090 21.812 ( 3.450 0.000 -15.095) 15.484 26.462 ( 1.919 0.000 -3.347) 3.858 26.647 ( -6.461 -0.000 1.095) 6.553 26.795 ( 0.391 0.000 2.363) 2.395 27.001 ( 1.579 0.000 -3.999) 4.300 =================== 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 3/30618 10.0 61.866 76.975 51.509 0.000 -7.739 -0.000 3/30618 20.0 19.127 19.930 22.062 0.000 -4.441 -0.000 3/30618 30.0 10.076 9.832 12.410 0.000 -2.650 -0.000 3/30618 40.0 6.595 6.252 8.308 0.000 -1.809 -0.000 3/30618 50.0 4.853 4.530 6.221 0.000 -1.373 -0.000 3/30618 60.0 3.837 3.543 5.027 0.000 -1.128 -0.000 3/30618 70.0 3.183 2.909 4.294 0.000 -0.985 -0.000 3/30618 80.0 2.731 2.471 3.817 0.000 -0.899 -0.000 3/30618 90.0 2.401 2.149 3.491 0.000 -0.845 -0.000 3/30618 100.0 2.150 1.903 3.255 0.000 -0.809 -0.000 3/30618 110.0 1.953 1.709 3.072 0.000 -0.782 -0.000 3/30618 120.0 1.792 1.551 2.923 0.000 -0.760 -0.000 3/30618 130.0 1.659 1.421 2.796 0.000 -0.741 -0.000 3/30618 140.0 1.546 1.311 2.683 0.000 -0.722 -0.000 3/30618 150.0 1.448 1.218 2.581 0.000 -0.704 -0.000 3/30618 160.0 1.363 1.137 2.486 0.000 -0.686 -0.000 3/30618 170.0 1.288 1.066 2.398 0.000 -0.668 -0.000 3/30618 180.0 1.221 1.004 2.315 0.000 -0.651 -0.000 3/30618 190.0 1.161 0.949 2.237 0.000 -0.634 -0.000 3/30618 200.0 1.106 0.899 2.164 0.000 -0.617 -0.000 3/30618 210.0 1.057 0.855 2.094 0.000 -0.600 -0.000 3/30618 220.0 1.012 0.815 2.028 0.000 -0.584 -0.000 3/30618 230.0 0.971 0.778 1.966 0.000 -0.569 -0.000 3/30618 240.0 0.933 0.745 1.907 0.000 -0.554 -0.000 3/30618 250.0 0.898 0.714 1.851 0.000 -0.540 -0.000 3/30618 260.0 0.865 0.686 1.798 0.000 -0.526 -0.000 3/30618 270.0 0.835 0.660 1.747 0.000 -0.513 -0.000 3/30618 280.0 0.807 0.636 1.699 0.000 -0.500 -0.000 3/30618 290.0 0.781 0.614 1.653 0.000 -0.487 -0.000 3/30618 300.0 0.756 0.593 1.610 0.000 -0.476 -0.000 3/30618 310.0 0.733 0.574 1.569 0.000 -0.464 -0.000 3/30618 320.0 0.711 0.556 1.529 0.000 -0.454 -0.000 3/30618 330.0 0.691 0.539 1.492 0.000 -0.443 -0.000 3/30618 340.0 0.671 0.523 1.456 0.000 -0.433 -0.000 3/30618 350.0 0.653 0.508 1.421 0.000 -0.424 -0.000 3/30618 360.0 0.636 0.493 1.388 0.000 -0.414 -0.000 3/30618 370.0 0.619 0.480 1.357 0.000 -0.405 -0.000 3/30618 380.0 0.604 0.467 1.327 0.000 -0.397 -0.000 3/30618 390.0 0.589 0.455 1.298 0.000 -0.389 -0.000 3/30618 400.0 0.575 0.444 1.271 0.000 -0.381 -0.000 3/30618 410.0 0.561 0.433 1.244 0.000 -0.373 -0.000 3/30618 420.0 0.549 0.422 1.219 0.000 -0.366 -0.000 3/30618 430.0 0.536 0.413 1.194 0.000 -0.359 -0.000 3/30618 440.0 0.525 0.403 1.171 0.000 -0.352 -0.000 3/30618 450.0 0.513 0.394 1.148 0.000 -0.346 -0.000 3/30618 460.0 0.503 0.386 1.126 0.000 -0.339 -0.000 3/30618 470.0 0.492 0.377 1.105 0.000 -0.333 -0.000 3/30618 480.0 0.483 0.370 1.085 0.000 -0.327 -0.000 3/30618 490.0 0.473 0.362 1.065 0.000 -0.322 -0.000 3/30618 500.0 0.464 0.355 1.046 0.000 -0.316 -0.000 3/30618 510.0 0.455 0.348 1.028 0.000 -0.311 -0.000 3/30618 520.0 0.447 0.341 1.011 0.000 -0.306 -0.000 3/30618 530.0 0.439 0.335 0.993 0.000 -0.301 -0.000 3/30618 540.0 0.431 0.328 0.977 0.000 -0.296 -0.000 3/30618 550.0 0.423 0.323 0.961 0.000 -0.291 -0.000 3/30618 560.0 0.416 0.317 0.946 0.000 -0.286 -0.000 3/30618 570.0 0.409 0.311 0.931 0.000 -0.282 -0.000 3/30618 580.0 0.402 0.306 0.916 0.000 -0.278 -0.000 3/30618 590.0 0.395 0.301 0.902 0.000 -0.274 -0.000 3/30618 600.0 0.389 0.296 0.888 0.000 -0.270 -0.000 3/30618 610.0 0.383 0.291 0.875 0.000 -0.266 -0.000 3/30618 620.0 0.377 0.286 0.862 0.000 -0.262 -0.000 3/30618 630.0 0.371 0.282 0.850 0.000 -0.258 -0.000 3/30618 640.0 0.366 0.277 0.838 0.000 -0.255 -0.000 3/30618 650.0 0.360 0.273 0.826 0.000 -0.251 -0.000 3/30618 660.0 0.355 0.269 0.815 0.000 -0.248 -0.000 3/30618 670.0 0.350 0.265 0.803 0.000 -0.244 -0.000 3/30618 680.0 0.345 0.261 0.792 0.000 -0.241 -0.000 3/30618 690.0 0.340 0.257 0.782 0.000 -0.238 -0.000 3/30618 700.0 0.335 0.254 0.772 0.000 -0.235 -0.000 3/30618 710.0 0.330 0.250 0.762 0.000 -0.232 -0.000 3/30618 720.0 0.326 0.247 0.752 0.000 -0.229 -0.000 3/30618 730.0 0.322 0.243 0.742 0.000 -0.226 -0.000 3/30618 740.0 0.317 0.240 0.733 0.000 -0.223 -0.000 3/30618 750.0 0.313 0.237 0.724 0.000 -0.221 -0.000 3/30618 760.0 0.309 0.234 0.715 0.000 -0.218 -0.000 3/30618 770.0 0.305 0.231 0.706 0.000 -0.215 -0.000 3/30618 780.0 0.302 0.228 0.698 0.000 -0.213 -0.000 3/30618 790.0 0.298 0.225 0.690 0.000 -0.210 -0.000 3/30618 800.0 0.294 0.222 0.682 0.000 -0.208 -0.000 3/30618 810.0 0.291 0.219 0.674 0.000 -0.206 -0.000 3/30618 820.0 0.287 0.217 0.666 0.000 -0.203 -0.000 3/30618 830.0 0.284 0.214 0.659 0.000 -0.201 -0.000 3/30618 840.0 0.281 0.212 0.651 0.000 -0.199 -0.000 3/30618 850.0 0.277 0.209 0.644 0.000 -0.197 -0.000 3/30618 860.0 0.274 0.207 0.637 0.000 -0.195 -0.000 3/30618 870.0 0.271 0.204 0.630 0.000 -0.193 -0.000 3/30618 880.0 0.268 0.202 0.624 0.000 -0.191 -0.000 3/30618 890.0 0.265 0.200 0.617 0.000 -0.189 -0.000 3/30618 900.0 0.262 0.198 0.611 0.000 -0.187 -0.000 3/30618 910.0 0.260 0.196 0.604 0.000 -0.185 -0.000 3/30618 920.0 0.257 0.193 0.598 0.000 -0.183 -0.000 3/30618 930.0 0.254 0.191 0.592 0.000 -0.181 -0.000 3/30618 940.0 0.252 0.189 0.586 0.000 -0.179 -0.000 3/30618 950.0 0.249 0.187 0.580 0.000 -0.177 -0.000 3/30618 960.0 0.246 0.185 0.575 0.000 -0.176 -0.000 3/30618 970.0 0.244 0.184 0.569 0.000 -0.174 -0.000 3/30618 980.0 0.241 0.182 0.564 0.000 -0.172 -0.000 3/30618 990.0 0.239 0.180 0.558 0.000 -0.171 -0.000 3/30618 1000.0 0.237 0.178 0.553 0.000 -0.169 -0.000 3/30618 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:41:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|