----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:40:49]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.733526654935153 0.000000000000000 0.000000000000000 b 0.000000000000000 4.756426660000000 0.000000000000000 c -2.879381742395899 0.000000000000000 6.842438707338459 Atomic positions (fractional): *1 P 0.09514407832623 0.38122548150897 0.42112621727007 30.974 2 P 0.90485592167377 0.88122548150897 0.07887378272993 30.974 3 P 0.90485592167377 0.61877451849103 0.57887378272993 30.974 4 P 0.09514407832623 0.11877451849103 0.92112621727007 30.974 *5 P 0.25718195590830 0.77639333481456 0.80350135723095 30.974 6 P 0.74281804409170 0.27639333481456 0.69649864276905 30.974 7 P 0.74281804409170 0.22360666518544 0.19649864276905 30.974 8 P 0.25718195590830 0.72360666518544 0.30350135723095 30.974 *9 Cu 0.35500142346680 0.03415477214489 0.58243578322307 63.546 10 Cu 0.64499857653320 0.53415477214489 0.91756421677693 63.546 11 Cu 0.64499857653320 0.96584522785511 0.41756421677693 63.546 12 Cu 0.35500142346680 0.46584522785511 0.08243578322307 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.733526654935153 0.000000000000000 0.000000000000000 b 0.000000000000000 4.756426660000000 0.000000000000000 c -2.879381742395899 0.000000000000000 6.842438707338459 Atomic positions (fractional): *1 P 0.09514407832623 0.38122548150897 0.42112621727007 30.974 > 1 2 P 0.90485592167377 0.88122548150897 0.07887378272993 30.974 > 2 3 P 0.90485592167377 0.61877451849103 0.57887378272993 30.974 > 3 4 P 0.09514407832623 0.11877451849103 0.92112621727007 30.974 > 4 *5 P 0.25718195590830 0.77639333481456 0.80350135723095 30.974 > 5 6 P 0.74281804409170 0.27639333481456 0.69649864276905 30.974 > 6 7 P 0.74281804409170 0.22360666518544 0.19649864276905 30.974 > 7 8 P 0.25718195590830 0.72360666518544 0.30350135723095 30.974 > 8 *9 Cu 0.35500142346680 0.03415477214489 0.58243578322307 63.546 > 9 10 Cu 0.64499857653320 0.53415477214489 0.91756421677693 63.546 > 10 11 Cu 0.64499857653320 0.96584522785511 0.41756421677693 63.546 > 11 12 Cu 0.35500142346680 0.46584522785511 0.08243578322307 63.546 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.467053309870305 0.000000000000000 0.000000000000000 b 0.000000000000000 14.269279980000000 0.000000000000000 c -5.758763484791798 0.000000000000000 13.684877414676919 Atomic positions (fractional): *1 P 0.04757203916312 0.12707516050299 0.21056310863503 30.974 > 1 2 P 0.54757203916312 0.12707516050299 0.21056310863503 30.974 > 1 3 P 0.04757203916312 0.46040849383632 0.21056310863503 30.974 > 1 4 P 0.54757203916312 0.46040849383632 0.21056310863503 30.974 > 1 5 P 0.04757203916312 0.79374182716966 0.21056310863503 30.974 > 1 6 P 0.54757203916312 0.79374182716966 0.21056310863503 30.974 > 1 7 P 0.04757203916312 0.12707516050299 0.71056310863503 30.974 > 1 8 P 0.54757203916312 0.12707516050299 0.71056310863503 30.974 > 1 9 P 0.04757203916312 0.46040849383632 0.71056310863503 30.974 > 1 10 P 0.54757203916312 0.46040849383632 0.71056310863503 30.974 > 1 11 P 0.04757203916312 0.79374182716966 0.71056310863503 30.974 > 1 12 P 0.54757203916312 0.79374182716966 0.71056310863503 30.974 > 1 13 P 0.45242796083688 0.29374182716966 0.03943689136497 30.974 > 2 14 P 0.95242796083688 0.29374182716966 0.03943689136497 30.974 > 2 15 P 0.45242796083688 0.62707516050299 0.03943689136497 30.974 > 2 16 P 0.95242796083688 0.62707516050299 0.03943689136497 30.974 > 2 17 P 0.45242796083688 0.96040849383632 0.03943689136497 30.974 > 2 18 P 0.95242796083688 0.96040849383632 0.03943689136497 30.974 > 2 19 P 0.45242796083688 0.29374182716966 0.53943689136497 30.974 > 2 20 P 0.95242796083688 0.29374182716966 0.53943689136497 30.974 > 2 21 P 0.45242796083688 0.62707516050299 0.53943689136497 30.974 > 2 22 P 0.95242796083688 0.62707516050299 0.53943689136497 30.974 > 2 23 P 0.45242796083688 0.96040849383632 0.53943689136497 30.974 > 2 24 P 0.95242796083688 0.96040849383632 0.53943689136497 30.974 > 2 25 P 0.45242796083688 0.20625817283034 0.28943689136497 30.974 > 3 26 P 0.95242796083688 0.20625817283034 0.28943689136497 30.974 > 3 27 P 0.45242796083688 0.53959150616368 0.28943689136497 30.974 > 3 28 P 0.95242796083688 0.53959150616368 0.28943689136497 30.974 > 3 29 P 0.45242796083688 0.87292483949701 0.28943689136497 30.974 > 3 30 P 0.95242796083688 0.87292483949701 0.28943689136497 30.974 > 3 31 P 0.45242796083688 0.20625817283034 0.78943689136497 30.974 > 3 32 P 0.95242796083688 0.20625817283034 0.78943689136497 30.974 > 3 33 P 0.45242796083688 0.53959150616368 0.78943689136497 30.974 > 3 34 P 0.95242796083688 0.53959150616368 0.78943689136497 30.974 > 3 35 P 0.45242796083688 0.87292483949701 0.78943689136497 30.974 > 3 36 P 0.95242796083688 0.87292483949701 0.78943689136497 30.974 > 3 37 P 0.04757203916312 0.03959150616368 0.46056310863503 30.974 > 4 38 P 0.54757203916312 0.03959150616368 0.46056310863503 30.974 > 4 39 P 0.04757203916312 0.37292483949701 0.46056310863503 30.974 > 4 40 P 0.54757203916312 0.37292483949701 0.46056310863503 30.974 > 4 41 P 0.04757203916312 0.70625817283034 0.46056310863503 30.974 > 4 42 P 0.54757203916312 0.70625817283034 0.46056310863503 30.974 > 4 43 P 0.04757203916312 0.03959150616368 0.96056310863503 30.974 > 4 44 P 0.54757203916312 0.03959150616368 0.96056310863503 30.974 > 4 45 P 0.04757203916312 0.37292483949701 0.96056310863503 30.974 > 4 46 P 0.54757203916312 0.37292483949701 0.96056310863503 30.974 > 4 47 P 0.04757203916312 0.70625817283034 0.96056310863503 30.974 > 4 48 P 0.54757203916312 0.70625817283034 0.96056310863503 30.974 > 4 *49 P 0.12859097795415 0.25879777827152 0.40175067861547 30.974 > 5 50 P 0.62859097795415 0.25879777827152 0.40175067861547 30.974 > 5 51 P 0.12859097795415 0.59213111160485 0.40175067861547 30.974 > 5 52 P 0.62859097795415 0.59213111160485 0.40175067861547 30.974 > 5 53 P 0.12859097795415 0.92546444493819 0.40175067861547 30.974 > 5 54 P 0.62859097795415 0.92546444493819 0.40175067861547 30.974 > 5 55 P 0.12859097795415 0.25879777827152 0.90175067861547 30.974 > 5 56 P 0.62859097795415 0.25879777827152 0.90175067861547 30.974 > 5 57 P 0.12859097795415 0.59213111160485 0.90175067861547 30.974 > 5 58 P 0.62859097795415 0.59213111160485 0.90175067861547 30.974 > 5 59 P 0.12859097795415 0.92546444493819 0.90175067861547 30.974 > 5 60 P 0.62859097795415 0.92546444493819 0.90175067861547 30.974 > 5 61 P 0.37140902204585 0.09213111160485 0.34824932138453 30.974 > 6 62 P 0.87140902204585 0.09213111160485 0.34824932138453 30.974 > 6 63 P 0.37140902204585 0.42546444493819 0.34824932138453 30.974 > 6 64 P 0.87140902204585 0.42546444493819 0.34824932138453 30.974 > 6 65 P 0.37140902204585 0.75879777827152 0.34824932138453 30.974 > 6 66 P 0.87140902204585 0.75879777827152 0.34824932138453 30.974 > 6 67 P 0.37140902204585 0.09213111160485 0.84824932138453 30.974 > 6 68 P 0.87140902204585 0.09213111160485 0.84824932138453 30.974 > 6 69 P 0.37140902204585 0.42546444493819 0.84824932138453 30.974 > 6 70 P 0.87140902204585 0.42546444493819 0.84824932138453 30.974 > 6 71 P 0.37140902204585 0.75879777827152 0.84824932138453 30.974 > 6 72 P 0.87140902204585 0.75879777827152 0.84824932138453 30.974 > 6 73 P 0.37140902204585 0.07453555506181 0.09824932138453 30.974 > 7 74 P 0.87140902204585 0.07453555506181 0.09824932138453 30.974 > 7 75 P 0.37140902204585 0.40786888839515 0.09824932138453 30.974 > 7 76 P 0.87140902204585 0.40786888839515 0.09824932138453 30.974 > 7 77 P 0.37140902204585 0.74120222172848 0.09824932138453 30.974 > 7 78 P 0.87140902204585 0.74120222172848 0.09824932138453 30.974 > 7 79 P 0.37140902204585 0.07453555506181 0.59824932138453 30.974 > 7 80 P 0.87140902204585 0.07453555506181 0.59824932138453 30.974 > 7 81 P 0.37140902204585 0.40786888839515 0.59824932138453 30.974 > 7 82 P 0.87140902204585 0.40786888839515 0.59824932138453 30.974 > 7 83 P 0.37140902204585 0.74120222172848 0.59824932138453 30.974 > 7 84 P 0.87140902204585 0.74120222172848 0.59824932138453 30.974 > 7 85 P 0.12859097795415 0.24120222172848 0.15175067861547 30.974 > 8 86 P 0.62859097795415 0.24120222172848 0.15175067861547 30.974 > 8 87 P 0.12859097795415 0.57453555506181 0.15175067861547 30.974 > 8 88 P 0.62859097795415 0.57453555506181 0.15175067861547 30.974 > 8 89 P 0.12859097795415 0.90786888839515 0.15175067861547 30.974 > 8 90 P 0.62859097795415 0.90786888839515 0.15175067861547 30.974 > 8 91 P 0.12859097795415 0.24120222172848 0.65175067861547 30.974 > 8 92 P 0.62859097795415 0.24120222172848 0.65175067861547 30.974 > 8 93 P 0.12859097795415 0.57453555506181 0.65175067861547 30.974 > 8 94 P 0.62859097795415 0.57453555506181 0.65175067861547 30.974 > 8 95 P 0.12859097795415 0.90786888839515 0.65175067861547 30.974 > 8 96 P 0.62859097795415 0.90786888839515 0.65175067861547 30.974 > 8 *97 Cu 0.17750071173340 0.01138492404830 0.29121789161153 63.546 > 9 98 Cu 0.67750071173340 0.01138492404830 0.29121789161153 63.546 > 9 99 Cu 0.17750071173340 0.34471825738163 0.29121789161153 63.546 > 9 100 Cu 0.67750071173340 0.34471825738163 0.29121789161153 63.546 > 9 101 Cu 0.17750071173340 0.67805159071496 0.29121789161153 63.546 > 9 102 Cu 0.67750071173340 0.67805159071496 0.29121789161153 63.546 > 9 103 Cu 0.17750071173340 0.01138492404830 0.79121789161153 63.546 > 9 104 Cu 0.67750071173340 0.01138492404830 0.79121789161153 63.546 > 9 105 Cu 0.17750071173340 0.34471825738163 0.79121789161153 63.546 > 9 106 Cu 0.67750071173340 0.34471825738163 0.79121789161153 63.546 > 9 107 Cu 0.17750071173340 0.67805159071496 0.79121789161153 63.546 > 9 108 Cu 0.67750071173340 0.67805159071496 0.79121789161153 63.546 > 9 109 Cu 0.32249928826660 0.17805159071496 0.45878210838847 63.546 > 10 110 Cu 0.82249928826660 0.17805159071496 0.45878210838847 63.546 > 10 111 Cu 0.32249928826660 0.51138492404830 0.45878210838847 63.546 > 10 112 Cu 0.82249928826660 0.51138492404830 0.45878210838847 63.546 > 10 113 Cu 0.32249928826660 0.84471825738163 0.45878210838847 63.546 > 10 114 Cu 0.82249928826660 0.84471825738163 0.45878210838847 63.546 > 10 115 Cu 0.32249928826660 0.17805159071496 0.95878210838847 63.546 > 10 116 Cu 0.82249928826660 0.17805159071496 0.95878210838847 63.546 > 10 117 Cu 0.32249928826660 0.51138492404830 0.95878210838847 63.546 > 10 118 Cu 0.82249928826660 0.51138492404830 0.95878210838847 63.546 > 10 119 Cu 0.32249928826660 0.84471825738163 0.95878210838847 63.546 > 10 120 Cu 0.82249928826660 0.84471825738163 0.95878210838847 63.546 > 10 121 Cu 0.32249928826660 0.32194840928504 0.20878210838847 63.546 > 11 122 Cu 0.82249928826660 0.32194840928504 0.20878210838847 63.546 > 11 123 Cu 0.32249928826660 0.65528174261837 0.20878210838847 63.546 > 11 124 Cu 0.82249928826660 0.65528174261837 0.20878210838847 63.546 > 11 125 Cu 0.32249928826660 0.98861507595170 0.20878210838847 63.546 > 11 126 Cu 0.82249928826660 0.98861507595170 0.20878210838847 63.546 > 11 127 Cu 0.32249928826660 0.32194840928504 0.70878210838847 63.546 > 11 128 Cu 0.82249928826660 0.32194840928504 0.70878210838847 63.546 > 11 129 Cu 0.32249928826660 0.65528174261837 0.70878210838847 63.546 > 11 130 Cu 0.82249928826660 0.65528174261837 0.70878210838847 63.546 > 11 131 Cu 0.32249928826660 0.98861507595170 0.70878210838847 63.546 > 11 132 Cu 0.82249928826660 0.98861507595170 0.70878210838847 63.546 > 11 133 Cu 0.17750071173340 0.15528174261837 0.04121789161153 63.546 > 12 134 Cu 0.67750071173340 0.15528174261837 0.04121789161153 63.546 > 12 135 Cu 0.17750071173340 0.48861507595170 0.04121789161153 63.546 > 12 136 Cu 0.67750071173340 0.48861507595170 0.04121789161153 63.546 > 12 137 Cu 0.17750071173340 0.82194840928504 0.04121789161153 63.546 > 12 138 Cu 0.67750071173340 0.82194840928504 0.04121789161153 63.546 > 12 139 Cu 0.17750071173340 0.15528174261837 0.54121789161153 63.546 > 12 140 Cu 0.67750071173340 0.15528174261837 0.54121789161153 63.546 > 12 141 Cu 0.17750071173340 0.48861507595170 0.54121789161153 63.546 > 12 142 Cu 0.67750071173340 0.48861507595170 0.54121789161153 63.546 > 12 143 Cu 0.17750071173340 0.82194840928504 0.54121789161153 63.546 > 12 144 Cu 0.67750071173340 0.82194840928504 0.54121789161153 63.546 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.6989685 0.0000000 0.6343681 0.0000000 18.1339728 0.0000000 0.6343694 0.0000000 16.8772891 -------------------------- Born effective charges -------------------------- 1 P 0.2751751 0.4233751 -0.2100947 0.2861022 0.8423241 -0.3059029 -0.2961056 -0.1747350 0.3579582 2 P 0.2751751 -0.4233751 -0.2100947 -0.2861022 0.8423241 0.3059029 -0.2961056 0.1747350 0.3579582 3 P 0.2751751 0.4233751 -0.2100947 0.2861022 0.8423241 -0.3059029 -0.2961056 -0.1747350 0.3579582 4 P 0.2751751 -0.4233751 -0.2100947 -0.2861022 0.8423241 0.3059029 -0.2961056 0.1747350 0.3579582 5 P -0.1693120 -0.0921294 0.2067395 -0.2918512 -0.8520290 -0.1578741 0.4278477 -0.1083804 -0.3772674 6 P -0.1693120 0.0921294 0.2067395 0.2918512 -0.8520290 0.1578741 0.4278477 0.1083804 -0.3772674 7 P -0.1693120 -0.0921294 0.2067395 -0.2918512 -0.8520290 -0.1578741 0.4278477 -0.1083804 -0.3772674 8 P -0.1693120 0.0921294 0.2067395 0.2918512 -0.8520290 0.1578741 0.4278477 0.1083804 -0.3772674 9 Cu -0.1058631 0.0217562 0.0033552 0.3616061 0.0097049 0.2716985 -0.1317421 0.1993691 0.0193091 10 Cu -0.1058631 -0.0217562 0.0033552 -0.3616061 0.0097049 -0.2716985 -0.1317421 -0.1993691 0.0193091 11 Cu -0.1058631 0.0217562 0.0033552 0.3616061 0.0097049 0.2716985 -0.1317421 0.1993691 0.0193091 12 Cu -0.1058631 -0.0217562 0.0033552 -0.3616061 0.0097049 -0.2716985 -0.1317421 -0.1993691 0.0193091 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 4.656 Solver_block: 200 / 400 - Time: 4.660 Solver_block: 300 / 400 - Time: 4.808 Solver_block: 400 / 400 - Time: 4.795 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.057 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2034 Number of blocks in projector: 2034 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: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 246 Use standard eigh solver. Tree of FC basis block matrices: - (2034, 2008), data: False |-- (246, 243), data: True |-- (246, 243), data: True |-- (246, 243), data: True |-- (432, 427), data: True |-- (432, 426), data: True |-- (432, 426), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:41:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:41:34]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.733526654935153 0.000000000000000 0.000000000000000 b 0.000000000000000 4.756426660000000 0.000000000000000 c -2.879381742395899 0.000000000000000 6.842438707338459 Atomic positions (fractional): 1 P 0.09514407832623 0.38122548150897 0.42112621727007 30.974 2 P 0.90485592167377 0.88122548150897 0.07887378272993 30.974 3 P 0.90485592167377 0.61877451849103 0.57887378272993 30.974 4 P 0.09514407832623 0.11877451849103 0.92112621727007 30.974 5 P 0.25718195590830 0.77639333481456 0.80350135723095 30.974 6 P 0.74281804409170 0.27639333481456 0.69649864276905 30.974 7 P 0.74281804409170 0.22360666518544 0.19649864276905 30.974 8 P 0.25718195590830 0.72360666518544 0.30350135723095 30.974 9 Cu 0.35500142346680 0.03415477214489 0.58243578322307 63.546 10 Cu 0.64499857653320 0.53415477214489 0.91756421677693 63.546 11 Cu 0.64499857653320 0.96584522785511 0.41756421677693 63.546 12 Cu 0.35500142346680 0.46584522785511 0.08243578322307 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.467053309870305 0.000000000000000 0.000000000000000 b 0.000000000000000 14.269279980000000 0.000000000000000 c -5.758763484791798 0.000000000000000 13.684877414676919 Atomic positions (fractional): 1 P 0.04757203916312 0.12707516050299 0.21056310863503 30.974 > 1 2 P 0.54757203916312 0.12707516050299 0.21056310863503 30.974 > 1 3 P 0.04757203916312 0.46040849383632 0.21056310863503 30.974 > 1 4 P 0.54757203916312 0.46040849383632 0.21056310863503 30.974 > 1 5 P 0.04757203916312 0.79374182716966 0.21056310863503 30.974 > 1 6 P 0.54757203916312 0.79374182716966 0.21056310863503 30.974 > 1 7 P 0.04757203916312 0.12707516050299 0.71056310863503 30.974 > 1 8 P 0.54757203916312 0.12707516050299 0.71056310863503 30.974 > 1 9 P 0.04757203916312 0.46040849383632 0.71056310863503 30.974 > 1 10 P 0.54757203916312 0.46040849383632 0.71056310863503 30.974 > 1 11 P 0.04757203916312 0.79374182716966 0.71056310863503 30.974 > 1 12 P 0.54757203916312 0.79374182716966 0.71056310863503 30.974 > 1 13 P 0.45242796083688 0.29374182716966 0.03943689136497 30.974 > 13 14 P 0.95242796083688 0.29374182716966 0.03943689136497 30.974 > 13 15 P 0.45242796083688 0.62707516050299 0.03943689136497 30.974 > 13 16 P 0.95242796083688 0.62707516050299 0.03943689136497 30.974 > 13 17 P 0.45242796083688 0.96040849383632 0.03943689136497 30.974 > 13 18 P 0.95242796083688 0.96040849383632 0.03943689136497 30.974 > 13 19 P 0.45242796083688 0.29374182716966 0.53943689136497 30.974 > 13 20 P 0.95242796083688 0.29374182716966 0.53943689136497 30.974 > 13 21 P 0.45242796083688 0.62707516050299 0.53943689136497 30.974 > 13 22 P 0.95242796083688 0.62707516050299 0.53943689136497 30.974 > 13 23 P 0.45242796083688 0.96040849383632 0.53943689136497 30.974 > 13 24 P 0.95242796083688 0.96040849383632 0.53943689136497 30.974 > 13 25 P 0.45242796083688 0.20625817283034 0.28943689136497 30.974 > 25 26 P 0.95242796083688 0.20625817283034 0.28943689136497 30.974 > 25 27 P 0.45242796083688 0.53959150616368 0.28943689136497 30.974 > 25 28 P 0.95242796083688 0.53959150616368 0.28943689136497 30.974 > 25 29 P 0.45242796083688 0.87292483949701 0.28943689136497 30.974 > 25 30 P 0.95242796083688 0.87292483949701 0.28943689136497 30.974 > 25 31 P 0.45242796083688 0.20625817283034 0.78943689136497 30.974 > 25 32 P 0.95242796083688 0.20625817283034 0.78943689136497 30.974 > 25 33 P 0.45242796083688 0.53959150616368 0.78943689136497 30.974 > 25 34 P 0.95242796083688 0.53959150616368 0.78943689136497 30.974 > 25 35 P 0.45242796083688 0.87292483949701 0.78943689136497 30.974 > 25 36 P 0.95242796083688 0.87292483949701 0.78943689136497 30.974 > 25 37 P 0.04757203916312 0.03959150616368 0.46056310863503 30.974 > 37 38 P 0.54757203916312 0.03959150616368 0.46056310863503 30.974 > 37 39 P 0.04757203916312 0.37292483949701 0.46056310863503 30.974 > 37 40 P 0.54757203916312 0.37292483949701 0.46056310863503 30.974 > 37 41 P 0.04757203916312 0.70625817283034 0.46056310863503 30.974 > 37 42 P 0.54757203916312 0.70625817283034 0.46056310863503 30.974 > 37 43 P 0.04757203916312 0.03959150616368 0.96056310863503 30.974 > 37 44 P 0.54757203916312 0.03959150616368 0.96056310863503 30.974 > 37 45 P 0.04757203916312 0.37292483949701 0.96056310863503 30.974 > 37 46 P 0.54757203916312 0.37292483949701 0.96056310863503 30.974 > 37 47 P 0.04757203916312 0.70625817283034 0.96056310863503 30.974 > 37 48 P 0.54757203916312 0.70625817283034 0.96056310863503 30.974 > 37 49 P 0.12859097795415 0.25879777827152 0.40175067861547 30.974 > 49 50 P 0.62859097795415 0.25879777827152 0.40175067861547 30.974 > 49 51 P 0.12859097795415 0.59213111160485 0.40175067861547 30.974 > 49 52 P 0.62859097795415 0.59213111160485 0.40175067861547 30.974 > 49 53 P 0.12859097795415 0.92546444493819 0.40175067861547 30.974 > 49 54 P 0.62859097795415 0.92546444493819 0.40175067861547 30.974 > 49 55 P 0.12859097795415 0.25879777827152 0.90175067861547 30.974 > 49 56 P 0.62859097795415 0.25879777827152 0.90175067861547 30.974 > 49 57 P 0.12859097795415 0.59213111160485 0.90175067861547 30.974 > 49 58 P 0.62859097795415 0.59213111160485 0.90175067861547 30.974 > 49 59 P 0.12859097795415 0.92546444493819 0.90175067861547 30.974 > 49 60 P 0.62859097795415 0.92546444493819 0.90175067861547 30.974 > 49 61 P 0.37140902204585 0.09213111160485 0.34824932138453 30.974 > 61 62 P 0.87140902204585 0.09213111160485 0.34824932138453 30.974 > 61 63 P 0.37140902204585 0.42546444493819 0.34824932138453 30.974 > 61 64 P 0.87140902204585 0.42546444493819 0.34824932138453 30.974 > 61 65 P 0.37140902204585 0.75879777827152 0.34824932138453 30.974 > 61 66 P 0.87140902204585 0.75879777827152 0.34824932138453 30.974 > 61 67 P 0.37140902204585 0.09213111160485 0.84824932138453 30.974 > 61 68 P 0.87140902204585 0.09213111160485 0.84824932138453 30.974 > 61 69 P 0.37140902204585 0.42546444493819 0.84824932138453 30.974 > 61 70 P 0.87140902204585 0.42546444493819 0.84824932138453 30.974 > 61 71 P 0.37140902204585 0.75879777827152 0.84824932138453 30.974 > 61 72 P 0.87140902204585 0.75879777827152 0.84824932138453 30.974 > 61 73 P 0.37140902204585 0.07453555506181 0.09824932138453 30.974 > 73 74 P 0.87140902204585 0.07453555506181 0.09824932138453 30.974 > 73 75 P 0.37140902204585 0.40786888839515 0.09824932138453 30.974 > 73 76 P 0.87140902204585 0.40786888839515 0.09824932138453 30.974 > 73 77 P 0.37140902204585 0.74120222172848 0.09824932138453 30.974 > 73 78 P 0.87140902204585 0.74120222172848 0.09824932138453 30.974 > 73 79 P 0.37140902204585 0.07453555506181 0.59824932138453 30.974 > 73 80 P 0.87140902204585 0.07453555506181 0.59824932138453 30.974 > 73 81 P 0.37140902204585 0.40786888839515 0.59824932138453 30.974 > 73 82 P 0.87140902204585 0.40786888839515 0.59824932138453 30.974 > 73 83 P 0.37140902204585 0.74120222172848 0.59824932138453 30.974 > 73 84 P 0.87140902204585 0.74120222172848 0.59824932138453 30.974 > 73 85 P 0.12859097795415 0.24120222172848 0.15175067861547 30.974 > 85 86 P 0.62859097795415 0.24120222172848 0.15175067861547 30.974 > 85 87 P 0.12859097795415 0.57453555506181 0.15175067861547 30.974 > 85 88 P 0.62859097795415 0.57453555506181 0.15175067861547 30.974 > 85 89 P 0.12859097795415 0.90786888839515 0.15175067861547 30.974 > 85 90 P 0.62859097795415 0.90786888839515 0.15175067861547 30.974 > 85 91 P 0.12859097795415 0.24120222172848 0.65175067861547 30.974 > 85 92 P 0.62859097795415 0.24120222172848 0.65175067861547 30.974 > 85 93 P 0.12859097795415 0.57453555506181 0.65175067861547 30.974 > 85 94 P 0.62859097795415 0.57453555506181 0.65175067861547 30.974 > 85 95 P 0.12859097795415 0.90786888839515 0.65175067861547 30.974 > 85 96 P 0.62859097795415 0.90786888839515 0.65175067861547 30.974 > 85 97 Cu 0.17750071173340 0.01138492404830 0.29121789161153 63.546 > 97 98 Cu 0.67750071173340 0.01138492404830 0.29121789161153 63.546 > 97 99 Cu 0.17750071173340 0.34471825738163 0.29121789161153 63.546 > 97 100 Cu 0.67750071173340 0.34471825738163 0.29121789161153 63.546 > 97 101 Cu 0.17750071173340 0.67805159071496 0.29121789161153 63.546 > 97 102 Cu 0.67750071173340 0.67805159071496 0.29121789161153 63.546 > 97 103 Cu 0.17750071173340 0.01138492404830 0.79121789161153 63.546 > 97 104 Cu 0.67750071173340 0.01138492404830 0.79121789161153 63.546 > 97 105 Cu 0.17750071173340 0.34471825738163 0.79121789161153 63.546 > 97 106 Cu 0.67750071173340 0.34471825738163 0.79121789161153 63.546 > 97 107 Cu 0.17750071173340 0.67805159071496 0.79121789161153 63.546 > 97 108 Cu 0.67750071173340 0.67805159071496 0.79121789161153 63.546 > 97 109 Cu 0.32249928826660 0.17805159071496 0.45878210838847 63.546 > 109 110 Cu 0.82249928826660 0.17805159071496 0.45878210838847 63.546 > 109 111 Cu 0.32249928826660 0.51138492404830 0.45878210838847 63.546 > 109 112 Cu 0.82249928826660 0.51138492404830 0.45878210838847 63.546 > 109 113 Cu 0.32249928826660 0.84471825738163 0.45878210838847 63.546 > 109 114 Cu 0.82249928826660 0.84471825738163 0.45878210838847 63.546 > 109 115 Cu 0.32249928826660 0.17805159071496 0.95878210838847 63.546 > 109 116 Cu 0.82249928826660 0.17805159071496 0.95878210838847 63.546 > 109 117 Cu 0.32249928826660 0.51138492404830 0.95878210838847 63.546 > 109 118 Cu 0.82249928826660 0.51138492404830 0.95878210838847 63.546 > 109 119 Cu 0.32249928826660 0.84471825738163 0.95878210838847 63.546 > 109 120 Cu 0.82249928826660 0.84471825738163 0.95878210838847 63.546 > 109 121 Cu 0.32249928826660 0.32194840928504 0.20878210838847 63.546 > 121 122 Cu 0.82249928826660 0.32194840928504 0.20878210838847 63.546 > 121 123 Cu 0.32249928826660 0.65528174261837 0.20878210838847 63.546 > 121 124 Cu 0.82249928826660 0.65528174261837 0.20878210838847 63.546 > 121 125 Cu 0.32249928826660 0.98861507595170 0.20878210838847 63.546 > 121 126 Cu 0.82249928826660 0.98861507595170 0.20878210838847 63.546 > 121 127 Cu 0.32249928826660 0.32194840928504 0.70878210838847 63.546 > 121 128 Cu 0.82249928826660 0.32194840928504 0.70878210838847 63.546 > 121 129 Cu 0.32249928826660 0.65528174261837 0.70878210838847 63.546 > 121 130 Cu 0.82249928826660 0.65528174261837 0.70878210838847 63.546 > 121 131 Cu 0.32249928826660 0.98861507595170 0.70878210838847 63.546 > 121 132 Cu 0.82249928826660 0.98861507595170 0.70878210838847 63.546 > 121 133 Cu 0.17750071173340 0.15528174261837 0.04121789161153 63.546 > 133 134 Cu 0.67750071173340 0.15528174261837 0.04121789161153 63.546 > 133 135 Cu 0.17750071173340 0.48861507595170 0.04121789161153 63.546 > 133 136 Cu 0.67750071173340 0.48861507595170 0.04121789161153 63.546 > 133 137 Cu 0.17750071173340 0.82194840928504 0.04121789161153 63.546 > 133 138 Cu 0.67750071173340 0.82194840928504 0.04121789161153 63.546 > 133 139 Cu 0.17750071173340 0.15528174261837 0.54121789161153 63.546 > 133 140 Cu 0.67750071173340 0.15528174261837 0.54121789161153 63.546 > 133 141 Cu 0.17750071173340 0.48861507595170 0.54121789161153 63.546 > 133 142 Cu 0.67750071173340 0.48861507595170 0.54121789161153 63.546 > 133 143 Cu 0.17750071173340 0.82194840928504 0.54121789161153 63.546 > 133 144 Cu 0.67750071173340 0.82194840928504 0.54121789161153 63.546 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 16.6989685 0.0000000 0.6343681 0.0000000 18.1339728 0.0000000 0.6343694 0.0000000 16.8772891 -------------------------- Born effective charges -------------------------- 1 P 0.2751751 0.4233751 -0.2100947 0.2861022 0.8423241 -0.3059029 -0.2961056 -0.1747350 0.3579582 2 P 0.2751751 -0.4233751 -0.2100947 -0.2861022 0.8423241 0.3059029 -0.2961056 0.1747350 0.3579582 3 P 0.2751751 0.4233751 -0.2100947 0.2861022 0.8423241 -0.3059029 -0.2961056 -0.1747350 0.3579582 4 P 0.2751751 -0.4233751 -0.2100947 -0.2861022 0.8423241 0.3059029 -0.2961056 0.1747350 0.3579582 5 P -0.1693120 -0.0921294 0.2067395 -0.2918512 -0.8520290 -0.1578741 0.4278477 -0.1083804 -0.3772674 6 P -0.1693120 0.0921294 0.2067395 0.2918512 -0.8520290 0.1578741 0.4278477 0.1083804 -0.3772674 7 P -0.1693120 -0.0921294 0.2067395 -0.2918512 -0.8520290 -0.1578741 0.4278477 -0.1083804 -0.3772674 8 P -0.1693120 0.0921294 0.2067395 0.2918512 -0.8520290 0.1578741 0.4278477 0.1083804 -0.3772674 9 Cu -0.1058631 0.0217562 0.0033552 0.3616061 0.0097049 0.2716985 -0.1317421 0.1993691 0.0193091 10 Cu -0.1058631 -0.0217562 0.0033552 -0.3616061 0.0097049 -0.2716985 -0.1317421 -0.1993691 0.0193091 11 Cu -0.1058631 0.0217562 0.0033552 0.3616061 0.0097049 0.2716985 -0.1317421 0.1993691 0.0193091 12 Cu -0.1058631 -0.0217562 0.0033552 -0.3616061 0.0097049 -0.2716985 -0.1317421 -0.1993691 0.0193091 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:41:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:41:55]------------------------- 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.733526654935153 0.000000000000000 0.000000000000000 b 0.000000000000000 4.756426660000000 0.000000000000000 c -2.879381742395899 0.000000000000000 6.842438707338459 Atomic positions (fractional): 1 P 0.09514407832623 0.38122548150897 0.42112621727007 30.974 2 P 0.90485592167377 0.88122548150897 0.07887378272993 30.974 3 P 0.90485592167377 0.61877451849103 0.57887378272993 30.974 4 P 0.09514407832623 0.11877451849103 0.92112621727007 30.974 5 P 0.25718195590830 0.77639333481456 0.80350135723095 30.974 6 P 0.74281804409170 0.27639333481456 0.69649864276905 30.974 7 P 0.74281804409170 0.22360666518544 0.19649864276905 30.974 8 P 0.25718195590830 0.72360666518544 0.30350135723095 30.974 9 Cu 0.35500142346680 0.03415477214489 0.58243578322307 63.546 10 Cu 0.64499857653320 0.53415477214489 0.91756421677693 63.546 11 Cu 0.64499857653320 0.96584522785511 0.41756421677693 63.546 12 Cu 0.35500142346680 0.46584522785511 0.08243578322307 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.467053309870305 0.000000000000000 0.000000000000000 b 0.000000000000000 14.269279980000000 0.000000000000000 c -5.758763484791798 0.000000000000000 13.684877414676919 Atomic positions (fractional): 1 P 0.04757203916312 0.12707516050299 0.21056310863503 30.974 > 1 2 P 0.54757203916312 0.12707516050299 0.21056310863503 30.974 > 1 3 P 0.04757203916312 0.46040849383632 0.21056310863503 30.974 > 1 4 P 0.54757203916312 0.46040849383632 0.21056310863503 30.974 > 1 5 P 0.04757203916312 0.79374182716966 0.21056310863503 30.974 > 1 6 P 0.54757203916312 0.79374182716966 0.21056310863503 30.974 > 1 7 P 0.04757203916312 0.12707516050299 0.71056310863503 30.974 > 1 8 P 0.54757203916312 0.12707516050299 0.71056310863503 30.974 > 1 9 P 0.04757203916312 0.46040849383632 0.71056310863503 30.974 > 1 10 P 0.54757203916312 0.46040849383632 0.71056310863503 30.974 > 1 11 P 0.04757203916312 0.79374182716966 0.71056310863503 30.974 > 1 12 P 0.54757203916312 0.79374182716966 0.71056310863503 30.974 > 1 13 P 0.45242796083688 0.29374182716966 0.03943689136497 30.974 > 13 14 P 0.95242796083688 0.29374182716966 0.03943689136497 30.974 > 13 15 P 0.45242796083688 0.62707516050299 0.03943689136497 30.974 > 13 16 P 0.95242796083688 0.62707516050299 0.03943689136497 30.974 > 13 17 P 0.45242796083688 0.96040849383632 0.03943689136497 30.974 > 13 18 P 0.95242796083688 0.96040849383632 0.03943689136497 30.974 > 13 19 P 0.45242796083688 0.29374182716966 0.53943689136497 30.974 > 13 20 P 0.95242796083688 0.29374182716966 0.53943689136497 30.974 > 13 21 P 0.45242796083688 0.62707516050299 0.53943689136497 30.974 > 13 22 P 0.95242796083688 0.62707516050299 0.53943689136497 30.974 > 13 23 P 0.45242796083688 0.96040849383632 0.53943689136497 30.974 > 13 24 P 0.95242796083688 0.96040849383632 0.53943689136497 30.974 > 13 25 P 0.45242796083688 0.20625817283034 0.28943689136497 30.974 > 25 26 P 0.95242796083688 0.20625817283034 0.28943689136497 30.974 > 25 27 P 0.45242796083688 0.53959150616368 0.28943689136497 30.974 > 25 28 P 0.95242796083688 0.53959150616368 0.28943689136497 30.974 > 25 29 P 0.45242796083688 0.87292483949701 0.28943689136497 30.974 > 25 30 P 0.95242796083688 0.87292483949701 0.28943689136497 30.974 > 25 31 P 0.45242796083688 0.20625817283034 0.78943689136497 30.974 > 25 32 P 0.95242796083688 0.20625817283034 0.78943689136497 30.974 > 25 33 P 0.45242796083688 0.53959150616368 0.78943689136497 30.974 > 25 34 P 0.95242796083688 0.53959150616368 0.78943689136497 30.974 > 25 35 P 0.45242796083688 0.87292483949701 0.78943689136497 30.974 > 25 36 P 0.95242796083688 0.87292483949701 0.78943689136497 30.974 > 25 37 P 0.04757203916312 0.03959150616368 0.46056310863503 30.974 > 37 38 P 0.54757203916312 0.03959150616368 0.46056310863503 30.974 > 37 39 P 0.04757203916312 0.37292483949701 0.46056310863503 30.974 > 37 40 P 0.54757203916312 0.37292483949701 0.46056310863503 30.974 > 37 41 P 0.04757203916312 0.70625817283034 0.46056310863503 30.974 > 37 42 P 0.54757203916312 0.70625817283034 0.46056310863503 30.974 > 37 43 P 0.04757203916312 0.03959150616368 0.96056310863503 30.974 > 37 44 P 0.54757203916312 0.03959150616368 0.96056310863503 30.974 > 37 45 P 0.04757203916312 0.37292483949701 0.96056310863503 30.974 > 37 46 P 0.54757203916312 0.37292483949701 0.96056310863503 30.974 > 37 47 P 0.04757203916312 0.70625817283034 0.96056310863503 30.974 > 37 48 P 0.54757203916312 0.70625817283034 0.96056310863503 30.974 > 37 49 P 0.12859097795415 0.25879777827152 0.40175067861547 30.974 > 49 50 P 0.62859097795415 0.25879777827152 0.40175067861547 30.974 > 49 51 P 0.12859097795415 0.59213111160485 0.40175067861547 30.974 > 49 52 P 0.62859097795415 0.59213111160485 0.40175067861547 30.974 > 49 53 P 0.12859097795415 0.92546444493819 0.40175067861547 30.974 > 49 54 P 0.62859097795415 0.92546444493819 0.40175067861547 30.974 > 49 55 P 0.12859097795415 0.25879777827152 0.90175067861547 30.974 > 49 56 P 0.62859097795415 0.25879777827152 0.90175067861547 30.974 > 49 57 P 0.12859097795415 0.59213111160485 0.90175067861547 30.974 > 49 58 P 0.62859097795415 0.59213111160485 0.90175067861547 30.974 > 49 59 P 0.12859097795415 0.92546444493819 0.90175067861547 30.974 > 49 60 P 0.62859097795415 0.92546444493819 0.90175067861547 30.974 > 49 61 P 0.37140902204585 0.09213111160485 0.34824932138453 30.974 > 61 62 P 0.87140902204585 0.09213111160485 0.34824932138453 30.974 > 61 63 P 0.37140902204585 0.42546444493819 0.34824932138453 30.974 > 61 64 P 0.87140902204585 0.42546444493819 0.34824932138453 30.974 > 61 65 P 0.37140902204585 0.75879777827152 0.34824932138453 30.974 > 61 66 P 0.87140902204585 0.75879777827152 0.34824932138453 30.974 > 61 67 P 0.37140902204585 0.09213111160485 0.84824932138453 30.974 > 61 68 P 0.87140902204585 0.09213111160485 0.84824932138453 30.974 > 61 69 P 0.37140902204585 0.42546444493819 0.84824932138453 30.974 > 61 70 P 0.87140902204585 0.42546444493819 0.84824932138453 30.974 > 61 71 P 0.37140902204585 0.75879777827152 0.84824932138453 30.974 > 61 72 P 0.87140902204585 0.75879777827152 0.84824932138453 30.974 > 61 73 P 0.37140902204585 0.07453555506181 0.09824932138453 30.974 > 73 74 P 0.87140902204585 0.07453555506181 0.09824932138453 30.974 > 73 75 P 0.37140902204585 0.40786888839515 0.09824932138453 30.974 > 73 76 P 0.87140902204585 0.40786888839515 0.09824932138453 30.974 > 73 77 P 0.37140902204585 0.74120222172848 0.09824932138453 30.974 > 73 78 P 0.87140902204585 0.74120222172848 0.09824932138453 30.974 > 73 79 P 0.37140902204585 0.07453555506181 0.59824932138453 30.974 > 73 80 P 0.87140902204585 0.07453555506181 0.59824932138453 30.974 > 73 81 P 0.37140902204585 0.40786888839515 0.59824932138453 30.974 > 73 82 P 0.87140902204585 0.40786888839515 0.59824932138453 30.974 > 73 83 P 0.37140902204585 0.74120222172848 0.59824932138453 30.974 > 73 84 P 0.87140902204585 0.74120222172848 0.59824932138453 30.974 > 73 85 P 0.12859097795415 0.24120222172848 0.15175067861547 30.974 > 85 86 P 0.62859097795415 0.24120222172848 0.15175067861547 30.974 > 85 87 P 0.12859097795415 0.57453555506181 0.15175067861547 30.974 > 85 88 P 0.62859097795415 0.57453555506181 0.15175067861547 30.974 > 85 89 P 0.12859097795415 0.90786888839515 0.15175067861547 30.974 > 85 90 P 0.62859097795415 0.90786888839515 0.15175067861547 30.974 > 85 91 P 0.12859097795415 0.24120222172848 0.65175067861547 30.974 > 85 92 P 0.62859097795415 0.24120222172848 0.65175067861547 30.974 > 85 93 P 0.12859097795415 0.57453555506181 0.65175067861547 30.974 > 85 94 P 0.62859097795415 0.57453555506181 0.65175067861547 30.974 > 85 95 P 0.12859097795415 0.90786888839515 0.65175067861547 30.974 > 85 96 P 0.62859097795415 0.90786888839515 0.65175067861547 30.974 > 85 97 Cu 0.17750071173340 0.01138492404830 0.29121789161153 63.546 > 97 98 Cu 0.67750071173340 0.01138492404830 0.29121789161153 63.546 > 97 99 Cu 0.17750071173340 0.34471825738163 0.29121789161153 63.546 > 97 100 Cu 0.67750071173340 0.34471825738163 0.29121789161153 63.546 > 97 101 Cu 0.17750071173340 0.67805159071496 0.29121789161153 63.546 > 97 102 Cu 0.67750071173340 0.67805159071496 0.29121789161153 63.546 > 97 103 Cu 0.17750071173340 0.01138492404830 0.79121789161153 63.546 > 97 104 Cu 0.67750071173340 0.01138492404830 0.79121789161153 63.546 > 97 105 Cu 0.17750071173340 0.34471825738163 0.79121789161153 63.546 > 97 106 Cu 0.67750071173340 0.34471825738163 0.79121789161153 63.546 > 97 107 Cu 0.17750071173340 0.67805159071496 0.79121789161153 63.546 > 97 108 Cu 0.67750071173340 0.67805159071496 0.79121789161153 63.546 > 97 109 Cu 0.32249928826660 0.17805159071496 0.45878210838847 63.546 > 109 110 Cu 0.82249928826660 0.17805159071496 0.45878210838847 63.546 > 109 111 Cu 0.32249928826660 0.51138492404830 0.45878210838847 63.546 > 109 112 Cu 0.82249928826660 0.51138492404830 0.45878210838847 63.546 > 109 113 Cu 0.32249928826660 0.84471825738163 0.45878210838847 63.546 > 109 114 Cu 0.82249928826660 0.84471825738163 0.45878210838847 63.546 > 109 115 Cu 0.32249928826660 0.17805159071496 0.95878210838847 63.546 > 109 116 Cu 0.82249928826660 0.17805159071496 0.95878210838847 63.546 > 109 117 Cu 0.32249928826660 0.51138492404830 0.95878210838847 63.546 > 109 118 Cu 0.82249928826660 0.51138492404830 0.95878210838847 63.546 > 109 119 Cu 0.32249928826660 0.84471825738163 0.95878210838847 63.546 > 109 120 Cu 0.82249928826660 0.84471825738163 0.95878210838847 63.546 > 109 121 Cu 0.32249928826660 0.32194840928504 0.20878210838847 63.546 > 121 122 Cu 0.82249928826660 0.32194840928504 0.20878210838847 63.546 > 121 123 Cu 0.32249928826660 0.65528174261837 0.20878210838847 63.546 > 121 124 Cu 0.82249928826660 0.65528174261837 0.20878210838847 63.546 > 121 125 Cu 0.32249928826660 0.98861507595170 0.20878210838847 63.546 > 121 126 Cu 0.82249928826660 0.98861507595170 0.20878210838847 63.546 > 121 127 Cu 0.32249928826660 0.32194840928504 0.70878210838847 63.546 > 121 128 Cu 0.82249928826660 0.32194840928504 0.70878210838847 63.546 > 121 129 Cu 0.32249928826660 0.65528174261837 0.70878210838847 63.546 > 121 130 Cu 0.82249928826660 0.65528174261837 0.70878210838847 63.546 > 121 131 Cu 0.32249928826660 0.98861507595170 0.70878210838847 63.546 > 121 132 Cu 0.82249928826660 0.98861507595170 0.70878210838847 63.546 > 121 133 Cu 0.17750071173340 0.15528174261837 0.04121789161153 63.546 > 133 134 Cu 0.67750071173340 0.15528174261837 0.04121789161153 63.546 > 133 135 Cu 0.17750071173340 0.48861507595170 0.04121789161153 63.546 > 133 136 Cu 0.67750071173340 0.48861507595170 0.04121789161153 63.546 > 133 137 Cu 0.17750071173340 0.82194840928504 0.04121789161153 63.546 > 133 138 Cu 0.67750071173340 0.82194840928504 0.04121789161153 63.546 > 133 139 Cu 0.17750071173340 0.15528174261837 0.54121789161153 63.546 > 133 140 Cu 0.67750071173340 0.15528174261837 0.54121789161153 63.546 > 133 141 Cu 0.17750071173340 0.48861507595170 0.54121789161153 63.546 > 133 142 Cu 0.67750071173340 0.48861507595170 0.54121789161153 63.546 > 133 143 Cu 0.17750071173340 0.82194840928504 0.54121789161153 63.546 > 133 144 Cu 0.67750071173340 0.82194840928504 0.54121789161153 63.546 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 16.6989685 0.0000000 0.6343681 0.0000000 18.1339728 0.0000000 0.6343694 0.0000000 16.8772891 -------------------------- Born effective charges -------------------------- 1 P 0.2751751 0.4233751 -0.2100947 0.2861022 0.8423241 -0.3059029 -0.2961056 -0.1747350 0.3579582 2 P 0.2751751 -0.4233751 -0.2100947 -0.2861022 0.8423241 0.3059029 -0.2961056 0.1747350 0.3579582 3 P 0.2751751 0.4233751 -0.2100947 0.2861022 0.8423241 -0.3059029 -0.2961056 -0.1747350 0.3579582 4 P 0.2751751 -0.4233751 -0.2100947 -0.2861022 0.8423241 0.3059029 -0.2961056 0.1747350 0.3579582 5 P -0.1693120 -0.0921294 0.2067395 -0.2918512 -0.8520290 -0.1578741 0.4278477 -0.1083804 -0.3772674 6 P -0.1693120 0.0921294 0.2067395 0.2918512 -0.8520290 0.1578741 0.4278477 0.1083804 -0.3772674 7 P -0.1693120 -0.0921294 0.2067395 -0.2918512 -0.8520290 -0.1578741 0.4278477 -0.1083804 -0.3772674 8 P -0.1693120 0.0921294 0.2067395 0.2918512 -0.8520290 0.1578741 0.4278477 0.1083804 -0.3772674 9 Cu -0.1058631 0.0217562 0.0033552 0.3616061 0.0097049 0.2716985 -0.1317421 0.1993691 0.0193091 10 Cu -0.1058631 -0.0217562 0.0033552 -0.3616061 0.0097049 -0.2716985 -0.1317421 -0.1993691 0.0193091 11 Cu -0.1058631 0.0217562 0.0033552 0.3616061 0.0097049 0.2716985 -0.1317421 0.1993691 0.0193091 12 Cu -0.1058631 -0.0217562 0.0033552 -0.3616061 0.0097049 -0.2716985 -0.1317421 -0.1993691 0.0193091 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 11 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 307, Lambda: 0.31 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/192) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 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 2.784 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.713 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 7.245 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.312 ( 0.000 0.000 0.000) 0.000 9.535 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 12.918 ( 0.000 0.000 0.000) 0.000 13.347 ( 0.000 0.000 0.000) 0.000 13.482 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 14.091 ( 0.000 0.000 0.000) 0.000 14.163 ( 0.000 0.000 0.000) 0.000 14.671 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/192) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 28.844 0.000 9.023) 30.222 0.666 ( 35.185 0.000 -3.349) 35.344 1.347 ( 55.490 0.000 25.920) 61.245 2.820 ( 2.185 0.000 0.542) 2.251 2.981 ( 2.419 0.000 0.231) 2.430 3.217 ( 1.612 0.000 1.349) 2.102 3.231 ( -0.539 0.000 -2.494) 2.551 3.556 ( -2.269 0.000 -4.747) 5.261 3.828 ( -2.317 0.000 -0.284) 2.334 3.953 ( 0.924 0.000 -0.145) 0.936 4.675 ( -2.268 0.000 -3.334) 4.033 4.977 ( -8.833 0.000 5.697) 10.511 5.197 ( 4.607 0.000 -3.915) 6.046 5.462 ( 6.576 0.000 5.340) 8.471 5.585 ( 1.035 0.000 2.028) 2.277 6.183 ( -0.422 0.000 0.813) 0.916 6.692 ( 1.036 0.000 -1.902) 2.166 7.159 ( -6.801 0.000 -4.117) 7.950 8.216 ( -0.323 0.000 1.129) 1.174 8.604 ( -3.330 0.000 -2.253) 4.020 8.829 ( 2.390 0.000 1.448) 2.794 8.881 ( -0.890 0.000 0.362) 0.961 9.072 ( -1.528 0.000 -1.725) 2.304 9.187 ( -2.112 0.000 0.002) 2.112 9.349 ( 2.965 0.000 0.676) 3.041 9.518 ( -0.989 0.000 -1.552) 1.840 12.525 ( 1.561 0.000 3.067) 3.441 12.596 ( -4.636 0.000 -0.013) 4.636 12.789 ( 2.429 0.000 -0.445) 2.469 12.900 ( -1.356 0.000 -0.706) 1.529 13.369 ( 1.609 0.000 1.255) 2.041 13.474 ( -0.136 0.000 -1.762) 1.767 13.908 ( -2.892 0.000 -0.012) 2.892 14.081 ( -0.848 0.000 -0.434) 0.953 14.159 ( 0.145 0.000 -1.245) 1.253 14.688 ( 1.321 0.000 0.916) 1.607 ======================= Grid point 2 (3/192) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 24.307 0.000 6.868) 25.259 1.297 ( 32.521 0.000 -3.510) 32.710 2.475 ( 36.368 0.000 16.410) 39.899 2.924 ( 11.819 0.000 3.228) 12.252 3.036 ( 1.402 0.000 -1.211) 1.853 3.137 ( -4.775 0.000 -6.031) 7.693 3.264 ( 1.819 0.000 1.631) 2.443 3.480 ( -0.312 0.000 -5.404) 5.413 3.761 ( -3.847 0.000 -0.769) 3.923 3.973 ( 1.144 0.000 -0.161) 1.156 4.585 ( -2.899 0.000 -5.412) 6.139 4.843 ( -10.692 0.000 8.495) 13.655 5.278 ( 7.154 0.000 -3.978) 8.186 5.638 ( 1.966 0.000 3.964) 4.425 5.646 ( 6.348 0.000 6.835) 9.328 6.186 ( -0.422 0.000 2.174) 2.215 6.692 ( 0.586 0.000 -3.824) 3.868 6.947 ( -9.442 0.000 -5.573) 10.964 8.227 ( -0.004 0.000 2.222) 2.222 8.515 ( -3.523 0.000 -1.509) 3.833 8.844 ( -3.242 0.000 -0.257) 3.252 8.898 ( 3.028 0.000 1.249) 3.276 9.035 ( -0.344 0.000 -1.475) 1.515 9.138 ( -2.607 0.000 -0.116) 2.609 9.420 ( 3.253 0.000 1.055) 3.420 9.474 ( -1.717 0.000 -2.547) 3.072 12.488 ( -6.022 0.000 -0.520) 6.044 12.594 ( 1.989 0.000 4.534) 4.951 12.829 ( 1.567 0.000 0.228) 1.584 12.861 ( -1.709 0.000 -1.276) 2.133 13.422 ( 2.304 0.000 2.103) 3.119 13.449 ( -0.483 0.000 -2.679) 2.723 13.837 ( -4.079 0.000 -0.170) 4.082 14.053 ( -1.373 0.000 -0.851) 1.615 14.151 ( 0.247 0.000 -1.637) 1.655 14.731 ( 1.977 0.000 1.396) 2.420 ======================= Grid point 3 (4/192) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 18.461 0.000 4.414) 18.981 1.856 ( 27.796 0.000 -3.669) 28.037 2.759 ( -2.151 0.000 3.339) 3.972 2.814 ( -13.307 0.000 -10.471) 16.933 3.156 ( 4.180 0.000 0.700) 4.239 3.296 ( 1.862 0.000 1.032) 2.129 3.440 ( -0.452 0.000 -4.813) 4.834 3.536 ( 30.808 0.000 6.134) 31.413 3.686 ( -2.732 0.000 -0.548) 2.786 3.994 ( 0.938 0.000 1.293) 1.598 4.491 ( -2.107 0.000 -4.883) 5.318 4.702 ( -11.389 0.000 9.042) 14.542 5.404 ( 8.720 0.000 -3.811) 9.517 5.726 ( 3.165 0.000 5.050) 5.960 5.794 ( 3.243 0.000 5.791) 6.637 6.201 ( -0.452 0.000 3.206) 3.238 6.576 ( -8.090 0.000 -6.826) 10.585 6.813 ( -0.322 0.000 -2.100) 2.125 8.248 ( 0.154 0.000 2.221) 2.227 8.460 ( -1.355 0.000 -0.129) 1.361 8.764 ( -3.830 0.000 -0.967) 3.950 8.933 ( -0.259 0.000 -1.091) 1.121 9.039 ( 1.075 0.000 -0.015) 1.075 9.113 ( 0.195 0.000 1.435) 1.448 9.416 ( -1.918 0.000 -2.589) 3.222 9.483 ( 2.264 0.000 0.918) 2.443 12.368 ( -5.365 0.000 -0.917) 5.443 12.665 ( 1.354 0.000 4.271) 4.480 12.818 ( -1.354 0.000 -1.840) 2.285 12.851 ( 0.520 0.000 0.204) 0.558 13.416 ( -0.696 0.000 -2.268) 2.373 13.487 ( 2.287 0.000 2.301) 3.244 13.761 ( -3.240 0.000 -0.240) 3.249 14.017 ( -1.447 0.000 -1.072) 1.801 14.144 ( 0.316 0.000 -1.246) 1.285 14.780 ( 1.688 0.000 1.211) 2.078 ======================= Grid point 4 (5/192) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 11.987 0.000 3.199) 12.407 2.293 ( 18.881 0.000 -3.220) 19.153 2.476 ( -11.768 0.000 -6.843) 13.613 2.653 ( -10.114 0.000 2.916) 10.526 3.239 ( 3.043 0.000 1.022) 3.210 3.323 ( 0.619 0.000 0.359) 0.715 3.376 ( -2.170 0.000 -2.727) 3.485 3.655 ( -0.425 0.000 -0.188) 0.464 3.921 ( 5.307 0.000 -2.695) 5.952 4.121 ( 10.635 0.000 3.290) 11.132 4.434 ( -0.729 0.000 -1.913) 2.047 4.553 ( -9.055 0.000 5.140) 10.413 5.522 ( 4.759 0.000 -2.034) 5.176 5.824 ( 2.476 0.000 3.094) 3.963 5.864 ( 0.548 0.000 2.678) 2.734 6.213 ( -0.418 0.000 1.656) 1.708 6.383 ( -5.075 0.000 -3.701) 6.281 6.817 ( 0.777 0.000 -0.686) 1.036 8.264 ( 0.070 0.000 0.929) 0.932 8.454 ( 0.117 0.000 0.364) 0.382 8.702 ( -1.586 0.000 -0.471) 1.655 8.895 ( -1.313 0.000 -1.100) 1.713 9.061 ( 0.718 0.000 0.322) 0.787 9.145 ( 1.005 0.000 0.995) 1.414 9.369 ( -0.971 0.000 -1.216) 1.556 9.518 ( 0.782 0.000 0.349) 0.857 12.284 ( -2.214 0.000 -0.485) 2.267 12.712 ( 0.539 0.000 2.486) 2.544 12.782 ( -0.631 0.000 -1.646) 1.763 12.856 ( 0.018 0.000 0.031) 0.036 13.392 ( -0.341 0.000 -0.857) 0.922 13.537 ( 1.085 0.000 1.113) 1.555 13.716 ( -1.178 0.000 -0.107) 1.182 13.987 ( -0.712 0.000 -0.576) 0.916 14.142 ( 0.156 0.000 -0.454) 0.480 14.810 ( 0.654 0.000 0.473) 0.807 ======================= Grid point 9 (6/192) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 30.828 0.000) 30.828 0.801 ( 0.000 40.319 0.000) 40.319 1.135 ( 0.000 57.467 0.000) 57.467 2.826 ( 0.000 4.003 0.000) 4.003 2.971 ( 0.000 1.825 0.000) 1.825 3.176 ( 0.000 -3.076 0.000) 3.076 3.228 ( 0.000 -0.078 0.000) 0.078 3.602 ( 0.000 -1.284 0.000) 1.284 3.825 ( 0.000 -2.547 0.000) 2.547 3.936 ( 0.000 -0.789 0.000) 0.789 4.660 ( 0.000 -5.229 0.000) 5.229 5.049 ( 0.000 -1.185 0.000) 1.185 5.137 ( 0.000 -2.614 0.000) 2.614 5.381 ( 0.000 2.130 0.000) 2.130 5.574 ( 0.000 0.802 0.000) 0.802 6.197 ( 0.000 1.517 0.000) 1.517 6.704 ( 0.000 1.245 0.000) 1.245 7.207 ( 0.000 -3.761 0.000) 3.761 8.192 ( 0.000 -2.240 0.000) 2.240 8.717 ( 0.000 6.899 0.000) 6.899 8.791 ( 0.000 -0.817 0.000) 0.817 8.888 ( 0.000 -1.180 0.000) 1.180 9.035 ( 0.000 -6.064 0.000) 6.064 9.282 ( 0.000 -3.041 0.000) 3.041 9.286 ( 0.000 4.238 0.000) 4.238 9.522 ( 0.000 -1.302 0.000) 1.302 12.503 ( 0.000 -0.915 0.000) 0.915 12.675 ( 0.000 2.295 0.000) 2.295 12.780 ( 0.000 2.212 0.000) 2.212 12.901 ( 0.000 -1.700 0.000) 1.700 13.395 ( 0.000 -0.848 0.000) 0.848 13.495 ( 0.000 1.257 0.000) 1.257 13.903 ( 0.000 -3.297 0.000) 3.297 14.084 ( 0.000 -0.942 0.000) 0.942 14.185 ( 0.000 2.178 0.000) 2.178 14.685 ( 0.000 1.337 0.000) 1.337 ======================= Grid point 10 (7/192) ======================= q-point: ( 0.11 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 13.238 26.383 14.776) 33.010 1.042 ( 26.650 25.322 -0.907) 36.773 1.671 ( 40.601 32.124 11.956) 53.135 2.844 ( 2.129 2.703 -0.637) 3.500 2.999 ( 2.465 1.936 0.847) 3.247 3.188 ( 1.017 -2.941 -1.013) 3.272 3.244 ( 1.283 1.637 0.890) 2.263 3.549 ( -2.976 -1.050 -4.348) 5.372 3.801 ( -2.393 -2.584 -0.131) 3.524 3.943 ( 0.612 -0.983 0.223) 1.179 4.632 ( -1.729 -4.339 -2.350) 5.229 4.969 ( -8.997 -0.964 5.637) 10.661 5.154 ( 3.611 -3.920 -5.006) 7.312 5.468 ( 5.299 0.588 5.498) 7.659 5.605 ( 2.356 1.777 1.592) 3.353 6.195 ( -0.522 1.282 0.893) 1.648 6.709 ( 1.353 1.629 -1.864) 2.821 7.120 ( -6.902 -3.837 -4.033) 8.867 8.197 ( 0.117 -1.711 1.319) 2.164 8.660 ( -4.158 5.044 -1.780) 6.775 8.825 ( 2.318 -0.308 0.829) 2.481 8.880 ( -0.727 -0.787 -0.205) 1.091 9.016 ( -0.419 -3.300 -1.034) 3.484 9.241 ( -2.799 2.624 -0.061) 3.837 9.322 ( 2.347 -2.026 0.266) 3.112 9.510 ( -0.610 -0.947 -1.281) 1.706 12.514 ( 0.058 -0.912 2.049) 2.244 12.637 ( -2.908 3.339 0.379) 4.444 12.805 ( 1.748 1.550 -0.084) 2.338 12.891 ( -0.755 -0.989 -0.427) 1.315 13.386 ( 0.409 0.690 0.668) 1.044 13.485 ( -0.324 1.120 -1.628) 2.002 13.882 ( -2.211 -2.519 0.232) 3.360 14.070 ( -1.071 -1.191 -0.550) 1.694 14.180 ( 0.070 2.120 -1.233) 2.454 14.702 ( 1.309 1.275 0.811) 1.999 ======================= Grid point 11 (8/192) ======================= q-point: ( 0.22 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 20.272 15.054 9.413) 26.948 1.546 ( 27.144 20.275 -5.624) 34.344 2.513 ( 26.870 4.437 11.242) 29.463 2.928 ( 8.234 1.037 1.100) 8.371 3.062 ( 1.064 1.704 -3.141) 3.729 3.167 ( 1.517 2.892 -0.844) 3.373 3.292 ( 3.043 3.783 1.528) 5.090 3.459 ( -1.004 -2.252 -4.681) 5.291 3.736 ( -3.812 -2.414 -0.173) 4.515 3.959 ( 0.687 -1.376 0.365) 1.581 4.567 ( -2.006 -1.930 -4.038) 4.905 4.826 ( -11.109 -1.770 8.047) 13.831 5.205 ( 6.039 -6.388 -4.629) 9.936 5.624 ( 4.455 -1.930 7.117) 8.616 5.682 ( 3.476 3.186 2.978) 5.577 6.194 ( -0.695 0.872 1.982) 2.274 6.719 ( 1.078 2.646 -3.532) 4.543 6.910 ( -9.041 -3.512 -5.234) 11.021 8.222 ( 0.712 -0.286 2.648) 2.757 8.558 ( -4.346 3.505 -1.467) 5.772 8.827 ( -2.174 -1.165 -1.763) 3.032 8.907 ( 3.060 0.563 1.306) 3.374 9.012 ( 0.556 -0.856 -0.190) 1.038 9.178 ( -3.326 2.814 -0.254) 4.364 9.369 ( 1.840 -4.100 -0.268) 4.501 9.487 ( -0.301 0.256 -1.222) 1.284 12.488 ( -4.120 0.150 0.095) 4.124 12.629 ( 0.927 3.261 3.313) 4.741 12.820 ( -0.449 -0.685 -0.461) 0.940 12.880 ( 0.379 1.641 -0.326) 1.716 13.423 ( 1.750 0.185 1.548) 2.344 13.460 ( -0.324 0.951 -2.008) 2.245 13.825 ( -3.564 -1.142 0.025) 3.743 14.040 ( -1.364 -1.431 -0.885) 2.166 14.169 ( 0.114 1.919 -1.687) 2.558 14.744 ( 2.009 1.197 1.268) 2.661 ======================= Grid point 12 (9/192) ======================= q-point: ( 0.33 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 17.314 11.059 5.891) 21.372 1.997 ( 24.715 13.426 -6.684) 28.909 2.743 ( -2.108 -1.337 3.415) 4.230 2.843 ( -11.509 2.963 -10.009) 15.537 3.100 ( 5.271 -4.465 1.887) 7.161 3.296 ( 2.253 -0.124 0.927) 2.439 3.399 ( 1.407 -2.743 -5.566) 6.363 3.551 ( 9.704 -1.315 2.991) 10.239 3.719 ( 8.288 3.739 1.176) 9.168 3.976 ( 0.769 -1.813 1.548) 2.505 4.501 ( -1.302 1.223 -3.314) 3.765 4.679 ( -10.890 -2.280 8.668) 14.104 5.318 ( 8.837 -7.519 -3.654) 12.165 5.740 ( 2.107 -4.356 5.545) 7.359 5.768 ( 1.711 1.918 3.973) 4.733 6.201 ( -0.632 0.084 2.632) 2.708 6.598 ( -7.868 1.937 -6.000) 10.083 6.818 ( 1.567 0.873 -1.596) 2.401 8.262 ( 0.904 1.615 2.803) 3.359 8.484 ( -2.300 1.774 -0.488) 2.946 8.762 ( -2.349 0.458 -1.838) 3.017 8.952 ( 0.186 1.752 -0.626) 1.870 9.035 ( 1.515 0.048 0.938) 1.783 9.132 ( -0.914 1.574 0.938) 2.048 9.369 ( -0.593 -3.963 -2.149) 4.546 9.495 ( 1.143 0.306 0.441) 1.263 12.395 ( -4.358 2.687 -0.835) 5.188 12.685 ( 1.169 2.157 3.871) 4.583 12.792 ( -1.043 -1.488 -1.574) 2.404 12.890 ( 0.367 2.821 0.050) 2.845 13.418 ( -0.755 0.255 -1.998) 2.151 13.494 ( 2.278 0.693 2.201) 3.243 13.756 ( -3.099 -0.479 -0.274) 3.148 14.006 ( -1.281 -1.164 -0.961) 1.980 14.159 ( 0.170 1.591 -1.338) 2.086 14.793 ( 1.761 1.227 1.125) 2.423 ======================= Grid point 13 (10/192) ======================= q-point: ( 0.44 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 12.123 10.469 3.484) 16.393 2.384 ( 19.320 8.126 -5.056) 21.561 2.507 ( -12.308 3.102 -5.930) 14.010 2.660 ( -10.781 1.731 3.083) 11.346 3.203 ( 4.154 -3.987 2.030) 6.105 3.292 ( -2.407 -2.695 -2.246) 4.254 3.368 ( -0.019 -0.759 -1.115) 1.349 3.594 ( 0.009 -5.449 0.258) 5.455 3.899 ( 2.836 -2.384 -1.665) 4.062 4.083 ( 7.147 -4.089 1.088) 8.306 4.479 ( 1.183 4.119 -0.737) 4.349 4.552 ( -7.631 -0.070 4.930) 9.085 5.455 ( 6.148 -6.102 -2.087) 8.910 5.764 ( -2.246 -8.328 2.974) 9.124 5.831 ( 1.694 -0.957 1.867) 2.696 6.208 ( -0.369 -0.523 1.340) 1.485 6.440 ( -3.569 5.398 -2.703) 7.013 6.844 ( 1.219 2.635 -0.507) 2.947 8.293 ( 0.414 3.129 1.282) 3.407 8.457 ( -0.512 0.010 -0.020) 0.512 8.721 ( -0.674 2.294 -0.659) 2.480 8.920 ( -1.385 2.441 -0.861) 2.936 9.068 ( 0.845 0.787 0.537) 1.273 9.150 ( 0.768 0.349 0.938) 1.261 9.337 ( -0.672 -3.068 -1.252) 3.381 9.517 ( 0.575 -0.337 0.326) 0.742 12.326 ( -1.815 4.178 -0.455) 4.577 12.728 ( 0.265 1.630 2.884) 3.323 12.763 ( -0.261 -1.245 -2.100) 2.455 12.892 ( -0.048 3.031 0.017) 3.031 13.394 ( -0.370 0.210 -0.803) 0.908 13.545 ( 1.137 0.824 1.145) 1.812 13.711 ( -1.203 -0.505 -0.204) 1.320 13.980 ( -0.621 -0.782 -0.497) 1.115 14.155 ( 0.092 1.327 -0.496) 1.419 14.824 ( 0.691 1.302 0.444) 1.540 ======================= Grid point 18 (11/192) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 28.649 0.000) 28.649 1.514 ( 0.000 33.776 0.000) 33.776 2.138 ( 0.000 44.804 0.000) 44.804 2.905 ( 0.000 3.200 0.000) 3.200 3.053 ( 0.000 7.507 0.000) 7.507 3.087 ( 0.000 -4.703 0.000) 4.703 3.266 ( 0.000 4.360 0.000) 4.360 3.562 ( 0.000 -2.539 0.000) 2.539 3.770 ( 0.000 -2.797 0.000) 2.797 3.915 ( 0.000 -1.529 0.000) 1.529 4.534 ( 0.000 -7.278 0.000) 7.278 5.005 ( 0.000 -3.504 0.000) 3.504 5.079 ( 0.000 -2.881 0.000) 2.881 5.430 ( 0.000 2.907 0.000) 2.907 5.593 ( 0.000 1.041 0.000) 1.041 6.225 ( 0.000 0.978 0.000) 0.978 6.733 ( 0.000 1.597 0.000) 1.597 7.112 ( 0.000 -5.968 0.000) 5.968 8.151 ( 0.000 -1.427 0.000) 1.427 8.731 ( 0.000 -6.573 0.000) 6.573 8.839 ( 0.000 -2.282 0.000) 2.282 8.881 ( 0.000 9.386 0.000) 9.386 8.981 ( 0.000 0.153 0.000) 0.153 9.203 ( 0.000 -4.941 0.000) 4.941 9.351 ( 0.000 2.572 0.000) 2.572 9.484 ( 0.000 -2.645 0.000) 2.645 12.492 ( 0.000 -0.072 0.000) 0.072 12.723 ( 0.000 2.472 0.000) 2.472 12.832 ( 0.000 2.836 0.000) 2.836 12.856 ( 0.000 -2.886 0.000) 2.886 13.384 ( 0.000 -0.018 0.000) 0.018 13.529 ( 0.000 2.289 0.000) 2.289 13.827 ( 0.000 -4.328 0.000) 4.328 14.050 ( 0.000 -2.617 0.000) 2.617 14.241 ( 0.000 3.577 0.000) 3.577 14.711 ( 0.000 0.980 0.000) 0.980 ======================= Grid point 19 (12/192) ======================= q-point: ( 0.11 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 13.214 21.694 11.455) 27.865 1.578 ( 8.580 28.580 3.750) 30.074 2.368 ( 19.228 34.500 -1.113) 39.512 2.904 ( 2.821 2.301 -4.365) 5.684 3.064 ( 1.020 4.871 2.344) 5.501 3.130 ( 3.158 -1.370 0.214) 3.449 3.309 ( 3.237 5.868 2.492) 7.150 3.515 ( -3.612 -1.957 -2.962) 5.064 3.744 ( -2.624 -2.860 0.316) 3.894 3.917 ( -0.024 -1.816 0.668) 1.935 4.525 ( -0.672 -6.241 -0.210) 6.281 4.934 ( -8.708 -2.658 5.201) 10.485 5.074 ( 2.515 -3.843 -7.056) 8.419 5.479 ( 1.844 0.400 6.193) 6.474 5.639 ( 3.815 1.516 0.845) 4.191 6.221 ( -0.696 0.862 0.681) 1.301 6.747 ( 2.055 2.070 -1.527) 3.293 7.025 ( -6.924 -5.817 -3.604) 9.735 8.170 ( 1.350 -0.562 1.677) 2.225 8.689 ( -4.214 -4.471 -0.513) 6.165 8.844 ( 1.551 0.327 0.559) 1.681 8.881 ( 0.765 5.050 -3.409) 6.141 8.998 ( 0.713 1.311 1.497) 2.114 9.211 ( 0.761 -4.774 -0.190) 4.838 9.329 ( -2.070 1.914 0.104) 2.821 9.478 ( -0.060 -2.430 -1.066) 2.654 12.503 ( 0.046 -0.048 1.570) 1.571 12.702 ( -1.145 3.137 -0.389) 3.361 12.833 ( -0.654 0.252 -0.115) 0.710 12.874 ( 1.872 0.175 0.351) 1.913 13.395 ( 0.860 0.622 1.011) 1.466 13.515 ( -0.853 2.023 -1.274) 2.538 13.823 ( -0.865 -3.432 0.699) 3.607 14.033 ( -1.281 -2.678 -0.691) 3.048 14.236 ( -0.058 3.551 -1.191) 3.746 14.726 ( 1.316 0.906 0.530) 1.683 ======================= Grid point 20 (13/192) ======================= q-point: ( 0.22 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 12.658 16.806 8.921) 22.853 1.931 ( 21.310 18.233 -1.174) 28.070 2.648 ( 7.152 8.715 1.547) 11.379 2.974 ( 6.530 3.111 -3.741) 8.144 3.097 ( -0.788 3.004 -3.498) 4.678 3.208 ( 4.672 1.226 1.815) 5.160 3.395 ( -3.084 -4.187 -2.701) 5.860 3.437 ( 6.575 10.003 0.648) 11.988 3.691 ( -2.175 -1.311 1.639) 3.022 3.924 ( -0.140 -2.189 1.143) 2.473 4.520 ( 0.613 -2.172 0.282) 2.275 4.781 ( -11.311 -2.659 6.208) 13.174 5.080 ( 4.615 -5.786 -6.606) 9.920 5.572 ( 1.170 -3.422 7.477) 8.306 5.728 ( 3.431 1.157 2.163) 4.218 6.210 ( -1.083 0.323 1.117) 1.589 6.777 ( 0.491 2.743 -2.894) 4.018 6.832 ( -6.069 -3.741 -3.718) 8.041 8.231 ( 2.782 1.709 3.212) 4.581 8.585 ( -4.959 -1.718 -1.255) 5.396 8.849 ( -0.524 4.415 -3.773) 5.831 8.911 ( 3.911 -0.149 0.902) 4.016 9.024 ( 0.402 1.857 2.107) 2.837 9.209 ( -1.537 -0.666 -0.432) 1.730 9.293 ( -0.572 -2.660 -0.844) 2.849 9.471 ( 0.267 -1.871 -0.639) 1.995 12.498 ( -1.729 0.974 0.708) 2.107 12.702 ( 1.140 3.874 0.961) 4.151 12.808 ( -1.582 -0.445 -0.339) 1.678 12.915 ( 1.787 1.901 0.400) 2.640 13.435 ( 1.729 1.288 1.721) 2.759 13.482 ( -0.870 1.368 -1.537) 2.234 13.797 ( -2.346 -1.656 0.406) 2.900 14.000 ( -1.257 -2.699 -0.873) 3.102 14.221 ( -0.130 3.401 -1.795) 3.848 14.767 ( 2.139 0.821 0.908) 2.465 ======================= Grid point 21 (14/192) ======================= q-point: ( 0.33 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 15.033 10.947 5.441) 19.376 2.279 ( 17.345 13.250 -6.736) 22.842 2.731 ( -0.416 0.910 3.840) 3.969 2.929 ( -8.119 5.825 -9.037) 13.473 3.048 ( 2.413 0.345 0.668) 2.527 3.284 ( 1.221 -1.443 0.498) 1.955 3.350 ( 0.886 -2.179 -4.366) 4.960 3.483 ( -1.986 -4.770 0.600) 5.202 3.778 ( 6.782 0.921 0.470) 6.861 3.929 ( 0.295 -3.296 0.701) 3.383 4.556 ( 2.371 5.382 -0.454) 5.898 4.622 ( -10.003 -3.341 7.909) 13.182 5.167 ( 8.887 -7.246 -3.913) 12.116 5.620 ( -2.058 -7.178 5.058) 9.019 5.784 ( 0.092 -1.070 2.967) 3.155 6.198 ( -1.172 -0.893 1.171) 1.882 6.635 ( -5.103 1.892 -3.306) 6.367 6.856 ( 3.533 3.012 -0.869) 4.723 8.318 ( 2.886 4.435 3.595) 6.397 8.494 ( -3.153 -0.883 -1.224) 3.496 8.809 ( -0.493 4.586 -2.727) 5.358 8.985 ( 2.414 1.294 -0.601) 2.804 9.051 ( 0.473 1.626 3.111) 3.542 9.161 ( -2.063 1.313 0.403) 2.478 9.283 ( 0.310 -4.722 -2.505) 5.355 9.481 ( 0.692 -1.757 0.435) 1.938 12.460 ( -1.974 3.755 -0.292) 4.253 12.745 ( 1.756 3.680 1.430) 4.321 12.771 ( -1.671 -0.414 -0.476) 1.787 12.944 ( 0.809 2.715 0.384) 2.859 13.429 ( -1.152 0.999 -1.687) 2.274 13.514 ( 2.414 1.469 2.396) 3.705 13.744 ( -2.760 -0.759 -0.477) 2.902 13.974 ( -0.821 -2.131 -0.613) 2.364 14.204 ( -0.111 3.091 -1.546) 3.458 14.816 ( 1.973 0.878 0.868) 2.327 ======================= Grid point 22 (15/192) ======================= q-point: ( 0.44 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 11.703 7.769 3.439) 14.461 2.494 ( 9.740 1.980 -5.897) 11.557 2.603 ( -11.264 7.801 -1.710) 13.808 2.800 ( -2.316 13.024 -0.225) 13.230 3.104 ( 2.428 -4.834 1.688) 5.667 3.241 ( -3.008 -2.603 -2.822) 4.877 3.346 ( 0.519 -1.607 -0.275) 1.711 3.479 ( 0.491 -6.149 0.715) 6.210 3.829 ( -0.103 -4.892 -0.321) 4.903 3.963 ( 2.001 -8.394 -0.699) 8.658 4.505 ( -3.408 -1.635 1.153) 3.952 4.617 ( 0.511 7.159 2.463) 7.588 5.326 ( 8.182 -6.620 -2.213) 10.755 5.569 ( -5.246 -10.677 2.503) 12.157 5.797 ( -0.347 -2.879 1.591) 3.307 6.186 ( -0.631 -2.091 0.591) 2.263 6.562 ( -1.057 6.836 -1.106) 7.005 6.906 ( 1.593 3.525 -0.138) 3.871 8.384 ( 1.140 6.301 2.176) 6.763 8.446 ( -0.882 -0.896 -1.044) 1.635 8.792 ( 0.183 4.904 -0.896) 4.988 8.979 ( -1.029 3.394 -0.663) 3.608 9.091 ( 0.908 1.300 1.318) 2.062 9.157 ( 0.306 0.529 0.973) 1.149 9.263 ( -0.231 -4.443 -1.716) 4.768 9.496 ( 0.367 -1.953 0.345) 2.016 12.429 ( -0.771 6.099 -0.225) 6.152 12.743 ( -0.776 -0.504 -0.185) 0.943 12.780 ( 0.810 3.529 0.519) 3.657 12.954 ( 0.072 3.191 0.169) 3.196 13.401 ( -0.510 0.605 -0.730) 1.077 13.570 ( 1.308 1.893 1.385) 2.685 13.697 ( -1.311 -0.943 -0.582) 1.717 13.958 ( -0.379 -1.451 -0.266) 1.524 14.194 ( -0.035 2.817 -0.599) 2.880 14.849 ( 0.797 0.992 0.356) 1.321 ======================= Grid point 27 (16/192) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 0.000 25.539 0.000) 25.539 2.081 ( 0.000 25.646 0.000) 25.646 2.670 ( 0.000 8.750 0.000) 8.750 2.949 ( 0.000 1.922 0.000) 1.922 3.058 ( 0.000 1.698 0.000) 1.698 3.232 ( 0.000 9.747 0.000) 9.747 3.383 ( 0.000 2.319 0.000) 2.319 3.589 ( 0.000 9.548 0.000) 9.548 3.733 ( 0.000 -0.705 0.000) 0.705 3.873 ( 0.000 -1.642 0.000) 1.642 4.424 ( 0.000 -2.315 0.000) 2.315 4.922 ( 0.000 -4.629 0.000) 4.629 5.050 ( 0.000 0.237 0.000) 0.237 5.491 ( 0.000 3.636 0.000) 3.636 5.603 ( 0.000 -0.387 0.000) 0.387 6.216 ( 0.000 -2.212 0.000) 2.212 6.759 ( 0.000 1.006 0.000) 1.006 6.988 ( 0.000 -6.699 0.000) 6.699 8.157 ( 0.000 2.356 0.000) 2.356 8.580 ( 0.000 -7.749 0.000) 7.749 8.808 ( 0.000 -1.691 0.000) 1.691 9.005 ( 0.000 1.916 0.000) 1.916 9.020 ( 0.000 1.213 0.000) 1.213 9.122 ( 0.000 -0.366 0.000) 0.366 9.390 ( 0.000 1.673 0.000) 1.673 9.429 ( 0.000 -2.775 0.000) 2.775 12.504 ( 0.000 1.257 0.000) 1.257 12.766 ( 0.000 2.023 0.000) 2.023 12.792 ( 0.000 -3.548 0.000) 3.548 12.880 ( 0.000 1.797 0.000) 1.797 13.400 ( 0.000 1.730 0.000) 1.730 13.584 ( 0.000 3.409 0.000) 3.409 13.744 ( 0.000 -4.210 0.000) 4.210 13.987 ( 0.000 -3.809 0.000) 3.809 14.317 ( 0.000 4.264 0.000) 4.264 14.713 ( 0.000 -0.964 0.000) 0.964 ======================= Grid point 28 (17/192) ======================= q-point: ( 0.11 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 6.410 20.689 8.521) 23.275 2.063 ( 1.059 21.531 1.745) 21.627 2.798 ( 7.807 9.543 -0.882) 12.361 2.902 ( 1.020 -0.963 -5.411) 5.590 3.111 ( 3.012 1.386 2.849) 4.371 3.237 ( 0.902 8.597 -1.030) 8.705 3.388 ( -1.091 -1.663 0.027) 1.989 3.596 ( 2.085 10.241 -3.201) 10.930 3.711 ( -2.498 -0.153 1.541) 2.939 3.878 ( -0.144 -0.680 1.804) 1.933 4.442 ( 1.221 0.118 3.044) 3.281 4.875 ( -5.591 -2.960 1.674) 6.544 5.031 ( 1.095 -0.114 -6.200) 6.297 5.482 ( -3.174 0.030 7.953) 8.563 5.656 ( 4.108 0.077 -0.465) 4.135 6.209 ( -0.652 -2.432 -0.217) 2.527 6.781 ( 2.572 1.325 -0.855) 3.017 6.910 ( -6.091 -5.796 -2.832) 8.872 8.193 ( 3.019 3.190 1.686) 4.704 8.569 ( -1.090 -6.283 -0.589) 6.404 8.827 ( 2.060 -1.580 0.424) 2.631 8.983 ( -0.640 2.632 -0.995) 2.885 9.062 ( 1.638 4.056 1.286) 4.560 9.109 ( 0.057 -3.860 -1.274) 4.065 9.362 ( -2.873 1.400 0.020) 3.196 9.424 ( 0.192 -2.951 -1.281) 3.223 12.514 ( 0.383 1.222 1.049) 1.655 12.744 ( -0.311 0.648 -1.206) 1.404 12.814 ( 0.746 -0.692 0.234) 1.044 12.900 ( 1.881 1.511 0.485) 2.461 13.420 ( 1.368 2.079 1.502) 2.907 13.563 ( -1.589 2.988 -0.897) 3.501 13.757 ( 0.525 -3.331 1.082) 3.541 13.971 ( -1.265 -3.743 -0.699) 4.012 14.312 ( -0.057 4.331 -1.152) 4.482 14.726 ( 1.358 -1.053 0.123) 1.723 ======================= Grid point 29 (18/192) ======================= q-point: ( 0.22 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 5.676 12.343 8.613) 16.086 2.232 ( 13.009 13.295 0.739) 18.615 2.792 ( -1.508 5.617 -1.611) 6.035 2.999 ( 7.005 -0.492 -3.801) 7.985 3.175 ( -0.217 2.080 0.241) 2.106 3.248 ( 1.099 4.297 -1.236) 4.605 3.321 ( -3.406 -2.777 -0.373) 4.410 3.559 ( -3.547 2.248 -5.163) 6.656 3.708 ( 1.446 0.159 1.006) 1.769 3.886 ( -0.878 -1.528 0.365) 1.800 4.547 ( 4.183 6.755 8.942) 11.962 4.749 ( -7.065 0.670 -0.156) 7.099 5.009 ( 2.909 -1.363 -7.162) 7.849 5.500 ( -2.524 -3.796 8.268) 9.441 5.715 ( 0.797 -2.897 1.794) 3.500 6.187 ( -1.392 -3.245 -0.565) 3.575 6.756 ( -5.745 -2.173 -2.743) 6.727 6.841 ( 4.042 2.053 -0.797) 4.603 8.297 ( 5.316 5.144 3.153) 8.041 8.527 ( -2.309 -3.077 -1.177) 4.024 8.897 ( 4.444 -1.423 0.655) 4.712 8.956 ( -0.734 5.180 -2.900) 5.982 9.065 ( -1.848 1.234 3.833) 4.430 9.147 ( 3.701 -3.240 -2.067) 5.335 9.286 ( -4.154 0.705 -0.983) 4.326 9.422 ( 0.428 -3.068 -0.490) 3.136 12.525 ( -0.078 1.846 0.853) 2.035 12.746 ( 1.313 -0.041 -1.438) 1.948 12.822 ( 0.084 2.485 0.656) 2.571 12.948 ( 2.278 1.432 0.630) 2.763 13.475 ( 2.337 2.777 2.538) 4.428 13.515 ( -2.051 2.229 -1.387) 3.332 13.764 ( -0.969 -1.757 0.656) 2.111 13.939 ( -0.993 -3.528 -0.690) 3.730 14.297 ( -0.177 4.463 -1.879) 4.845 14.765 ( 2.305 -1.235 0.340) 2.637 ======================= Grid point 30 (19/192) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 9.488 4.753 5.292) 11.859 2.449 ( 8.309 5.116 -2.984) 10.204 2.795 ( 1.781 5.083 1.613) 5.622 3.014 ( -3.489 2.651 -4.760) 6.470 3.120 ( 0.518 2.507 -1.257) 2.852 3.242 ( -1.065 -0.735 -0.597) 1.425 3.325 ( 2.162 -0.554 -0.809) 2.374 3.414 ( -6.471 -1.161 -2.648) 7.087 3.743 ( 0.919 -3.866 0.103) 3.976 3.831 ( -3.295 -7.147 -2.369) 8.219 4.579 ( -8.891 -0.166 7.830) 11.848 4.726 ( 5.399 11.983 -2.874) 13.454 5.071 ( 8.068 -2.181 -2.330) 8.677 5.484 ( -4.642 -6.790 3.166) 8.814 5.719 ( -2.289 -5.739 4.687) 7.755 6.149 ( -1.846 -4.504 -0.430) 4.887 6.682 ( -0.443 3.249 -1.012) 3.431 6.915 ( 3.606 2.630 0.025) 4.463 8.428 ( 4.152 6.350 3.688) 8.436 8.477 ( -0.908 0.356 -1.456) 1.753 8.915 ( -0.658 5.760 -2.685) 6.389 8.992 ( 4.681 -0.714 -1.091) 4.859 9.076 ( -1.531 -0.557 6.279) 6.487 9.180 ( 0.100 0.669 -1.050) 1.249 9.208 ( -1.001 -2.033 -3.051) 3.801 9.432 ( 0.555 -3.150 0.454) 3.230 12.531 ( 0.190 3.579 0.532) 3.623 12.751 ( 0.413 -0.833 -1.979) 2.186 12.840 ( 0.807 4.915 1.439) 5.184 12.990 ( 1.325 1.923 0.598) 2.410 13.458 ( -1.951 1.999 -1.572) 3.205 13.552 ( 2.543 2.547 3.004) 4.688 13.728 ( -2.274 -0.910 -1.002) 2.647 13.927 ( -0.164 -2.691 0.000) 2.696 14.277 ( -0.209 4.537 -1.737) 4.863 14.814 ( 2.218 -1.346 0.422) 2.628 ======================= Grid point 31 (20/192) ======================= q-point: ( 0.44 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 5.725 -0.824 4.344) 7.233 2.502 ( 1.703 -0.427 -5.368) 5.648 2.790 ( -2.995 9.573 0.308) 10.035 2.980 ( 2.510 1.672 -0.223) 3.024 3.130 ( 0.474 7.696 -0.816) 7.754 3.189 ( -2.385 -2.483 -2.208) 4.090 3.301 ( -1.933 -2.689 0.427) 3.339 3.381 ( 1.605 -2.962 0.209) 3.376 3.712 ( -2.729 -8.136 -0.741) 8.614 3.783 ( -0.021 -8.650 -0.746) 8.682 4.493 ( -3.320 1.694 1.979) 4.220 4.772 ( 1.283 8.548 -0.719) 8.674 5.225 ( 7.374 -3.505 -1.548) 8.310 5.389 ( -5.745 -7.921 1.330) 9.875 5.720 ( -1.038 -5.170 2.985) 6.060 6.118 ( -0.914 -5.292 -0.179) 5.373 6.690 ( 0.823 6.434 -0.231) 6.491 6.968 ( 1.454 2.687 0.241) 3.065 8.437 ( -0.821 0.762 0.087) 1.124 8.531 ( 2.293 8.416 0.933) 8.773 8.894 ( 0.029 5.401 -0.977) 5.489 9.033 ( 0.659 1.520 -1.265) 2.084 9.100 ( -0.215 -0.699 3.160) 3.243 9.163 ( -0.767 -2.794 2.331) 3.719 9.193 ( 0.959 0.568 -3.919) 4.074 9.445 ( 0.282 -3.263 0.358) 3.295 12.541 ( 0.322 5.237 0.294) 5.255 12.737 ( -0.218 -0.130 -0.923) 0.957 12.865 ( 0.576 5.044 0.593) 5.111 13.008 ( 0.294 2.370 0.288) 2.406 13.420 ( -0.799 1.430 -0.706) 1.784 13.616 ( 1.579 2.641 2.399) 3.902 13.676 ( -1.546 -0.932 -1.768) 2.527 13.926 ( -0.069 -1.871 0.074) 1.874 14.264 ( -0.087 4.544 -0.701) 4.599 14.849 ( 0.918 -1.356 0.193) 1.649 ======================= Grid point 36 (21/192) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 0.000 20.694 0.000) 20.694 2.514 ( 0.000 20.486 0.000) 20.486 2.691 ( 0.000 -2.044 0.000) 2.044 2.986 ( 0.000 1.968 0.000) 1.968 3.072 ( 0.000 -0.778 0.000) 0.778 3.352 ( 0.000 -2.342 0.000) 2.342 3.372 ( 0.000 3.962 0.000) 3.962 3.578 ( 0.000 -11.535 0.000) 11.535 3.746 ( 0.000 1.890 0.000) 1.890 3.938 ( 0.000 1.667 0.000) 1.667 4.562 ( 0.000 16.823 0.000) 16.823 4.859 ( 0.000 -1.197 0.000) 1.197 5.089 ( 0.000 3.639 0.000) 3.639 5.561 ( 0.000 -4.523 0.000) 4.523 5.585 ( 0.000 6.705 0.000) 6.705 6.132 ( 0.000 -6.625 0.000) 6.625 6.769 ( 0.000 0.133 0.000) 0.133 6.868 ( 0.000 -5.453 0.000) 5.453 8.238 ( 0.000 5.739 0.000) 5.739 8.465 ( 0.000 -3.968 0.000) 3.968 8.765 ( 0.000 -2.688 0.000) 2.688 8.919 ( 0.000 -7.694 0.000) 7.694 9.049 ( 0.000 2.636 0.000) 2.636 9.174 ( 0.000 1.396 0.000) 1.396 9.398 ( 0.000 0.042 0.000) 0.042 9.417 ( 0.000 1.114 0.000) 1.114 12.540 ( 0.000 2.437 0.000) 2.437 12.723 ( 0.000 -3.578 0.000) 3.578 12.803 ( 0.000 1.867 0.000) 1.867 12.895 ( 0.000 -0.189 0.000) 0.189 13.449 ( 0.000 3.264 0.000) 3.264 13.657 ( 0.000 4.185 0.000) 4.185 13.667 ( 0.000 -3.908 0.000) 3.908 13.909 ( 0.000 -4.298 0.000) 4.298 14.403 ( 0.000 4.723 0.000) 4.723 14.672 ( 0.000 -3.274 0.000) 3.274 ======================= Grid point 37 (22/192) ======================= q-point: ( 0.11 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 1.114 17.882 5.180) 18.650 2.397 ( -4.647 13.357 0.709) 14.160 2.844 ( 9.212 0.848 -2.050) 9.476 2.939 ( -2.623 2.484 -1.924) 4.093 3.123 ( 3.614 -0.033 2.006) 4.133 3.342 ( -1.844 -1.791 0.015) 2.571 3.352 ( -1.313 2.359 -1.553) 3.115 3.583 ( 1.227 -9.545 -0.559) 9.640 3.714 ( -3.594 1.467 0.464) 3.909 3.916 ( -2.126 -0.626 -1.048) 2.452 4.620 ( 1.487 15.969 9.824) 18.808 4.855 ( 1.284 1.803 -3.942) 4.520 5.070 ( 0.287 3.870 -5.125) 6.429 5.481 ( -8.253 -0.718 11.517) 14.187 5.645 ( 3.197 -0.290 -4.486) 5.516 6.118 ( -0.708 -7.204 -1.773) 7.453 6.792 ( 1.994 -0.305 -0.131) 2.021 6.820 ( -2.940 -3.226 -2.132) 4.858 8.287 ( 4.356 6.205 1.353) 7.701 8.481 ( 1.244 -2.585 0.136) 2.872 8.783 ( 1.868 -2.904 0.566) 3.499 8.926 ( -0.184 -7.305 2.218) 7.636 9.070 ( 2.591 2.179 -1.883) 3.874 9.165 ( -0.859 2.637 0.092) 2.775 9.374 ( -1.893 -0.454 -1.524) 2.472 9.391 ( -1.797 0.254 -0.849) 2.004 12.549 ( 0.638 2.329 0.437) 2.454 12.717 ( 0.125 -2.679 -0.841) 2.810 12.830 ( 2.274 1.760 0.039) 2.875 12.916 ( 1.902 -0.003 0.294) 1.925 13.473 ( 1.586 3.376 1.879) 4.177 13.622 ( -2.341 2.465 0.027) 3.399 13.702 ( 1.840 -1.827 0.653) 2.673 13.894 ( -1.130 -4.210 -0.666) 4.410 14.400 ( 0.167 4.916 -1.101) 5.041 14.683 ( 1.316 -3.442 -0.335) 3.700 ======================= Grid point 38 (23/192) ======================= q-point: ( 0.22 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -1.745 11.352 7.397) 13.661 2.433 ( 5.334 7.567 0.566) 9.275 2.861 ( -0.201 2.005 -4.194) 4.653 2.979 ( 4.210 -1.260 0.309) 4.405 3.174 ( -2.011 -0.993 -1.187) 2.537 3.274 ( -1.803 -2.648 -4.323) 5.380 3.334 ( 0.366 3.474 2.484) 4.287 3.598 ( -4.094 2.140 -3.108) 5.568 3.630 ( -0.530 -6.322 1.843) 6.606 3.828 ( -5.411 -4.845 -2.562) 7.701 4.698 ( -7.080 6.770 15.461) 18.303 4.903 ( 10.461 14.305 -7.365) 19.191 5.025 ( 0.726 2.758 -7.293) 7.831 5.446 ( -5.663 -0.996 11.279) 12.660 5.615 ( -3.392 -7.003 -0.917) 7.835 6.076 ( -1.669 -8.433 -2.740) 9.023 6.747 ( -1.160 1.142 -1.370) 2.127 6.861 ( 4.151 -0.061 0.002) 4.151 8.418 ( 7.067 7.047 2.223) 10.225 8.500 ( 0.495 0.730 0.197) 0.904 8.853 ( 4.578 -3.225 0.691) 5.642 8.948 ( -0.288 -6.608 4.461) 7.978 9.079 ( 0.323 3.252 -5.102) 6.059 9.166 ( 1.232 2.628 1.137) 3.117 9.297 ( -3.965 0.301 -2.140) 4.516 9.366 ( -0.269 -2.482 -0.198) 2.504 12.568 ( 0.930 2.554 0.576) 2.778 12.721 ( 0.993 -2.048 -1.109) 2.532 12.878 ( 2.551 2.863 0.041) 3.835 12.966 ( 2.635 0.278 0.489) 2.695 13.533 ( 2.117 3.043 2.848) 4.674 13.569 ( -2.521 3.279 -0.638) 4.185 13.732 ( 0.275 -1.395 0.448) 1.491 13.868 ( -0.568 -3.893 -0.408) 3.955 14.391 ( 0.187 5.444 -1.860) 5.756 14.716 ( 2.264 -3.907 -0.381) 4.531 ======================= Grid point 39 (24/192) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 2.468 4.701 6.484) 8.380 2.508 ( 1.338 1.290 -0.453) 1.913 2.876 ( 4.212 2.663 -2.286) 5.483 3.042 ( 1.357 -1.416 -1.568) 2.511 3.063 ( -4.494 -2.916 0.289) 5.365 3.212 ( -0.422 -4.157 -5.973) 7.289 3.365 ( -2.045 3.299 0.292) 3.892 3.450 ( -5.145 3.846 0.452) 6.440 3.665 ( 1.478 -3.649 -0.364) 3.953 3.672 ( -7.600 -8.698 -3.241) 11.997 4.646 ( -6.614 7.388 8.389) 12.989 4.948 ( 1.632 8.160 -9.272) 12.458 5.109 ( 8.138 6.376 0.783) 10.368 5.376 ( -6.639 -3.440 -0.778) 7.517 5.575 ( -2.953 -8.524 9.510) 13.108 6.020 ( -1.754 -9.047 -2.111) 9.454 6.759 ( 2.542 4.625 -0.288) 5.285 6.943 ( 3.587 0.064 0.649) 3.646 8.494 ( -0.090 3.626 -0.135) 3.630 8.584 ( 6.442 7.656 2.558) 10.328 8.944 ( 3.528 -4.103 -0.139) 5.413 8.994 ( 1.253 -4.301 5.206) 6.868 9.029 ( -0.809 3.494 -3.911) 5.307 9.193 ( -1.995 -0.283 -1.195) 2.343 9.218 ( 0.282 2.583 -0.802) 2.719 9.370 ( 0.343 -3.108 0.547) 3.174 12.596 ( 1.319 3.217 0.818) 3.571 12.731 ( 0.880 -1.304 -1.200) 1.979 12.926 ( 2.123 3.864 0.194) 4.413 13.015 ( 1.848 0.682 0.509) 2.034 13.504 ( -2.528 2.715 -1.300) 3.931 13.601 ( 1.218 1.924 3.079) 3.829 13.716 ( -0.814 0.227 -1.355) 1.597 13.873 ( 0.589 -2.909 0.723) 3.055 14.379 ( 0.131 6.120 -1.779) 6.375 14.759 ( 2.237 -4.463 -0.215) 4.997 ======================= Grid point 40 (25/192) ======================= q-point: ( 0.44 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 2.350 0.123 5.084) 5.603 2.492 ( -0.759 -0.677 -3.044) 3.209 2.918 ( 0.487 3.760 -1.603) 4.116 2.988 ( 0.070 0.149 -0.646) 0.666 3.097 ( 1.637 -5.195 1.169) 5.571 3.162 ( -1.139 -3.893 -2.446) 4.737 3.272 ( -2.522 -1.936 -0.713) 3.258 3.443 ( 0.254 7.471 1.058) 7.550 3.507 ( -5.343 -11.280 -2.122) 12.661 3.684 ( 0.510 -2.920 -0.228) 2.973 4.604 ( -2.327 9.881 2.859) 10.546 4.921 ( 0.951 6.227 -3.095) 7.018 5.200 ( 0.326 0.214 -2.090) 2.126 5.267 ( -1.438 -4.716 0.619) 4.969 5.614 ( -0.421 -4.832 5.076) 7.021 5.982 ( -0.723 -8.841 -0.952) 8.921 6.806 ( 1.657 5.710 -0.027) 5.945 6.998 ( 1.377 0.214 0.452) 1.465 8.489 ( -0.190 4.958 0.034) 4.961 8.693 ( 2.710 8.009 0.969) 8.511 8.983 ( 0.001 -1.755 2.189) 2.805 8.997 ( 0.476 0.042 -3.006) 3.043 9.060 ( 1.781 -2.779 1.144) 3.493 9.132 ( -2.024 0.051 -0.216) 2.036 9.237 ( 0.775 2.652 -0.391) 2.790 9.381 ( 0.214 -3.228 0.369) 3.256 12.625 ( 0.815 3.647 0.581) 3.782 12.733 ( 0.231 -0.396 -0.669) 0.811 12.958 ( 0.899 4.308 0.083) 4.402 13.042 ( 0.550 1.063 0.270) 1.227 13.458 ( -1.090 2.526 -0.655) 2.828 13.621 ( -0.497 -2.028 0.976) 2.305 13.706 ( 0.441 3.784 -0.531) 3.846 13.887 ( 0.233 -2.151 0.396) 2.200 14.370 ( 0.055 6.609 -0.731) 6.650 14.790 ( 0.943 -4.816 -0.056) 4.908 ======================= Grid point 45 (26/192) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 0.000 12.828 0.000) 12.828 2.628 ( 0.000 -5.276 0.000) 5.276 2.890 ( 0.000 18.723 0.000) 18.723 3.025 ( 0.000 2.622 0.000) 2.622 3.042 ( 0.000 -1.960 0.000) 1.960 3.262 ( 0.000 -15.398 0.000) 15.398 3.358 ( 0.000 -1.605 0.000) 1.605 3.384 ( 0.000 -1.771 0.000) 1.771 3.801 ( 0.000 3.880 0.000) 3.880 3.888 ( 0.000 -4.701 0.000) 4.701 4.845 ( 0.000 7.805 0.000) 7.805 4.874 ( 0.000 1.710 0.000) 1.710 5.206 ( 0.000 9.743 0.000) 9.743 5.419 ( 0.000 -10.271 0.000) 10.271 5.757 ( 0.000 10.863 0.000) 10.863 5.967 ( 0.000 -10.358 0.000) 10.358 6.770 ( 0.000 0.221 0.000) 0.221 6.792 ( 0.000 -2.423 0.000) 2.423 8.352 ( 0.000 5.322 0.000) 5.322 8.419 ( 0.000 -1.888 0.000) 1.888 8.725 ( 0.000 -0.473 0.000) 0.473 8.779 ( 0.000 -5.955 0.000) 5.955 9.103 ( 0.000 2.945 0.000) 2.945 9.157 ( 0.000 -2.391 0.000) 2.391 9.418 ( 0.000 1.225 0.000) 1.225 9.429 ( 0.000 0.095 0.000) 0.095 12.594 ( 0.000 3.132 0.000) 3.132 12.656 ( 0.000 -3.407 0.000) 3.407 12.840 ( 0.000 1.999 0.000) 1.999 12.876 ( 0.000 -1.651 0.000) 1.651 13.519 ( 0.000 3.875 0.000) 3.875 13.593 ( 0.000 -3.862 0.000) 3.862 13.740 ( 0.000 4.454 0.000) 4.454 13.825 ( 0.000 -4.432 0.000) 4.432 14.497 ( 0.000 5.078 0.000) 5.078 14.593 ( 0.000 -4.772 0.000) 4.772 ======================= Grid point 46 (27/192) ======================= q-point: ( 0.11 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( -1.359 10.322 1.777) 10.562 2.548 ( -5.311 1.588 0.611) 5.577 2.911 ( 1.615 5.349 -1.755) 5.857 2.964 ( -2.514 -0.063 -2.100) 3.277 3.138 ( 5.147 3.263 1.644) 6.312 3.288 ( -1.586 -9.256 -1.694) 9.543 3.341 ( 0.435 1.187 1.199) 1.743 3.401 ( 3.160 -5.703 0.953) 6.590 3.765 ( -3.845 3.710 0.051) 5.343 3.850 ( -3.843 -4.749 -0.451) 6.126 4.849 ( -3.494 7.063 9.332) 12.214 4.918 ( 4.061 0.867 -0.701) 4.211 5.199 ( 0.643 10.284 -2.950) 10.718 5.396 ( -4.276 -8.511 6.593) 11.584 5.727 ( -1.790 9.314 -4.544) 10.517 5.939 ( -1.475 -11.186 -3.330) 11.764 6.777 ( 0.102 -0.223 -0.646) 0.691 6.788 ( 1.527 -1.004 -0.829) 2.007 8.405 ( 4.877 5.296 1.050) 7.276 8.461 ( 3.601 -0.687 0.866) 3.767 8.736 ( 0.842 -0.944 1.072) 1.658 8.787 ( 0.090 -6.062 1.678) 6.291 9.121 ( 1.863 2.769 -0.660) 3.402 9.168 ( 0.996 -1.785 -0.062) 2.045 9.382 ( -2.595 1.021 -1.811) 3.325 9.395 ( -2.767 -0.194 -1.214) 3.028 12.600 ( 0.735 2.991 -0.113) 3.082 12.660 ( 0.621 -3.145 -0.496) 3.244 12.867 ( 2.542 1.970 0.078) 3.217 12.901 ( 2.310 -1.418 0.190) 2.717 13.542 ( 1.342 3.684 2.056) 4.427 13.608 ( 0.296 -2.986 1.998) 3.605 13.732 ( -0.253 3.859 -0.959) 3.985 13.812 ( -0.917 -4.332 -0.761) 4.493 14.499 ( 0.598 5.361 -0.987) 5.484 14.600 ( 1.052 -5.036 -0.735) 5.197 ======================= Grid point 47 (28/192) ======================= q-point: ( 0.22 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -4.879 8.711 4.810) 11.082 2.506 ( -1.377 -0.485 2.056) 2.522 2.897 ( 0.547 2.299 -3.710) 4.398 2.946 ( 1.176 -2.369 -0.976) 2.819 3.160 ( -2.155 0.193 -3.286) 3.934 3.200 ( -2.674 -3.922 -4.850) 6.787 3.409 ( 3.962 4.462 3.239) 6.789 3.506 ( 4.071 -5.778 2.500) 7.497 3.650 ( -7.328 3.128 -1.104) 8.043 3.728 ( -7.792 -5.005 -1.570) 9.393 4.850 ( -4.339 8.824 9.080) 13.384 4.988 ( 1.594 -4.147 2.170) 4.944 5.192 ( 1.699 10.964 -3.702) 11.696 5.387 ( -3.271 -8.999 8.335) 12.695 5.610 ( -4.998 10.930 -5.310) 13.140 5.866 ( -2.089 -13.217 -4.612) 14.154 6.788 ( 2.194 2.817 -0.574) 3.616 6.839 ( 3.697 -2.147 -0.052) 4.275 8.538 ( 6.443 4.543 -0.105) 7.885 8.550 ( 4.779 3.308 2.605) 6.369 8.786 ( 3.244 -2.862 1.372) 4.539 8.812 ( 0.313 -5.915 4.286) 7.312 9.143 ( 1.188 3.053 -3.177) 4.563 9.186 ( 1.039 -0.954 -0.770) 1.607 9.307 ( -3.244 0.997 -1.549) 3.730 9.331 ( -2.219 -1.398 -0.166) 2.628 12.620 ( 1.378 2.875 0.055) 3.189 12.675 ( 1.330 -2.703 -0.534) 3.060 12.926 ( 3.260 2.127 -0.021) 3.892 12.958 ( 3.089 -1.088 0.209) 3.282 13.586 ( 0.387 2.414 2.139) 3.248 13.613 ( -1.331 0.294 1.494) 2.023 13.730 ( 0.812 1.874 -0.440) 2.090 13.793 ( 0.039 -3.913 -0.333) 3.927 14.503 ( 0.958 6.188 -1.630) 6.470 14.621 ( 1.790 -5.816 -1.107) 6.185 ======================= Grid point 48 (29/192) ======================= q-point: ( 0.33 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -2.119 6.344 6.043) 9.015 2.490 ( -2.543 -3.446 3.199) 5.346 2.908 ( 3.413 1.530 -3.434) 5.077 2.960 ( 1.033 -3.989 -0.911) 4.220 3.074 ( -2.211 1.764 -4.235) 5.092 3.129 ( -0.472 -3.907 -5.287) 6.591 3.422 ( -8.566 3.383 -0.986) 9.263 3.504 ( -4.610 -2.815 0.188) 5.404 3.547 ( -4.407 0.288 -0.388) 4.433 3.604 ( 2.242 -3.152 0.305) 3.880 4.836 ( -3.477 11.079 6.785) 13.449 4.997 ( -0.692 -3.572 -0.903) 3.749 5.198 ( 0.116 3.710 -0.042) 3.713 5.321 ( -6.628 -7.292 -2.502) 10.167 5.555 ( 0.666 10.930 4.170) 11.717 5.807 ( -0.659 -12.979 -2.700) 13.273 6.848 ( 3.594 4.369 0.051) 5.657 6.917 ( 3.710 -2.669 0.508) 4.599 8.600 ( 1.606 7.004 0.504) 7.203 8.694 ( 5.887 1.121 1.202) 6.112 8.845 ( 1.675 -2.652 2.598) 4.073 8.899 ( 4.137 -4.911 3.520) 7.322 9.110 ( -0.900 3.814 -3.664) 5.365 9.169 ( -1.483 -2.225 -2.791) 3.866 9.270 ( -0.016 2.588 0.864) 2.728 9.317 ( -0.019 -2.490 0.917) 2.653 12.653 ( 1.637 2.747 0.437) 3.227 12.699 ( 1.416 -2.049 -0.328) 2.512 12.985 ( 2.628 2.294 -0.068) 3.489 13.014 ( 2.378 -0.795 0.180) 2.514 13.557 ( -2.475 2.740 -0.668) 3.753 13.602 ( -1.686 -1.645 0.723) 2.464 13.752 ( 1.486 3.131 0.439) 3.494 13.815 ( 1.321 -3.206 1.094) 3.636 14.509 ( 0.933 7.331 -1.525) 7.546 14.648 ( 1.789 -6.869 -0.940) 7.160 ======================= Grid point 49 (30/192) ======================= q-point: ( 0.44 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( -0.155 2.807 4.030) 4.914 2.467 ( -1.362 -2.199 0.719) 2.685 2.954 ( 3.101 0.906 -1.878) 3.737 2.990 ( 2.059 -2.040 0.072) 2.899 3.020 ( -0.405 0.677 -1.014) 1.284 3.083 ( -1.272 -4.142 -3.953) 5.866 3.256 ( -5.102 1.036 -0.465) 5.227 3.327 ( -6.446 -6.717 -1.347) 9.407 3.566 ( 0.669 4.921 0.812) 5.033 3.636 ( 0.770 -2.698 0.101) 2.808 4.830 ( -1.179 12.055 2.724) 12.415 4.977 ( -0.153 -1.576 -0.882) 1.813 5.176 ( -2.693 -1.481 -2.303) 3.841 5.203 ( -1.352 -3.440 0.543) 3.735 5.613 ( 1.031 6.003 2.584) 6.616 5.790 ( 0.072 -10.682 -0.831) 10.715 6.905 ( 1.738 4.541 0.106) 4.863 6.975 ( 1.538 -2.575 0.341) 3.019 8.621 ( 0.363 8.426 0.321) 8.440 8.772 ( 1.640 -4.285 0.275) 4.596 8.898 ( 1.314 1.802 1.445) 2.658 8.983 ( 1.966 -4.478 1.007) 4.993 9.075 ( -0.294 3.303 -1.466) 3.626 9.122 ( -1.120 -1.460 -0.917) 2.056 9.284 ( 0.403 2.245 0.342) 2.307 9.327 ( 0.179 -2.417 0.463) 2.467 12.683 ( 0.826 2.412 0.361) 2.575 12.718 ( 0.604 -1.288 -0.137) 1.429 13.021 ( 1.068 2.305 -0.051) 2.541 13.047 ( 0.857 -0.486 0.103) 0.991 13.513 ( -1.181 3.097 -0.492) 3.351 13.571 ( -1.057 -2.957 -0.130) 3.143 13.781 ( 0.726 3.662 0.401) 3.754 13.842 ( 0.514 -2.718 0.543) 2.820 14.514 ( 0.404 8.192 -0.618) 8.225 14.669 ( 0.767 -7.624 -0.359) 7.671 ======================= Grid point 99 (31/192) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -7.582 0.000 36.157) 36.943 0.851 ( 16.561 0.000 39.501) 42.832 1.178 ( -15.278 0.000 53.153) 55.305 2.793 ( 0.515 0.000 0.287) 0.590 2.950 ( 0.497 0.000 -0.756) 0.905 3.194 ( 1.609 0.000 -0.022) 1.609 3.238 ( -1.999 0.000 0.028) 2.000 3.555 ( -3.646 0.000 -5.043) 6.223 3.816 ( 0.871 0.000 -2.531) 2.676 3.901 ( 1.723 0.000 -3.826) 4.196 4.746 ( -4.902 0.000 2.962) 5.727 4.886 ( 7.546 0.000 -10.123) 12.626 5.258 ( 0.484 0.000 -2.335) 2.384 5.380 ( 1.164 0.000 7.370) 7.462 5.542 ( 3.096 0.000 -2.572) 4.025 6.284 ( -2.319 0.000 8.805) 9.106 6.584 ( 2.050 0.000 -9.827) 10.038 7.202 ( -3.062 0.000 -4.141) 5.150 8.262 ( -0.634 0.000 4.277) 4.324 8.646 ( -2.763 0.000 -0.247) 2.774 8.798 ( 1.743 0.000 -0.054) 1.743 8.881 ( 0.801 0.000 -0.579) 0.989 9.086 ( -1.532 0.000 -1.005) 1.832 9.199 ( 0.516 0.000 -1.100) 1.215 9.305 ( 1.214 0.000 -1.292) 1.773 9.503 ( -0.546 0.000 -2.852) 2.904 12.517 ( 2.567 0.000 1.834) 3.155 12.641 ( 0.024 0.000 -0.677) 0.677 12.805 ( -2.120 0.000 1.650) 2.687 12.917 ( -0.780 0.000 -0.044) 0.781 13.346 ( 1.496 0.000 -0.021) 1.496 13.480 ( -1.860 0.000 -0.291) 1.882 13.917 ( 0.495 0.000 -1.336) 1.425 14.078 ( 0.092 0.000 -1.277) 1.280 14.217 ( -3.229 0.000 4.541) 5.572 14.659 ( 1.531 0.000 -1.152) 1.916 ======================= Grid point 100 (32/192) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 9.844 0.000 26.552) 28.318 1.130 ( -0.623 0.000 35.413) 35.419 2.034 ( 39.083 0.000 34.798) 52.329 2.824 ( 2.644 0.000 0.443) 2.681 2.977 ( 2.747 0.000 -0.909) 2.894 3.158 ( -5.542 0.000 -4.641) 7.229 3.237 ( 2.341 0.000 0.572) 2.410 3.437 ( -2.450 0.000 -6.142) 6.613 3.785 ( -1.502 0.000 -3.257) 3.587 3.914 ( 2.533 0.000 -2.974) 3.907 4.648 ( -6.257 0.000 0.688) 6.295 4.921 ( 3.768 0.000 -6.963) 7.917 5.257 ( -1.530 0.000 4.618) 4.865 5.527 ( 8.461 0.000 2.520) 8.828 5.603 ( 4.543 0.000 -0.683) 4.594 6.311 ( -2.954 0.000 10.538) 10.944 6.546 ( 3.259 0.000 -11.830) 12.271 7.036 ( -8.494 0.000 -7.379) 11.252 8.289 ( -0.717 0.000 5.570) 5.616 8.574 ( -3.894 0.000 -0.599) 3.940 8.845 ( 2.965 0.000 -0.192) 2.971 8.880 ( -0.895 0.000 -0.633) 1.096 9.038 ( -1.761 0.000 -1.229) 2.148 9.171 ( -1.735 0.000 -1.435) 2.252 9.357 ( 3.884 0.000 0.214) 3.890 9.456 ( -1.128 0.000 -4.177) 4.327 12.586 ( -4.544 0.000 -1.121) 4.680 12.596 ( 3.031 0.000 3.321) 4.497 12.816 ( 0.932 0.000 2.299) 2.480 12.887 ( -1.958 0.000 -0.543) 2.032 13.394 ( 2.726 0.000 1.165) 2.964 13.437 ( -1.611 0.000 -1.812) 2.424 13.892 ( -1.960 0.000 -0.993) 2.197 14.059 ( -0.734 0.000 -1.571) 1.734 14.189 ( -2.928 0.000 3.660) 4.687 14.694 ( 2.551 0.000 -0.441) 2.589 ======================= Grid point 101 (33/192) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 13.667 0.000 19.725) 23.997 1.510 ( 13.292 0.000 15.697) 20.569 2.826 ( 5.121 0.000 13.072) 14.039 2.896 ( -10.302 0.000 -10.647) 14.816 3.024 ( 28.792 0.000 7.704) 29.805 3.071 ( 4.147 0.000 -1.385) 4.373 3.285 ( 2.393 0.000 0.362) 2.420 3.380 ( -0.023 0.000 -3.506) 3.506 3.717 ( -2.454 0.000 -3.164) 4.005 3.952 ( 3.182 0.000 -0.858) 3.296 4.539 ( -5.091 0.000 0.965) 5.182 4.921 ( -0.870 0.000 -0.777) 1.166 5.283 ( 0.912 0.000 4.149) 4.248 5.701 ( 5.076 0.000 1.553) 5.308 5.703 ( 8.070 0.000 -0.406) 8.081 6.344 ( -3.278 0.000 11.821) 12.267 6.515 ( 3.523 0.000 -12.977) 13.447 6.793 ( -8.491 0.000 -8.519) 12.027 8.321 ( -1.176 0.000 6.323) 6.432 8.503 ( -2.891 0.000 0.370) 2.915 8.824 ( -3.609 0.000 -1.448) 3.888 8.891 ( 2.089 0.000 -2.119) 2.975 9.021 ( 0.457 0.000 0.169) 0.488 9.131 ( -1.030 0.000 -0.261) 1.063 9.398 ( -1.034 0.000 -4.548) 4.664 9.435 ( 3.486 0.000 0.489) 3.520 12.467 ( -6.118 0.000 -1.516) 6.303 12.673 ( 2.155 0.000 2.467) 3.275 12.840 ( -2.212 0.000 -0.390) 2.246 12.851 ( 0.650 0.000 1.678) 1.799 13.393 ( -0.869 0.000 -2.636) 2.776 13.462 ( 2.869 0.000 1.673) 3.321 13.834 ( -3.401 0.000 0.259) 3.411 14.027 ( -1.196 0.000 -1.617) 2.011 14.169 ( -1.906 0.000 3.149) 3.681 14.743 ( 2.654 0.000 -0.367) 2.679 ======================= Grid point 102 (34/192) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 13.151 0.000 8.747) 15.794 1.932 ( 17.902 0.000 9.757) 20.388 2.588 ( -11.247 0.000 -9.467) 14.701 2.872 ( -4.627 0.000 6.764) 8.195 3.160 ( 5.197 0.000 -0.996) 5.291 3.299 ( 1.568 0.000 -0.630) 1.690 3.357 ( -0.131 0.000 -2.159) 2.163 3.594 ( 19.635 0.000 -1.060) 19.664 3.654 ( -1.307 0.000 -2.390) 2.724 4.038 ( 5.022 0.000 2.921) 5.810 4.483 ( -2.533 0.000 3.880) 4.634 4.854 ( -8.590 0.000 5.727) 10.324 5.367 ( 5.505 0.000 0.584) 5.536 5.814 ( 4.073 0.000 2.960) 5.035 5.822 ( 5.321 0.000 -2.338) 5.813 6.357 ( -5.362 0.000 10.513) 11.801 6.420 ( -4.166 0.000 -8.898) 9.825 6.651 ( 3.300 0.000 -11.946) 12.393 8.339 ( -2.255 0.000 5.968) 6.380 8.475 ( -1.016 0.000 1.533) 1.839 8.742 ( -3.277 0.000 -0.861) 3.388 8.878 ( -0.248 0.000 -3.986) 3.994 9.042 ( 1.139 0.000 0.080) 1.142 9.138 ( 0.916 0.000 0.853) 1.252 9.351 ( -0.167 0.000 -3.284) 3.288 9.492 ( 2.053 0.000 -0.018) 2.053 12.344 ( -4.886 0.000 -1.317) 5.060 12.707 ( 0.409 0.000 -1.155) 1.225 12.807 ( -1.323 0.000 1.634) 2.102 12.866 ( -0.241 0.000 1.095) 1.121 13.365 ( 0.226 0.000 -2.464) 2.475 13.521 ( 1.832 0.000 0.936) 2.057 13.776 ( -3.176 0.000 1.758) 3.630 13.993 ( -0.920 0.000 -1.143) 1.467 14.167 ( -1.037 0.000 3.266) 3.427 14.783 ( 1.871 0.000 -0.935) 2.092 ======================= Grid point 103 (35/192) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 8.797 0.000 10.013) 13.328 2.323 ( 15.575 0.000 5.214) 16.424 2.347 ( -4.306 0.000 -4.872) 6.502 2.757 ( -12.959 0.000 6.628) 14.555 3.231 ( 2.312 0.000 -2.218) 3.204 3.312 ( 0.576 0.000 -1.398) 1.512 3.357 ( 1.582 0.000 1.637) 2.276 3.631 ( 0.643 0.000 -2.035) 2.134 3.820 ( 9.221 0.000 -6.315) 11.176 4.159 ( 4.223 0.000 -0.421) 4.244 4.503 ( -0.609 0.000 7.882) 7.905 4.671 ( -15.309 0.000 6.697) 16.710 5.483 ( 5.970 0.000 -1.383) 6.128 5.857 ( -2.402 0.000 0.007) 2.402 5.863 ( 0.524 0.000 -2.604) 2.657 6.300 ( -7.014 0.000 6.000) 9.230 6.329 ( 2.251 0.000 -2.002) 3.013 6.661 ( 7.004 0.000 -13.226) 14.966 8.328 ( -3.313 0.000 4.730) 5.775 8.470 ( -1.038 0.000 1.187) 1.577 8.698 ( -0.834 0.000 0.126) 0.843 8.858 ( 1.631 0.000 -2.456) 2.948 9.054 ( 0.433 0.000 -1.049) 1.135 9.149 ( -0.414 0.000 -0.632) 0.756 9.348 ( 1.516 0.000 -0.642) 1.646 9.513 ( 0.481 0.000 -0.796) 0.930 12.275 ( -1.176 0.000 -0.245) 1.202 12.678 ( -0.694 0.000 -3.963) 4.024 12.813 ( -0.336 0.000 2.809) 2.829 12.866 ( -0.428 0.000 0.843) 0.945 13.365 ( 1.494 0.000 -1.483) 2.105 13.536 ( -0.379 0.000 -1.174) 1.234 13.746 ( -1.865 0.000 2.802) 3.365 13.981 ( 0.310 0.000 -0.046) 0.313 14.179 ( -0.774 0.000 3.869) 3.946 14.796 ( 0.611 0.000 -1.835) 1.934 ======================= Grid point 104 (36/192) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -16.038 0.000 5.235) 16.871 2.452 ( -20.743 0.000 10.581) 23.286 2.620 ( 18.053 0.000 6.830) 19.302 2.631 ( 8.643 0.000 0.429) 8.653 3.205 ( -2.243 0.000 -2.040) 3.032 3.297 ( -0.609 0.000 -2.183) 2.267 3.448 ( 4.110 0.000 4.088) 5.797 3.638 ( 1.642 0.000 -1.736) 2.389 3.907 ( 4.489 0.000 -4.364) 6.261 4.053 ( -18.727 0.000 -2.739) 18.926 4.467 ( -2.919 0.000 -2.059) 3.572 4.579 ( 0.151 0.000 11.209) 11.210 5.546 ( 0.881 0.000 -0.465) 0.997 5.745 ( -5.616 0.000 -4.023) 6.908 5.782 ( -5.959 0.000 -3.789) 7.061 6.224 ( -3.328 0.000 2.050) 3.909 6.473 ( 9.836 0.000 4.362) 10.760 6.686 ( 6.361 0.000 -12.535) 14.057 8.293 ( -3.543 0.000 3.331) 4.863 8.457 ( -0.572 0.000 0.703) 0.906 8.713 ( 2.034 0.000 0.469) 2.087 8.901 ( 3.307 0.000 -0.635) 3.368 9.048 ( -0.065 0.000 -0.774) 0.776 9.110 ( -1.909 0.000 -2.301) 2.990 9.393 ( 2.632 0.000 0.984) 2.810 9.499 ( -0.982 0.000 -1.478) 1.775 12.296 ( 2.877 0.000 0.791) 2.983 12.625 ( -0.934 0.000 -4.967) 5.054 12.833 ( 0.115 0.000 2.369) 2.372 12.864 ( -0.446 0.000 0.788) 0.906 13.399 ( 2.542 0.000 -0.054) 2.543 13.494 ( -1.913 0.000 -2.835) 3.420 13.750 ( -0.159 0.000 2.987) 2.991 14.001 ( 1.292 0.000 0.529) 1.396 14.198 ( -0.984 0.000 4.679) 4.781 14.777 ( -0.596 0.000 -2.661) 2.727 ======================= Grid point 105 (37/192) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -22.792 0.000 7.580) 24.019 2.038 ( -29.133 0.000 10.206) 30.869 2.742 ( -0.569 0.000 1.446) 1.554 2.992 ( 12.611 0.000 6.449) 14.164 3.135 ( -2.540 0.000 -1.453) 2.927 3.256 ( -1.955 0.000 -2.698) 3.332 3.423 ( -38.706 0.000 -1.711) 38.744 3.540 ( 1.150 0.000 4.783) 4.920 3.676 ( 3.768 0.000 -1.523) 4.064 3.942 ( 2.212 0.000 -4.516) 5.029 4.499 ( 8.846 0.000 -9.426) 12.927 4.677 ( -0.298 0.000 12.192) 12.196 5.506 ( -6.440 0.000 4.892) 8.087 5.610 ( -5.081 0.000 -9.665) 10.919 5.619 ( -3.098 0.000 -4.888) 5.787 6.207 ( -0.662 0.000 2.480) 2.567 6.658 ( 3.708 0.000 -4.392) 5.748 6.775 ( 12.772 0.000 -0.037) 12.772 8.254 ( -2.761 0.000 2.593) 3.788 8.480 ( 2.121 0.000 1.742) 2.745 8.772 ( 3.612 0.000 -0.352) 3.629 8.922 ( -1.166 0.000 -1.934) 2.258 9.049 ( 0.291 0.000 1.030) 1.070 9.082 ( 1.761 0.000 -1.575) 2.363 9.453 ( -2.167 0.000 -1.903) 2.884 9.454 ( 2.565 0.000 1.008) 2.756 12.385 ( 5.159 0.000 0.969) 5.249 12.562 ( -1.214 0.000 -5.220) 5.359 12.857 ( 0.691 0.000 1.730) 1.862 12.858 ( -0.938 0.000 0.788) 1.225 13.430 ( -1.934 0.000 -3.016) 3.582 13.455 ( 2.373 0.000 1.430) 2.771 13.785 ( 1.603 0.000 2.079) 2.625 14.032 ( 1.487 0.000 0.195) 1.499 14.217 ( -1.344 0.000 5.400) 5.564 14.735 ( -1.241 0.000 -3.062) 3.304 ======================= Grid point 106 (38/192) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -28.723 0.000 13.145) 31.588 1.495 ( -34.424 0.000 6.177) 34.974 2.331 ( -48.988 0.000 8.395) 49.702 2.888 ( -7.636 0.000 0.533) 7.655 3.035 ( -3.565 0.000 -0.554) 3.608 3.218 ( -1.131 0.000 -2.701) 2.928 3.227 ( 4.609 0.000 1.986) 5.018 3.593 ( 0.661 0.000 5.258) 5.299 3.742 ( 4.183 0.000 -2.521) 4.884 3.931 ( 0.726 0.000 -4.399) 4.458 4.624 ( 12.302 0.000 -11.040) 16.529 4.753 ( -1.421 0.000 10.113) 10.213 5.404 ( -7.566 0.000 4.443) 8.774 5.448 ( -3.655 0.000 -7.917) 8.720 5.549 ( -0.376 0.000 -4.497) 4.513 6.227 ( -0.448 0.000 4.660) 4.681 6.652 ( 2.048 0.000 -7.729) 7.996 7.039 ( 10.746 0.000 3.548) 11.317 8.234 ( -1.437 0.000 2.786) 3.135 8.562 ( 3.997 0.000 2.783) 4.870 8.831 ( 2.999 0.000 -1.455) 3.333 8.853 ( -2.831 0.000 -2.661) 3.885 9.076 ( 0.837 0.000 2.144) 2.301 9.127 ( 3.165 0.000 -1.204) 3.387 9.389 ( -2.675 0.000 -1.958) 3.315 9.501 ( 1.748 0.000 0.125) 1.752 12.498 ( 5.482 0.000 0.649) 5.521 12.502 ( -0.753 0.000 -4.038) 4.108 12.842 ( -1.458 0.000 1.209) 1.894 12.887 ( 1.146 0.000 1.181) 1.645 13.375 ( -1.400 0.000 -2.409) 2.786 13.501 ( 0.567 0.000 2.078) 2.154 13.841 ( 2.878 0.000 0.519) 2.925 14.059 ( 1.361 0.000 -0.377) 1.412 14.232 ( -1.844 0.000 5.690) 5.981 14.687 ( -0.992 0.000 -2.855) 3.022 ======================= Grid point 107 (39/192) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -37.155 0.000 3.065) 37.281 0.895 ( -27.790 0.000 25.963) 38.031 1.510 ( -48.844 0.000 39.049) 62.535 2.809 ( -2.713 0.000 0.346) 2.735 2.972 ( -2.087 0.000 -0.746) 2.216 3.185 ( -0.162 0.000 -1.564) 1.572 3.262 ( -0.779 0.000 0.658) 1.020 3.623 ( -1.244 0.000 1.001) 1.597 3.794 ( 3.353 0.000 -2.627) 4.259 3.909 ( 0.878 0.000 -4.237) 4.327 4.777 ( 12.088 0.000 -10.806) 16.214 4.782 ( -2.770 0.000 6.501) 7.066 5.298 ( -0.679 0.000 -8.473) 8.500 5.363 ( -5.589 0.000 8.848) 10.466 5.525 ( 1.344 0.000 -3.747) 3.980 6.258 ( -1.383 0.000 6.763) 6.903 6.622 ( 1.708 0.000 -8.325) 8.498 7.207 ( 4.297 0.000 0.351) 4.311 8.242 ( -0.572 0.000 3.413) 3.460 8.652 ( 2.223 0.000 1.873) 2.907 8.794 ( -0.996 0.000 -1.695) 1.966 8.865 ( 1.716 0.000 -1.293) 2.149 9.101 ( 0.088 0.000 0.872) 0.877 9.173 ( 2.596 0.000 -1.292) 2.900 9.327 ( -1.799 0.000 -1.694) 2.471 9.520 ( 0.577 0.000 -1.257) 1.384 12.479 ( 0.878 0.000 -1.227) 1.508 12.599 ( 4.230 0.000 0.166) 4.233 12.827 ( -1.134 0.000 1.692) 2.036 12.915 ( 0.706 0.000 0.653) 0.962 13.341 ( -0.315 0.000 -1.406) 1.441 13.508 ( -1.207 0.000 1.302) 1.775 13.895 ( 2.503 0.000 -0.749) 2.613 14.076 ( 0.908 0.000 -0.866) 1.255 14.234 ( -2.618 0.000 5.344) 5.951 14.657 ( 0.102 0.000 -2.114) 2.117 ======================= Grid point 108 (40/192) ======================= q-point: ( 0.00 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 0.005 18.888 22.238) 29.177 1.072 ( 14.221 21.180 29.843) 39.261 1.675 ( -14.381 35.822 34.509) 51.777 2.824 ( -1.207 3.136 0.080) 3.361 2.970 ( 1.158 2.413 -0.163) 2.681 3.173 ( 0.177 -2.449 -0.165) 2.461 3.243 ( 0.029 1.177 1.600) 1.987 3.562 ( -3.673 0.219 -4.193) 5.579 3.773 ( 1.864 -3.131 -3.621) 5.137 3.922 ( 0.802 1.056 -1.796) 2.232 4.693 ( -3.815 -5.144 3.115) 7.122 4.859 ( 6.572 -2.478 -10.093) 12.297 5.256 ( -0.118 -0.237 -1.226) 1.254 5.384 ( 1.538 0.441 6.228) 6.430 5.558 ( 2.827 1.636 -1.986) 3.823 6.293 ( -2.068 0.724 8.191) 8.479 6.602 ( 1.862 1.828 -9.320) 9.678 7.166 ( -2.978 -3.592 -3.920) 6.094 8.241 ( -0.647 -2.044 4.420) 4.912 8.704 ( -2.096 5.776 -0.992) 6.224 8.781 ( 1.906 -1.874 -1.120) 2.898 8.886 ( -0.189 -0.547 -0.288) 0.647 9.020 ( -0.921 -3.986 -0.409) 4.111 9.264 ( -0.277 3.590 -2.118) 4.177 9.272 ( 1.917 -2.519 -0.736) 3.250 9.498 ( -0.609 -0.631 -2.263) 2.427 12.515 ( 2.133 -0.384 1.451) 2.608 12.664 ( 0.032 2.192 -0.798) 2.333 12.808 ( -0.850 0.893 1.761) 2.150 12.905 ( -0.623 -1.494 0.170) 1.627 13.367 ( 1.254 0.985 -1.118) 1.948 13.493 ( -1.724 1.274 -0.279) 2.161 13.894 ( 0.461 -2.367 -0.570) 2.479 14.069 ( 0.013 -0.980 -1.371) 1.685 14.227 ( -2.839 1.146 3.733) 4.828 14.673 ( 1.403 1.251 -1.236) 2.249 ======================= Grid point 109 (41/192) ======================= q-point: ( 0.11 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 12.974 15.958 17.402) 26.941 1.421 ( -0.155 19.271 26.758) 32.976 2.175 ( 29.620 13.783 27.540) 42.729 2.821 ( 1.821 -0.276 -1.313) 2.262 3.010 ( 2.222 3.028 -0.138) 3.759 3.165 ( -1.575 0.466 -0.658) 1.770 3.264 ( 1.033 3.445 0.420) 3.621 3.440 ( -3.154 0.172 -5.570) 6.403 3.759 ( -0.628 -2.106 -2.994) 3.714 3.927 ( 1.456 0.772 -1.891) 2.508 4.622 ( -5.104 -2.585 1.393) 5.888 4.877 ( 3.660 -4.194 -8.016) 9.759 5.238 ( -3.822 -1.728 6.047) 7.359 5.516 ( 8.332 -0.684 0.691) 8.389 5.632 ( 4.891 2.331 0.502) 5.441 6.317 ( -2.937 0.551 9.989) 10.427 6.571 ( 3.616 2.474 -11.086) 11.921 7.004 ( -8.420 -3.101 -6.744) 11.224 8.272 ( -0.272 -1.479 5.457) 5.660 8.628 ( -4.240 5.106 -0.981) 6.709 8.810 ( 1.350 -3.380 -2.263) 4.286 8.877 ( 0.321 -1.072 -0.126) 1.126 9.007 ( -0.151 -0.730 0.430) 0.861 9.217 ( -1.903 2.464 -2.204) 3.815 9.323 ( 2.518 -2.425 -0.113) 3.498 9.463 ( -0.288 0.124 -3.059) 3.075 12.558 ( -1.230 -1.227 1.696) 2.428 12.636 ( -0.063 2.431 -0.097) 2.434 12.829 ( 0.769 1.225 1.952) 2.430 12.882 ( -1.250 -0.514 -0.399) 1.410 13.400 ( 2.194 0.620 0.911) 2.455 13.452 ( -1.505 1.459 -1.547) 2.605 13.878 ( -1.704 -1.465 -0.360) 2.275 14.047 ( -0.920 -1.345 -1.634) 2.307 14.201 ( -2.538 1.342 3.084) 4.213 14.704 ( 2.504 0.934 -0.679) 2.758 ======================= Grid point 110 (42/192) ======================= q-point: ( 0.22 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 16.258 11.965 9.830) 22.452 1.684 ( 8.860 13.311 16.590) 23.042 2.776 ( 6.484 -3.125 10.501) 12.731 2.902 ( -2.709 -0.130 -8.087) 8.530 2.962 ( 8.186 -1.577 0.203) 8.339 3.199 ( 7.155 6.440 1.766) 9.787 3.283 ( 1.684 0.323 -2.491) 3.024 3.419 ( 3.941 3.935 1.806) 5.855 3.707 ( -1.995 -0.716 -2.321) 3.143 3.952 ( 2.248 -0.268 -0.662) 2.359 4.540 ( -3.909 0.248 1.388) 4.155 4.881 ( 0.384 -3.874 -1.543) 4.188 5.226 ( -1.763 -4.979 5.838) 7.873 5.675 ( 7.592 -2.507 -1.732) 8.181 5.738 ( 4.692 2.709 2.184) 5.842 6.342 ( -3.641 -0.263 11.133) 11.716 6.558 ( 3.980 4.175 -11.768) 13.105 6.774 ( -7.728 -1.701 -7.164) 10.675 8.314 ( -0.305 -0.359 5.584) 5.604 8.546 ( -3.666 3.641 0.614) 5.203 8.773 ( -1.900 -3.566 -3.027) 5.049 8.910 ( 2.290 0.622 -1.153) 2.638 9.022 ( 0.905 0.919 1.013) 1.639 9.163 ( -1.804 2.428 -1.042) 3.200 9.340 ( 0.170 -4.143 -2.545) 4.865 9.463 ( 1.962 1.055 -0.832) 2.378 12.479 ( -5.209 1.186 -0.981) 5.431 12.680 ( 2.052 0.638 1.193) 2.458 12.828 ( -2.053 -0.483 1.087) 2.373 12.881 ( 0.911 2.124 0.485) 2.361 13.402 ( -1.004 0.952 -2.256) 2.647 13.470 ( 2.719 0.828 1.693) 3.308 13.827 ( -3.319 -0.769 0.387) 3.428 14.012 ( -1.133 -1.478 -1.682) 2.509 14.183 ( -1.739 1.496 2.907) 3.704 14.752 ( 2.762 0.809 -0.612) 2.943 ======================= Grid point 111 (43/192) ======================= q-point: ( 0.33 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 14.163 8.127 3.194) 16.639 2.027 ( 15.493 8.308 9.480) 19.973 2.628 ( -10.662 4.128 -8.742) 14.392 2.857 ( -2.455 -1.156 6.531) 7.072 3.137 ( 5.369 -2.947 1.142) 6.230 3.280 ( 0.217 -2.580 -2.770) 3.791 3.307 ( 3.249 -1.941 -1.957) 4.261 3.575 ( 3.272 -2.777 -0.574) 4.330 3.709 ( 7.208 4.427 -2.612) 8.853 4.010 ( 3.506 -2.800 1.661) 4.784 4.505 ( -1.514 1.835 2.943) 3.784 4.839 ( -7.685 -0.999 7.210) 10.585 5.289 ( 5.230 -6.833 1.350) 8.710 5.765 ( 3.796 -5.681 -3.097) 7.501 5.836 ( 2.501 1.480 2.683) 3.955 6.341 ( -5.447 -1.506 9.311) 10.891 6.471 ( -3.983 4.789 -6.562) 9.048 6.682 ( 4.989 3.120 -10.153) 11.735 8.342 ( -1.199 0.698 4.215) 4.437 8.503 ( -2.281 1.964 2.493) 3.909 8.720 ( -0.968 -0.904 -1.914) 2.328 8.911 ( -0.245 2.390 -3.195) 3.998 9.049 ( 1.136 1.007 0.217) 1.534 9.148 ( 0.283 0.885 0.404) 1.013 9.316 ( 0.215 -3.231 -2.484) 4.081 9.499 ( 1.584 0.303 -0.081) 1.615 12.376 ( -4.084 3.210 -1.017) 5.293 12.703 ( 0.472 -0.192 -1.890) 1.958 12.806 ( -1.314 0.096 2.471) 2.800 12.896 ( 0.093 2.692 0.551) 2.750 13.373 ( 0.003 0.761 -2.183) 2.312 13.530 ( 1.847 0.898 1.097) 2.328 13.769 ( -3.177 -0.783 1.578) 3.633 13.980 ( -0.718 -1.242 -1.350) 1.970 14.182 ( -1.065 1.490 3.275) 3.753 14.793 ( 2.048 0.944 -1.115) 2.516 ======================= Grid point 112 (44/192) ======================= q-point: ( 0.44 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 12.703 4.977 3.624) 14.117 2.383 ( -1.812 4.160 -3.576) 5.777 2.400 ( 9.331 6.005 5.134) 12.226 2.786 ( -11.315 3.545 7.939) 14.270 3.224 ( 1.321 -0.799 -2.185) 2.675 3.263 ( 1.425 -4.841 1.569) 5.285 3.339 ( 2.048 -1.758 -1.337) 3.012 3.574 ( 0.216 -5.117 -2.000) 5.498 3.822 ( 6.407 -0.298 -5.453) 8.419 4.092 ( 3.327 -6.157 -0.834) 7.048 4.520 ( -0.443 0.255 4.303) 4.333 4.695 ( -13.709 3.338 9.382) 16.944 5.419 ( 6.904 -5.692 -1.001) 9.004 5.766 ( -1.990 -8.566 -2.567) 9.161 5.850 ( -1.786 -1.418 -0.236) 2.293 6.292 ( -5.647 -0.629 5.822) 8.135 6.400 ( 1.321 6.380 -1.377) 6.660 6.716 ( 6.390 4.956 -11.108) 13.740 8.332 ( -2.485 0.802 2.251) 3.448 8.487 ( -1.731 1.125 2.622) 3.337 8.711 ( 0.646 1.826 -0.262) 1.955 8.886 ( 1.019 2.544 -2.338) 3.602 9.060 ( 0.357 0.633 -1.374) 1.555 9.151 ( -0.462 0.120 -0.814) 0.944 9.323 ( 1.530 -2.348 0.038) 2.803 9.514 ( 0.281 -0.094 -0.634) 0.700 12.320 ( -0.928 4.489 -0.057) 4.585 12.678 ( -0.259 0.167 -3.866) 3.879 12.812 ( -0.654 0.080 2.980) 3.052 12.896 ( -0.286 2.786 0.357) 2.824 13.371 ( 1.305 0.575 -1.222) 1.878 13.545 ( -0.424 0.991 -1.045) 1.501 13.738 ( -1.720 -0.784 2.652) 3.257 13.969 ( 0.434 -1.146 -0.387) 1.285 14.194 ( -0.822 1.457 3.976) 4.313 14.808 ( 0.747 1.147 -1.958) 2.389 ======================= Grid point 113 (45/192) ======================= q-point: (-0.44 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -15.108 7.529 2.492) 17.064 2.540 ( -12.824 6.583 6.954) 16.005 2.567 ( 8.496 -2.635 0.841) 8.935 2.721 ( 11.722 7.658 8.388) 16.322 3.168 ( -3.690 -3.613 -1.385) 5.347 3.295 ( 0.075 -0.454 -2.199) 2.246 3.417 ( 4.651 -3.046 3.858) 6.767 3.563 ( 0.378 -6.531 -2.622) 7.048 3.882 ( 3.470 -2.580 -3.522) 5.577 4.043 ( -9.965 -2.347 -3.120) 10.702 4.480 ( -5.043 1.590 0.154) 5.290 4.593 ( -1.868 2.064 9.584) 9.980 5.487 ( -1.006 -5.042 0.346) 5.153 5.662 ( -3.287 -8.336 -5.724) 10.633 5.788 ( -3.561 0.029 -2.048) 4.108 6.230 ( -3.477 0.597 2.772) 4.487 6.506 ( 7.968 3.191 3.094) 9.124 6.734 ( 4.603 4.406 -10.520) 12.299 8.291 ( -2.956 0.461 1.275) 3.252 8.480 ( -0.515 1.590 1.717) 2.396 8.734 ( 1.772 2.434 0.491) 3.050 8.920 ( 3.100 1.838 -0.823) 3.697 9.045 ( -0.672 -0.053 -1.422) 1.574 9.115 ( -1.208 0.407 -2.188) 2.532 9.366 ( 1.924 -2.372 1.423) 3.370 9.501 ( -0.718 -0.052 -1.230) 1.425 12.340 ( 2.374 4.301 0.917) 4.997 12.637 ( -0.352 1.314 -4.830) 5.018 12.823 ( -0.614 -0.528 2.663) 2.783 12.895 ( -0.111 2.572 0.257) 2.587 13.402 ( 2.269 0.390 0.090) 2.304 13.503 ( -1.942 0.954 -2.604) 3.386 13.744 ( -0.030 -0.582 2.784) 2.844 13.988 ( 1.323 -1.293 0.261) 1.868 14.212 ( -0.961 1.516 4.726) 5.055 14.791 ( -0.531 1.263 -2.737) 3.061 ======================= Grid point 114 (46/192) ======================= q-point: (-0.33 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -22.080 7.365 3.818) 23.587 2.173 ( -25.607 10.772 6.442) 28.518 2.720 ( 0.584 -1.950 1.130) 2.328 3.015 ( 8.162 2.128 5.925) 10.308 3.075 ( -3.060 -3.212 0.048) 4.436 3.255 ( -2.215 -0.297 -2.843) 3.616 3.485 ( -14.380 1.260 -1.908) 14.560 3.516 ( -0.301 -1.431 5.619) 5.806 3.691 ( -8.473 3.335 -0.734) 9.136 3.926 ( 2.165 -1.661 -3.667) 4.571 4.490 ( 7.931 -0.174 -7.708) 11.061 4.653 ( -1.281 -2.376 10.286) 10.634 5.409 ( -6.525 -6.737 4.136) 10.250 5.557 ( -1.775 -4.811 -10.775) 11.933 5.698 ( -3.563 4.115 -1.972) 5.790 6.213 ( -0.747 0.777 2.517) 2.738 6.698 ( 3.915 3.320 -1.189) 5.269 6.758 ( 9.932 -1.178 -2.501) 10.310 8.246 ( -2.654 -0.207 1.503) 3.057 8.510 ( 2.418 2.178 1.690) 3.667 8.786 ( 2.982 1.782 0.261) 3.484 8.938 ( -1.607 1.478 -1.918) 2.906 9.017 ( -0.073 -2.037 -0.631) 2.134 9.114 ( 2.522 2.107 -0.718) 3.364 9.396 ( -0.434 -3.425 0.389) 3.475 9.482 ( 0.325 0.553 -0.676) 0.932 12.413 ( 3.897 2.585 0.963) 4.775 12.587 ( -0.441 2.763 -4.933) 5.671 12.834 ( -0.211 -0.976 2.013) 2.247 12.893 ( -0.370 2.139 0.310) 2.193 13.428 ( -1.146 0.114 -2.131) 2.423 13.467 ( 1.349 0.920 0.816) 1.825 13.778 ( 1.505 -0.714 1.817) 2.465 14.018 ( 1.514 -1.417 0.149) 2.079 14.232 ( -1.289 1.572 5.214) 5.596 14.748 ( -1.204 1.314 -3.065) 3.546 ======================= Grid point 115 (47/192) ======================= q-point: (-0.22 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -26.522 8.761 7.539) 28.931 1.638 ( -32.042 10.618 -1.799) 33.803 2.487 ( -31.599 13.352 10.732) 35.944 2.927 ( -6.369 4.260 1.946) 7.905 3.070 ( -7.820 3.706 0.094) 8.654 3.208 ( 1.093 -1.067 0.497) 1.606 3.254 ( -1.391 3.513 -1.373) 4.020 3.567 ( 1.388 -2.917 5.241) 6.156 3.706 ( 4.028 -2.698 -2.856) 5.627 3.928 ( 0.834 -0.686 -2.706) 2.913 4.617 ( 11.927 -0.490 -10.014) 15.582 4.698 ( -1.797 -5.381 8.175) 9.951 5.348 ( -4.555 -4.088 7.399) 9.602 5.419 ( -2.530 -2.349 -11.429) 11.939 5.618 ( -2.724 4.473 -2.526) 5.814 6.232 ( -0.286 0.625 4.193) 4.249 6.683 ( 1.165 2.976 -7.005) 7.700 7.001 ( 10.402 -3.765 3.559) 11.621 8.219 ( -1.631 -1.190 2.450) 3.174 8.596 ( 4.490 2.480 1.871) 5.460 8.837 ( 1.397 1.184 -0.841) 2.015 8.866 ( -1.895 0.980 -2.235) 3.090 9.027 ( 0.315 -2.978 0.981) 3.151 9.172 ( 3.441 2.761 -0.719) 4.470 9.358 ( -2.370 -2.841 -1.221) 3.896 9.501 ( 1.207 -0.268 0.008) 1.237 12.475 ( 1.556 -0.385 -1.325) 2.080 12.568 ( 2.473 4.694 -1.816) 5.608 12.842 ( -0.675 -0.110 1.360) 1.522 12.890 ( -0.033 0.427 0.621) 0.754 13.380 ( -1.076 0.500 -2.232) 2.528 13.507 ( 0.602 0.581 2.052) 2.216 13.827 ( 2.441 -1.410 0.427) 2.852 14.047 ( 1.464 -1.302 -0.278) 1.978 14.245 ( -1.765 1.437 5.165) 5.644 14.702 ( -0.963 1.396 -2.768) 3.247 ======================= Grid point 116 (48/192) ======================= q-point: (-0.11 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -23.571 13.837 10.984) 29.457 0.994 ( -24.953 19.806 6.138) 32.443 1.945 ( -35.764 33.662 28.891) 56.981 2.859 ( -3.101 5.376 1.574) 6.403 2.981 ( -1.953 0.998 -0.968) 2.397 3.184 ( -0.892 -0.963 -1.222) 1.794 3.243 ( -0.852 -0.911 0.665) 1.413 3.617 ( -0.542 -1.257 1.773) 2.240 3.751 ( 3.592 -3.111 -4.211) 6.349 3.922 ( 0.683 0.484 -1.955) 2.126 4.714 ( -1.989 -6.305 5.288) 8.466 4.768 ( 11.023 -0.974 -10.034) 14.938 5.299 ( -0.559 -0.814 -9.164) 9.217 5.343 ( -3.273 -0.757 9.568) 10.141 5.560 ( -0.691 2.764 -2.858) 4.036 6.264 ( -1.005 0.598 6.198) 6.308 6.644 ( 1.088 2.149 -7.746) 8.112 7.167 ( 4.409 -3.911 0.374) 5.905 8.222 ( -0.745 -1.927 3.492) 4.057 8.690 ( 3.364 2.976 0.851) 4.571 8.792 ( -1.546 0.309 -2.006) 2.551 8.879 ( 1.212 1.229 -0.368) 1.765 9.033 ( -0.380 -4.538 0.492) 4.581 9.225 ( 2.853 2.491 -1.309) 4.007 9.305 ( -1.611 -1.631 -1.576) 2.782 9.514 ( 0.337 -0.669 -0.866) 1.145 12.479 ( 1.170 -0.126 -1.050) 1.577 12.630 ( 3.351 3.127 -0.076) 4.584 12.827 ( -1.775 0.527 1.345) 2.289 12.901 ( 0.371 -1.358 0.638) 1.546 13.360 ( 0.655 0.919 -1.780) 2.108 13.517 ( -0.975 0.879 1.248) 1.812 13.872 ( 2.037 -2.297 -0.386) 3.094 14.067 ( 1.026 -1.012 -0.839) 1.668 14.245 ( -2.399 1.190 4.554) 5.283 14.672 ( 0.051 1.439 -2.033) 2.491 ======================= Grid point 117 (49/192) ======================= q-point: ( 0.00 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 4.105 25.756 11.772) 28.614 1.588 ( 8.743 30.527 12.488) 34.122 2.314 ( -9.136 28.010 11.745) 31.717 2.884 ( -4.424 2.538 -1.057) 5.209 3.058 ( 1.573 5.873 0.641) 6.114 3.122 ( -0.053 -1.243 2.424) 2.724 3.301 ( 1.401 5.480 3.529) 6.667 3.551 ( -3.034 -1.191 -1.553) 3.610 3.730 ( 1.778 -0.976 -3.134) 3.733 3.922 ( 0.425 -1.208 0.051) 1.282 4.573 ( -1.757 -6.657 3.837) 7.882 4.804 ( 3.944 -2.761 -9.255) 10.433 5.246 ( -1.521 -0.838 2.117) 2.738 5.394 ( 2.669 0.471 2.624) 3.773 5.598 ( 2.233 2.365 -0.645) 3.316 6.302 ( -1.586 -0.053 6.685) 6.870 6.648 ( 1.415 2.779 -7.698) 8.306 7.076 ( -2.691 -5.524 -3.302) 6.976 8.199 ( -0.289 -1.826 4.295) 4.676 8.705 ( 1.382 -6.467 -2.395) 7.034 8.820 ( 1.110 2.083 -1.802) 2.970 8.864 ( -4.053 2.673 -1.100) 4.978 9.000 ( 1.206 1.566 1.466) 2.461 9.197 ( 0.025 -4.306 -0.625) 4.351 9.331 ( 1.132 2.728 -1.678) 3.397 9.475 ( -1.080 -1.760 -1.008) 2.298 12.509 ( 1.476 0.045 1.613) 2.187 12.711 ( -0.688 2.344 -1.054) 2.660 12.839 ( 0.374 2.061 0.488) 2.151 12.862 ( -0.342 -2.781 0.523) 2.850 13.381 ( 1.180 0.872 -0.038) 1.468 13.527 ( -1.339 2.231 -0.293) 2.619 13.834 ( 0.552 -3.698 0.651) 3.795 14.036 ( -0.220 -2.477 -1.282) 2.798 14.265 ( -2.105 2.805 2.290) 4.188 14.696 ( 1.125 0.825 -1.482) 2.035 ======================= Grid point 118 (50/192) ======================= q-point: ( 0.11 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 13.361 23.963 6.361) 28.164 1.795 ( -1.481 19.779 18.907) 27.402 2.494 ( 14.999 17.548 9.311) 24.892 2.813 ( -0.161 -0.589 -3.663) 3.714 3.079 ( 0.009 4.203 -1.072) 4.338 3.172 ( 2.519 0.441 3.229) 4.119 3.380 ( 3.100 7.436 3.870) 8.938 3.438 ( -5.137 -0.008 -4.662) 6.937 3.727 ( -0.237 -0.812 -1.598) 1.808 3.928 ( 0.362 -0.859 -0.150) 0.945 4.565 ( -2.054 -2.696 3.703) 5.019 4.787 ( 2.642 -4.338 -8.312) 9.742 5.198 ( -7.398 -2.277 8.527) 11.516 5.504 ( 7.545 -0.751 -2.287) 7.920 5.675 ( 4.531 2.030 1.882) 5.310 6.321 ( -2.875 -0.608 8.446) 8.942 6.633 ( 4.246 3.789 -9.059) 10.699 6.930 ( -7.905 -4.385 -5.144) 10.401 8.246 ( 1.190 -0.819 5.143) 5.342 8.669 ( -3.924 -5.023 -1.051) 6.460 8.790 ( 0.012 5.281 -4.493) 6.933 8.849 ( 2.312 -1.413 -0.538) 2.763 9.032 ( 0.891 2.723 1.725) 3.344 9.197 ( 0.588 -4.029 -1.272) 4.266 9.321 ( -1.467 1.800 -0.687) 2.422 9.449 ( 0.170 -1.683 -1.720) 2.413 12.543 ( -0.579 -0.308 2.104) 2.204 12.681 ( -0.060 2.190 -1.342) 2.569 12.843 ( -1.206 -0.641 0.818) 1.592 12.880 ( 2.094 0.976 0.196) 2.319 13.419 ( 2.068 1.455 1.436) 2.908 13.488 ( -1.711 2.306 -1.299) 3.152 13.839 ( -0.885 -2.483 0.825) 2.763 14.008 ( -1.227 -2.683 -1.663) 3.387 14.242 ( -1.922 2.916 1.969) 4.009 14.720 ( 2.425 0.403 -1.208) 2.739 ======================= Grid point 119 (51/192) ======================= q-point: ( 0.22 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 13.141 18.441 2.289) 22.760 1.955 ( 6.156 14.177 11.024) 18.985 2.753 ( 2.625 0.794 6.487) 7.043 2.880 ( 9.406 -0.818 -4.997) 10.682 2.995 ( -5.133 4.520 -5.270) 8.635 3.246 ( 2.176 -0.379 0.799) 2.349 3.311 ( -2.091 1.700 -4.205) 4.995 3.487 ( 2.890 1.306 2.681) 4.153 3.712 ( 0.765 1.557 0.026) 1.735 3.934 ( 0.258 -1.751 -0.203) 1.782 4.552 ( -1.055 0.843 -0.094) 1.354 4.808 ( 2.506 -2.020 1.963) 3.770 5.129 ( -6.058 -4.650 8.685) 11.566 5.604 ( 4.732 -4.843 -4.018) 7.874 5.783 ( 4.029 1.635 2.891) 5.222 6.325 ( -4.326 -1.825 9.220) 10.346 6.658 ( 4.084 5.695 -8.838) 11.280 6.740 ( -4.854 -1.537 -4.385) 6.720 8.321 ( 2.013 1.424 4.715) 5.321 8.573 ( -4.819 -2.271 0.470) 5.348 8.761 ( 0.581 3.605 -4.262) 5.612 8.905 ( 3.676 -0.861 -1.471) 4.052 9.065 ( 1.027 3.208 1.572) 3.717 9.189 ( -0.495 -0.954 -1.477) 1.827 9.271 ( -2.094 -1.960 -1.194) 3.107 9.462 ( 1.622 -1.132 -0.206) 1.989 12.509 ( -3.044 1.913 0.262) 3.605 12.697 ( 1.679 1.082 -1.012) 2.239 12.823 ( -1.446 0.011 1.276) 1.929 12.923 ( 1.922 2.174 0.385) 2.928 13.431 ( -1.476 2.060 -1.636) 3.017 13.493 ( 2.583 1.679 2.016) 3.682 13.806 ( -3.016 -1.442 0.487) 3.378 13.973 ( -0.811 -2.499 -1.640) 3.098 14.226 ( -1.511 2.891 2.315) 4.000 14.765 ( 3.034 0.274 -1.119) 3.245 ======================= Grid point 120 (52/192) ======================= q-point: ( 0.33 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 11.519 11.730 -4.928) 17.163 2.193 ( 11.975 8.023 6.968) 16.010 2.744 ( -9.040 7.824 -6.582) 13.647 2.846 ( 2.503 0.492 5.216) 5.806 3.059 ( 5.872 -3.683 0.557) 6.953 3.233 ( -0.615 -2.782 -4.563) 5.380 3.294 ( 0.760 0.344 -1.033) 1.327 3.495 ( -1.798 -5.235 0.014) 5.535 3.770 ( 4.018 1.302 -1.700) 4.553 3.934 ( 0.035 -4.991 0.239) 4.997 4.520 ( -0.914 -0.939 -2.689) 2.992 4.858 ( -5.874 4.058 13.813) 15.549 5.155 ( 4.609 -6.231 2.786) 8.236 5.620 ( 0.890 -9.030 -4.559) 10.155 5.848 ( -0.502 -0.411 2.791) 2.866 6.302 ( -5.009 -2.660 8.004) 9.810 6.573 ( -2.997 5.236 -2.898) 6.693 6.762 ( 7.019 4.919 -7.740) 11.548 8.379 ( 0.644 3.315 1.519) 3.703 8.511 ( -2.814 -1.120 3.129) 4.355 8.752 ( 1.462 4.175 -2.398) 5.032 8.942 ( 1.755 0.599 -3.429) 3.898 9.088 ( 0.498 2.901 -0.110) 2.946 9.164 ( -0.769 0.574 -0.181) 0.977 9.246 ( 0.359 -3.647 -0.444) 3.691 9.491 ( 0.987 -1.212 0.457) 1.629 12.457 ( -2.139 4.917 -0.057) 5.362 12.705 ( 0.585 0.393 -2.467) 2.566 12.816 ( -0.706 1.024 1.969) 2.329 12.953 ( 0.696 3.010 0.446) 3.122 13.394 ( -0.628 1.460 -1.608) 2.261 13.557 ( 1.921 2.013 1.477) 3.150 13.747 ( -3.120 -1.513 0.987) 3.606 13.950 ( -0.262 -1.859 -1.599) 2.466 14.223 ( -1.076 2.802 3.157) 4.356 14.810 ( 2.479 0.527 -1.438) 2.914 ======================= Grid point 121 (53/192) ======================= q-point: ( 0.44 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 11.421 2.591 -5.718) 13.032 2.474 ( 10.095 2.759 1.379) 10.556 2.550 ( -6.583 11.878 0.953) 13.613 2.901 ( -2.608 7.774 7.110) 10.853 3.148 ( -0.598 -5.766 1.916) 6.106 3.203 ( 3.202 -2.057 -0.563) 3.847 3.291 ( 1.197 -3.152 -4.318) 5.478 3.464 ( -0.391 -5.905 -1.940) 6.228 3.803 ( 1.765 -1.474 -2.744) 3.581 3.948 ( 1.402 -8.569 -0.841) 8.723 4.483 ( -1.362 -3.445 -0.425) 3.729 4.810 ( -9.730 8.056 13.542) 18.520 5.303 ( 7.859 -5.798 -0.068) 9.766 5.571 ( -3.372 -10.934 -2.322) 11.675 5.807 ( -3.606 -3.079 -0.517) 4.770 6.269 ( -4.722 -2.024 6.707) 8.449 6.539 ( 1.156 7.533 -1.388) 7.746 6.819 ( 5.077 5.332 -7.914) 10.809 8.370 ( -1.024 3.042 -1.341) 3.478 8.503 ( -1.767 0.970 3.911) 4.399 8.776 ( 1.903 4.750 -0.457) 5.137 8.934 ( 1.299 1.938 -3.428) 4.147 9.082 ( 0.004 1.689 -2.020) 2.633 9.149 ( -0.754 -0.372 -1.179) 1.448 9.273 ( 1.377 -2.411 2.109) 3.487 9.501 ( -0.185 -1.385 0.013) 1.397 12.432 ( -0.510 6.704 0.489) 6.741 12.691 ( 0.678 1.335 -3.141) 3.480 12.820 ( -0.695 0.840 1.886) 2.178 12.958 ( -0.291 3.393 0.150) 3.409 13.387 ( 0.867 1.059 -0.615) 1.501 13.574 ( -0.626 1.977 -0.960) 2.285 13.717 ( -1.221 -1.315 2.399) 2.996 13.941 ( 0.598 -1.740 -1.089) 2.138 14.234 ( -0.831 2.819 4.105) 5.049 14.831 ( 1.063 0.905 -2.109) 2.529 ======================= Grid point 122 (54/192) ======================= q-point: (-0.44 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -12.343 7.098 -0.793) 14.260 2.531 ( 7.627 0.161 -2.228) 7.947 2.633 ( -1.704 3.729 2.276) 4.690 2.925 ( 2.034 11.721 8.791) 14.792 3.093 ( -3.677 -3.063 0.591) 4.822 3.261 ( 0.749 -3.784 -3.963) 5.530 3.347 ( 6.901 -3.800 2.996) 8.429 3.439 ( -0.357 -5.387 -2.666) 6.021 3.820 ( 1.995 -3.414 -1.784) 4.338 3.947 ( -0.833 -7.107 -3.033) 7.771 4.468 ( -0.393 -3.156 1.312) 3.440 4.724 ( -9.221 11.518 11.012) 18.411 5.384 ( -4.321 -5.471 2.656) 7.461 5.474 ( 0.626 -10.115 -6.092) 11.825 5.750 ( -0.385 -4.212 -2.687) 5.011 6.235 ( -3.068 -0.484 4.599) 5.550 6.585 ( 3.766 4.861 0.782) 6.198 6.826 ( 2.294 4.699 -7.428) 9.084 8.330 ( -1.866 3.737 -1.685) 4.504 8.498 ( -0.898 0.523 2.451) 2.662 8.808 ( 1.525 5.039 0.582) 5.297 8.954 ( 2.959 1.090 -2.745) 4.181 9.056 ( -2.009 1.347 -1.499) 2.846 9.119 ( 0.361 -0.043 -2.245) 2.274 9.317 ( 0.709 -2.461 2.766) 3.770 9.488 ( -0.792 -1.455 -0.581) 1.756 12.442 ( 0.752 5.809 1.008) 5.944 12.682 ( 1.264 3.618 -3.953) 5.506 12.817 ( -1.268 -0.096 2.232) 2.569 12.951 ( -0.397 3.053 -0.212) 3.086 13.415 ( 1.912 0.984 0.589) 2.229 13.528 ( -2.211 1.594 -2.372) 3.613 13.730 ( 0.316 -0.757 2.357) 2.495 13.954 ( 1.263 -2.151 -0.383) 2.523 14.255 ( -0.855 2.967 4.804) 5.710 14.817 ( -0.423 1.150 -2.751) 3.012 ======================= Grid point 123 (55/192) ======================= q-point: (-0.33 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -18.598 10.183 -0.689) 21.215 2.349 ( -19.754 7.019 -1.263) 21.002 2.693 ( 3.335 0.198 0.038) 3.341 3.044 ( -1.770 1.692 0.280) 2.465 3.097 ( 6.058 4.238 6.348) 9.744 3.235 ( -0.313 -2.295 -3.619) 4.297 3.407 ( -0.862 -5.165 -0.004) 5.236 3.509 ( 5.520 -1.168 3.534) 6.657 3.783 ( -10.093 3.101 1.083) 10.614 3.882 ( 0.996 -2.563 -3.568) 4.505 4.502 ( 4.344 -1.112 -1.501) 4.729 4.639 ( -7.071 5.431 7.696) 11.778 5.286 ( -5.593 -5.896 6.278) 10.269 5.442 ( 1.081 -6.817 -10.875) 12.880 5.730 ( -0.685 -1.127 -2.083) 2.465 6.232 ( -0.835 0.727 3.414) 3.589 6.709 ( 7.526 -1.207 3.303) 8.307 6.796 ( 0.534 4.041 -6.281) 7.488 8.268 ( -3.281 2.919 -0.613) 4.434 8.528 ( 2.485 -0.514 1.366) 2.882 8.852 ( 2.211 4.883 1.044) 5.461 8.969 ( -3.752 1.289 -2.028) 4.455 8.982 ( 1.266 -1.432 -2.741) 3.342 9.153 ( 3.398 2.013 -0.340) 3.964 9.330 ( -1.497 -3.315 1.737) 4.031 9.474 ( 0.066 -1.381 -0.278) 1.411 12.469 ( 1.063 3.049 0.555) 3.276 12.671 ( 0.907 5.840 -3.793) 7.023 12.817 ( -0.483 -0.882 2.348) 2.555 12.936 ( -0.934 2.286 -0.436) 2.507 13.442 ( -0.963 1.441 -1.509) 2.298 13.484 ( 0.641 0.800 0.582) 1.179 13.761 ( 1.227 -0.950 1.220) 1.974 13.979 ( 1.445 -2.593 -0.040) 2.969 14.276 ( -1.141 3.089 4.895) 5.899 14.776 ( -1.209 1.238 -2.933) 3.406 ======================= Grid point 124 (56/192) ======================= q-point: (-0.22 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -18.487 13.953 -1.021) 23.184 1.882 ( -23.258 15.977 -5.063) 28.668 2.701 ( -5.032 7.953 4.543) 10.450 3.021 ( -0.758 3.881 0.135) 3.957 3.145 ( -6.347 2.138 2.147) 7.033 3.189 ( -2.061 -0.132 -0.916) 2.259 3.387 ( -5.604 5.510 0.189) 7.861 3.530 ( -3.985 4.957 6.517) 9.106 3.665 ( 2.768 -1.539 -0.630) 3.229 3.893 ( 1.405 -3.082 -1.573) 3.735 4.568 ( -1.407 -7.058 3.661) 8.075 4.633 ( 7.325 2.762 -4.000) 8.791 5.280 ( -2.758 -2.989 8.792) 9.687 5.356 ( 0.370 -4.170 -10.732) 11.520 5.677 ( -2.577 1.372 -2.475) 3.828 6.250 ( -0.385 0.936 3.704) 3.840 6.749 ( -0.355 3.442 -5.551) 6.541 6.910 ( 9.156 -5.229 3.474) 11.102 8.209 ( -2.805 0.589 1.250) 3.127 8.605 ( 4.299 -1.956 0.205) 4.728 8.875 ( -3.216 0.225 -2.205) 3.906 8.903 ( 1.957 4.673 1.036) 5.171 8.988 ( 0.264 -0.686 -1.024) 1.260 9.210 ( 1.828 0.664 -0.270) 1.963 9.302 ( -1.016 -2.073 -0.003) 2.308 9.484 ( 0.555 -1.622 0.415) 1.764 12.482 ( 0.337 1.102 -0.839) 1.426 12.670 ( 1.522 5.605 -1.442) 5.984 12.834 ( 0.310 -0.741 1.694) 1.875 12.906 ( -1.755 1.158 -0.481) 2.157 13.394 ( -1.248 1.098 -1.968) 2.576 13.521 ( 0.955 0.918 1.861) 2.284 13.792 ( 1.317 -2.069 0.124) 2.456 14.009 ( 1.604 -2.663 -0.093) 3.111 14.288 ( -1.590 2.992 4.218) 5.410 14.730 ( -1.013 1.267 -2.521) 2.998 ======================= Grid point 125 (57/192) ======================= q-point: (-0.11 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -10.107 21.784 4.452) 24.424 1.508 ( -8.984 30.539 -0.371) 31.835 2.532 ( -17.877 23.618 10.128) 31.305 2.992 ( -8.202 4.965 3.229) 10.117 3.024 ( 1.058 4.342 0.208) 4.474 3.138 ( -2.480 -0.775 0.435) 2.634 3.288 ( -2.464 6.349 1.038) 6.889 3.571 ( 0.569 -2.455 2.382) 3.467 3.711 ( 2.773 -1.007 -2.737) 4.025 3.909 ( 0.987 -2.123 -0.351) 2.368 4.569 ( -1.313 -8.015 4.012) 9.059 4.755 ( 8.260 0.085 -7.236) 10.982 5.257 ( 0.353 -2.829 -5.129) 5.868 5.346 ( -0.836 0.244 6.487) 6.545 5.610 ( -1.672 2.232 -2.426) 3.696 6.276 ( -0.650 0.416 4.945) 5.004 6.695 ( -0.159 2.829 -6.185) 6.803 7.069 ( 4.570 -5.996 0.505) 7.555 8.186 ( -1.445 -1.315 3.057) 3.628 8.677 ( 3.339 -4.532 -1.825) 5.918 8.822 ( -0.583 0.798 -1.325) 1.653 8.933 ( -1.233 5.546 1.388) 5.849 8.972 ( 0.082 -1.485 -0.810) 1.693 9.209 ( -0.762 -3.454 -0.327) 3.553 9.313 ( 1.930 1.999 -1.505) 3.160 9.491 ( -0.172 -1.695 0.142) 1.710 12.482 ( 0.649 0.621 -0.328) 0.956 12.701 ( 1.821 3.771 -0.251) 4.195 12.847 ( -0.461 0.882 0.848) 1.307 12.868 ( -1.323 -1.559 -0.021) 2.045 13.372 ( 0.221 0.726 -1.129) 1.360 13.540 ( -0.291 1.596 1.036) 1.924 13.815 ( 1.002 -3.481 0.063) 3.623 14.034 ( 1.147 -2.484 -0.613) 2.804 14.283 ( -1.972 2.800 3.147) 4.651 14.700 ( -0.132 1.171 -1.903) 2.239 ======================= Grid point 126 (58/192) ======================= q-point: ( 0.00 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 3.524 22.841 9.335) 24.925 2.143 ( 3.640 26.051 6.786) 27.165 2.649 ( -2.430 6.766 -2.088) 7.486 2.944 ( -5.962 3.817 0.203) 7.082 3.096 ( 2.569 1.241 2.552) 3.828 3.207 ( -0.137 6.634 -1.552) 6.814 3.407 ( 0.118 1.752 2.249) 2.853 3.575 ( -1.885 5.194 -2.134) 5.923 3.738 ( 0.754 1.750 -0.345) 1.936 3.876 ( 1.540 -3.097 0.389) 3.481 4.476 ( 0.995 -2.481 3.950) 4.769 4.778 ( 0.233 0.598 -4.975) 5.016 5.233 ( -3.920 -0.121 6.620) 7.695 5.402 ( 5.464 0.610 -2.131) 5.897 5.642 ( 0.872 2.145 1.099) 2.563 6.277 ( -1.836 -2.927 5.232) 6.270 6.700 ( 1.008 2.410 -5.354) 5.957 6.964 ( -2.301 -5.940 -2.241) 6.753 8.189 ( 0.369 1.086 2.960) 3.174 8.565 ( 0.475 -7.060 -1.414) 7.216 8.794 ( 0.533 -2.261 -1.206) 2.617 8.952 ( 0.219 3.070 -3.928) 4.991 9.032 ( 0.559 -0.623 0.967) 1.279 9.139 ( -0.872 0.256 0.863) 1.253 9.372 ( 0.858 1.565 -1.302) 2.209 9.439 ( -2.085 -1.603 0.396) 2.660 12.521 ( 0.742 1.168 1.580) 2.100 12.748 ( -1.567 1.442 -1.268) 2.478 12.803 ( 0.621 -3.014 0.633) 3.141 12.875 ( 0.578 1.372 -0.418) 1.546 13.409 ( 1.301 2.163 0.906) 2.682 13.579 ( -0.912 3.249 -0.461) 3.406 13.760 ( 0.757 -3.862 1.431) 4.188 13.976 ( -0.365 -3.683 -1.049) 3.847 14.330 ( -1.630 3.888 1.331) 4.421 14.695 ( 0.735 -0.990 -1.652) 2.061 ======================= Grid point 127 (59/192) ======================= q-point: ( 0.11 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 9.369 18.538 7.651) 22.135 2.168 ( -6.025 18.318 10.409) 21.913 2.749 ( 11.189 5.108 -4.453) 13.081 2.832 ( -4.531 5.497 -0.039) 7.124 3.168 ( 2.811 2.656 -1.354) 4.098 3.194 ( -0.204 3.950 1.208) 4.135 3.403 ( -3.086 -1.589 0.741) 3.549 3.522 ( -0.559 4.347 -3.977) 5.918 3.736 ( -0.760 1.236 0.142) 1.458 3.897 ( 0.147 -1.987 0.588) 2.077 4.546 ( 2.951 1.015 1.923) 3.665 4.752 ( 1.222 1.818 -1.416) 2.608 5.162 ( -9.572 -0.994 10.389) 14.161 5.488 ( 5.397 -0.756 -5.728) 7.906 5.703 ( 3.086 0.702 3.659) 4.838 6.278 ( -3.074 -4.205 6.541) 8.362 6.704 ( 4.458 3.319 -6.284) 8.389 6.847 ( -6.483 -4.084 -3.068) 8.253 8.254 ( 3.403 1.814 3.923) 5.501 8.553 ( -1.085 -5.452 -0.799) 5.616 8.811 ( 2.785 -2.192 -2.095) 4.117 8.913 ( -0.265 5.713 -4.431) 7.235 9.068 ( 2.226 -2.402 -0.171) 3.280 9.133 ( -0.718 0.740 2.132) 2.368 9.355 ( -3.013 1.441 -0.660) 3.405 9.404 ( 0.187 -2.655 -0.612) 2.732 12.547 ( -0.016 0.697 1.972) 2.092 12.715 ( -0.207 0.978 -1.437) 1.751 12.819 ( 0.513 -1.143 0.110) 1.257 12.904 ( 2.469 1.059 -0.090) 2.688 13.459 ( 2.428 2.784 2.295) 4.349 13.540 ( -2.136 3.150 -1.297) 4.021 13.788 ( 0.185 -2.845 1.652) 3.295 13.947 ( -1.265 -3.614 -1.535) 4.125 14.309 ( -1.510 3.963 1.092) 4.380 14.711 ( 2.248 -1.455 -1.617) 3.128 ======================= Grid point 128 (60/192) ======================= q-point: ( 0.22 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 0.326 11.484 8.938) 14.556 2.235 ( 8.978 13.757 -0.141) 16.428 2.770 ( 0.856 0.262 -0.951) 1.306 2.913 ( 6.486 3.902 -2.936) 8.119 3.120 ( -3.354 7.613 -4.881) 9.646 3.213 ( -0.608 -3.060 -2.587) 4.053 3.337 ( -1.756 1.318 0.404) 2.233 3.474 ( -2.943 -0.889 -1.542) 3.440 3.726 ( 0.390 -1.158 -0.266) 1.251 3.885 ( -2.258 -3.288 1.170) 4.157 4.557 ( 1.186 0.037 -8.624) 8.705 4.864 ( 4.857 7.718 11.631) 14.779 5.063 ( -8.710 -1.691 10.577) 13.806 5.498 ( 1.187 -5.965 -7.311) 9.510 5.793 ( 1.766 -0.750 4.700) 5.077 6.262 ( -4.500 -5.008 7.480) 10.064 6.712 ( -4.407 -0.255 -1.517) 4.668 6.768 ( 6.995 4.355 -6.213) 10.320 8.373 ( 5.116 3.866 3.765) 7.436 8.511 ( -2.482 -2.561 -0.065) 3.567 8.846 ( 2.659 1.720 -5.570) 6.407 8.896 ( 2.226 2.095 -1.639) 3.468 9.102 ( 2.070 -3.116 -2.361) 4.424 9.153 ( 0.267 1.834 3.726) 4.161 9.268 ( -4.421 0.519 -0.688) 4.504 9.425 ( 1.263 -2.445 0.815) 2.870 12.549 ( -0.789 2.163 1.329) 2.658 12.714 ( 0.867 0.436 -1.404) 1.707 12.832 ( 0.797 1.022 0.072) 1.298 12.957 ( 2.680 1.261 0.232) 2.971 13.480 ( -2.350 2.988 -1.546) 4.104 13.537 ( 2.862 2.931 2.780) 4.951 13.772 ( -2.592 -2.019 0.120) 3.288 13.920 ( -0.164 -2.967 -1.152) 3.187 14.292 ( -1.265 4.037 1.624) 4.531 14.753 ( 3.215 -1.698 -1.448) 3.914 ======================= Grid point 129 (61/192) ======================= q-point: ( 0.33 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 5.762 5.182 4.768) 9.099 2.324 ( 5.383 6.850 -7.319) 11.378 2.827 ( 2.012 0.410 -0.339) 2.081 2.939 ( 0.555 6.374 -0.832) 6.452 3.057 ( 2.646 5.200 -3.656) 6.885 3.157 ( -0.473 -4.923 -5.721) 7.563 3.318 ( -2.378 1.806 -0.007) 2.986 3.395 ( -3.077 -4.258 -0.067) 5.254 3.744 ( 1.453 -4.172 -1.150) 4.565 3.834 ( -4.494 -5.113 3.430) 7.622 4.492 ( -0.600 -0.649 -7.331) 7.384 4.978 ( -7.895 6.113 17.729) 20.347 5.081 ( 6.415 0.196 2.308) 6.821 5.437 ( -0.780 -9.772 -6.586) 11.810 5.819 ( -3.289 -2.569 4.163) 5.895 6.232 ( -4.786 -4.869 7.946) 10.476 6.663 ( 0.096 4.373 -0.978) 4.482 6.855 ( 6.497 4.350 -5.783) 9.725 8.454 ( -0.953 2.831 -0.728) 3.074 8.504 ( 2.790 2.629 3.227) 5.011 8.845 ( 2.163 4.410 -3.846) 6.238 8.939 ( 3.009 -0.360 -3.270) 4.459 9.108 ( 1.333 -2.789 -4.142) 5.168 9.184 ( -2.425 2.785 2.744) 4.601 9.205 ( 0.086 -0.250 2.239) 2.254 9.453 ( 0.470 -2.591 1.454) 3.008 12.549 ( -0.188 4.485 1.192) 4.644 12.716 ( 0.628 0.659 -1.335) 1.616 12.847 ( 0.828 2.320 -0.500) 2.514 13.002 ( 1.413 1.919 0.468) 2.429 13.429 ( -1.460 2.216 -1.196) 2.911 13.608 ( 2.082 3.371 1.898) 4.393 13.711 ( -2.973 -2.233 -0.033) 3.719 13.912 ( 0.209 -1.985 -1.408) 2.442 14.289 ( -0.895 4.136 2.775) 5.060 14.803 ( 2.864 -1.545 -1.475) 3.572 ======================= Grid point 130 (62/192) ======================= q-point: ( 0.44 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 4.028 -0.544 -8.382) 9.316 2.491 ( 6.053 -0.451 1.997) 6.390 2.788 ( -2.348 10.174 0.215) 10.443 3.024 ( 2.959 2.271 2.709) 4.610 3.096 ( 2.635 2.948 -2.132) 4.493 3.144 ( 4.394 -3.292 -2.246) 5.932 3.227 ( -4.302 -3.855 -3.487) 6.748 3.374 ( 0.392 -2.497 -1.112) 2.761 3.756 ( 1.246 -6.551 -1.735) 6.891 3.787 ( -3.448 -5.275 4.991) 8.039 4.429 ( -0.859 -1.027 -3.971) 4.191 4.971 ( -6.330 7.569 15.137) 18.069 5.215 ( 6.318 -2.970 0.301) 6.988 5.375 ( -2.216 -9.020 -2.582) 9.640 5.736 ( -6.265 -4.080 -0.253) 7.481 6.209 ( -4.284 -4.228 8.030) 10.036 6.676 ( 1.538 6.721 -1.244) 7.006 6.908 ( 3.628 3.733 -5.932) 7.892 8.426 ( -0.606 2.539 -0.900) 2.761 8.557 ( 0.112 5.152 1.099) 5.270 8.871 ( 2.514 4.143 -1.723) 5.143 8.950 ( 1.964 0.194 -4.792) 5.182 9.098 ( 1.493 -1.433 -3.621) 4.170 9.146 ( -2.722 0.921 0.944) 3.025 9.250 ( 0.662 0.357 3.963) 4.033 9.461 ( -0.707 -2.675 1.009) 2.945 12.554 ( -0.505 5.512 0.901) 5.608 12.726 ( 1.298 1.890 -0.400) 2.328 12.851 ( 0.208 2.657 -1.312) 2.970 13.016 ( -0.175 2.472 0.195) 2.486 13.413 ( 0.385 1.699 -0.042) 1.743 13.617 ( -1.287 2.083 -1.778) 3.026 13.693 ( -0.080 -0.828 2.763) 2.885 13.906 ( 0.537 -1.850 -1.632) 2.525 14.302 ( -0.642 4.315 3.997) 5.917 14.831 ( 1.341 -1.131 -1.832) 2.536 ======================= Grid point 131 (63/192) ======================= q-point: (-0.44 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -3.595 -3.362 -2.985) 5.756 2.534 ( -0.061 -1.931 -2.599) 3.238 2.779 ( 0.070 10.865 -0.379) 10.871 3.047 ( -1.544 1.027 5.391) 5.701 3.122 ( -0.897 -0.138 -2.964) 3.100 3.166 ( 4.907 0.527 -4.366) 6.590 3.283 ( 7.827 -2.951 3.249) 8.973 3.370 ( 0.099 -2.072 -1.390) 2.497 3.760 ( 0.245 -3.589 -0.677) 3.661 3.798 ( 1.605 -7.520 1.337) 7.804 4.404 ( 0.961 -2.227 -2.098) 3.207 4.980 ( -6.240 13.457 15.928) 21.766 5.274 ( -7.737 -5.808 0.871) 9.714 5.321 ( 4.517 -4.997 -3.377) 7.535 5.630 ( -0.523 -7.856 -4.309) 8.975 6.201 ( -2.629 -3.198 6.753) 7.921 6.687 ( 0.415 5.657 -0.696) 5.715 6.902 ( 1.011 3.110 -5.706) 6.577 8.416 ( 0.175 4.221 -1.740) 4.569 8.527 ( -2.980 3.633 0.235) 4.705 8.903 ( 2.040 3.208 -1.325) 4.026 8.953 ( 2.382 -0.180 -4.723) 5.292 9.079 ( -3.999 -0.213 -1.106) 4.154 9.125 ( 3.041 1.478 -0.617) 3.437 9.284 ( -0.769 -0.808 3.904) 4.060 9.446 ( -1.155 -2.715 0.331) 2.969 12.543 ( -1.026 4.580 0.536) 4.724 12.760 ( 1.904 2.899 0.573) 3.516 12.831 ( -1.028 2.680 -1.647) 3.309 13.004 ( -0.887 2.371 -0.346) 2.555 13.440 ( 1.811 1.654 1.155) 2.711 13.563 ( -2.280 1.889 -2.508) 3.880 13.719 ( 0.559 -0.319 2.018) 2.118 13.909 ( 0.887 -2.504 -1.114) 2.881 14.326 ( -0.686 4.466 4.750) 6.556 14.823 ( -0.407 -0.725 -2.239) 2.388 ======================= Grid point 132 (64/192) ======================= q-point: (-0.33 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -12.717 2.816 -3.611) 13.516 2.453 ( -8.653 3.373 -1.912) 9.482 2.767 ( 1.797 7.473 -1.412) 7.814 3.075 ( -0.737 -0.526 -1.187) 1.493 3.136 ( 4.824 -1.578 1.576) 5.315 3.218 ( 1.299 4.023 -0.247) 4.235 3.344 ( -1.010 -1.743 0.812) 2.172 3.480 ( 7.972 -1.621 3.219) 8.749 3.760 ( -0.282 -4.177 0.117) 4.188 3.835 ( 2.197 -3.043 -3.417) 5.075 4.429 ( 2.809 -4.204 -1.895) 5.400 4.904 ( -13.948 18.978 11.616) 26.261 5.193 ( -2.011 -3.414 8.605) 9.474 5.307 ( 1.720 -7.059 -12.013) 14.039 5.654 ( 3.314 -6.513 -1.985) 7.573 6.221 ( -0.595 -2.155 5.510) 5.946 6.707 ( 2.539 1.397 1.176) 3.128 6.862 ( -0.674 2.636 -4.637) 5.376 8.361 ( -4.250 6.553 -2.484) 8.195 8.506 ( 0.915 -1.139 0.940) 1.737 8.923 ( 2.033 -1.200 -4.344) 4.944 8.946 ( -1.944 -0.276 -2.594) 3.254 9.009 ( -0.051 3.467 0.406) 3.491 9.192 ( 2.937 2.012 0.539) 3.600 9.279 ( -2.190 -1.742 3.033) 4.126 9.434 ( -0.296 -2.646 0.542) 2.718 12.528 ( -0.805 3.200 0.304) 3.313 12.790 ( -1.225 3.948 -2.058) 4.617 12.800 ( 0.958 1.170 1.744) 2.308 12.976 ( -1.574 1.765 -0.848) 2.512 13.483 ( -0.528 2.819 -0.923) 3.013 13.501 ( 0.059 1.107 -0.114) 1.115 13.744 ( 0.750 -0.816 0.675) 1.298 13.922 ( 1.123 -3.306 -0.347) 3.509 14.348 ( -1.060 4.423 4.602) 6.470 14.785 ( -1.386 -0.467 -2.297) 2.724 ======================= Grid point 133 (65/192) ======================= q-point: (-0.22 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -8.669 12.247 -4.228) 15.589 2.209 ( -12.432 15.772 -1.316) 20.126 2.824 ( 2.667 5.626 1.089) 6.321 3.037 ( -2.222 -1.950 -0.092) 2.958 3.174 ( -5.096 2.118 0.105) 5.520 3.215 ( 2.477 2.421 -2.665) 4.370 3.375 ( 1.703 -1.406 3.361) 4.021 3.628 ( 4.921 -0.732 1.708) 5.260 3.730 ( -4.331 3.411 1.091) 5.620 3.821 ( 1.148 -1.938 -4.688) 5.201 4.448 ( -0.233 -4.885 -0.450) 4.911 4.780 ( -3.822 12.743 5.668) 14.461 5.222 ( 0.094 -4.331 -5.463) 6.972 5.281 ( 1.270 -1.646 5.059) 5.469 5.671 ( 0.423 -1.734 -2.713) 3.247 6.252 ( -0.797 -1.197 4.579) 4.800 6.804 ( -1.096 2.116 -4.238) 4.862 6.820 ( 6.103 -3.705 3.008) 7.747 8.255 ( -4.530 4.302 -0.655) 6.281 8.544 ( 1.861 -3.523 0.027) 3.984 8.855 ( -2.854 -2.242 -2.720) 4.536 8.937 ( 1.972 -1.672 -3.181) 4.099 9.047 ( 1.642 5.805 0.648) 6.068 9.187 ( -3.531 -2.064 1.561) 4.378 9.305 ( 2.766 1.732 0.726) 3.343 9.443 ( 0.194 -2.470 1.420) 2.856 12.515 ( -0.658 2.351 -0.069) 2.442 12.758 ( -0.703 2.368 -0.534) 2.527 12.824 ( 0.121 0.672 1.188) 1.370 12.930 ( -2.181 1.204 -1.161) 2.748 13.426 ( -1.727 2.262 -2.000) 3.479 13.545 ( 1.695 1.627 1.353) 2.711 13.753 ( -0.028 -1.933 -0.196) 1.943 13.948 ( 1.575 -3.613 0.023) 3.941 14.357 ( -1.522 4.170 3.532) 5.673 14.740 ( -1.295 -0.397 -1.948) 2.373 ======================= Grid point 134 (66/192) ======================= q-point: (-0.11 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -1.938 21.908 2.703) 22.159 2.050 ( -1.455 24.468 0.432) 24.515 2.799 ( -6.974 6.067 -0.800) 9.278 3.018 ( -1.836 -1.308 5.215) 5.682 3.067 ( -3.207 3.480 -1.460) 4.953 3.220 ( 0.361 5.661 -1.922) 5.989 3.402 ( -0.923 0.495 1.515) 1.842 3.634 ( -3.811 8.566 -0.285) 9.380 3.708 ( 2.391 1.283 0.465) 2.753 3.837 ( 2.434 -4.699 -1.147) 5.415 4.444 ( -0.277 -4.181 2.230) 4.747 4.794 ( 0.911 4.446 -0.651) 4.585 5.209 ( 3.963 -1.706 -5.685) 7.137 5.342 ( -0.983 -0.382 8.129) 8.197 5.646 ( -0.436 1.765 -1.996) 2.700 6.267 ( -1.271 -1.665 4.431) 4.902 6.743 ( -1.126 2.001 -4.254) 4.834 6.951 ( 4.172 -6.020 0.784) 7.366 8.190 ( -2.334 2.059 1.465) 3.440 8.565 ( 0.821 -6.110 -1.293) 6.299 8.805 ( -0.751 -2.104 -1.315) 2.592 8.953 ( 2.059 -1.497 -2.731) 3.734 9.048 ( -1.645 4.315 -0.127) 4.619 9.148 ( -1.256 -1.456 1.340) 2.344 9.354 ( 1.971 2.260 -0.686) 3.076 9.455 ( -0.478 -1.871 1.529) 2.463 12.506 ( -0.157 1.905 0.345) 1.942 12.757 ( 0.653 1.634 -0.029) 1.760 12.817 ( -1.698 -1.906 0.535) 2.608 12.885 ( -1.127 1.439 -0.861) 2.021 13.397 ( -0.150 1.957 -0.674) 2.075 13.579 ( 0.796 2.414 0.637) 2.620 13.748 ( -0.182 -3.328 0.235) 3.341 13.975 ( 1.079 -3.661 -0.365) 3.834 14.348 ( -1.697 3.932 2.218) 4.823 14.707 ( -0.515 -0.578 -1.653) 1.825 ======================= Grid point 135 (67/192) ======================= q-point: ( 0.00 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 1.697 18.359 5.806) 19.330 2.576 ( 3.130 19.697 5.733) 20.752 2.686 ( -4.150 -0.245 -0.491) 4.186 2.992 ( -4.207 1.333 0.745) 4.476 3.109 ( 1.719 -0.445 2.911) 3.410 3.307 ( 0.421 2.659 -3.205) 4.186 3.397 ( -0.867 -1.210 1.761) 2.306 3.574 ( -1.007 -8.269 -0.932) 8.382 3.767 ( -0.380 1.835 1.974) 2.721 3.888 ( 2.381 3.735 -3.860) 5.876 4.499 ( 7.427 4.890 -5.144) 10.273 4.823 ( -0.813 2.655 -1.085) 2.981 5.257 ( -6.016 2.954 9.563) 11.678 5.428 ( 7.397 1.995 -3.716) 8.515 5.687 ( -2.298 3.204 3.457) 5.245 6.183 ( -3.195 -6.964 4.534) 8.902 6.734 ( 0.681 1.190 -3.177) 3.460 6.858 ( -1.914 -4.939 -1.053) 5.401 8.240 ( 1.196 3.944 0.247) 4.129 8.460 ( 0.752 -3.687 -0.552) 3.803 8.745 ( 0.848 -2.571 -1.539) 3.114 8.918 ( 2.196 -5.997 -0.473) 6.404 9.035 ( -1.127 2.457 -0.811) 2.822 9.169 ( 0.414 0.487 -0.519) 0.823 9.394 ( -1.182 1.266 -0.194) 1.742 9.430 ( -2.003 0.444 0.809) 2.205 12.554 ( -0.007 2.251 1.329) 2.614 12.726 ( -1.385 -3.217 0.328) 3.518 12.792 ( 0.782 1.509 -0.973) 1.958 12.885 ( 0.653 -0.386 -0.952) 1.218 13.464 ( 1.513 3.457 1.377) 4.017 13.648 ( 0.051 3.669 -0.632) 3.723 13.689 ( 0.268 -3.372 1.770) 3.818 13.900 ( -0.443 -4.209 -0.853) 4.318 14.410 ( -1.331 4.399 0.701) 4.650 14.656 ( 0.189 -3.041 -1.435) 3.368 ======================= Grid point 136 (68/192) ======================= q-point: ( 0.11 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 4.275 13.345 6.318) 15.372 2.461 ( -9.101 11.543 5.391) 15.657 2.800 ( 3.893 4.052 -1.084) 5.722 2.924 ( -0.762 2.132 -0.084) 2.266 3.170 ( 1.709 -1.147 0.354) 2.089 3.273 ( -1.365 1.645 -1.905) 2.863 3.375 ( -2.277 -0.956 1.052) 2.684 3.552 ( 0.363 -2.183 -2.670) 3.468 3.739 ( -3.991 0.048 1.507) 4.267 3.880 ( -1.584 0.116 -0.792) 1.774 4.600 ( 7.551 4.858 -10.377) 13.722 4.848 ( 3.316 5.700 4.173) 7.804 5.186 ( -9.602 4.272 11.960) 15.921 5.488 ( 2.398 1.105 -7.983) 8.408 5.699 ( -0.506 -0.831 7.217) 7.283 6.155 ( -3.814 -8.706 5.438) 10.951 6.748 ( 3.443 1.124 -3.926) 5.342 6.783 ( -3.307 -2.297 -1.334) 4.241 8.311 ( 5.450 3.826 0.933) 6.724 8.486 ( 1.606 -1.479 0.265) 2.200 8.762 ( 2.762 -2.502 -2.242) 4.349 8.958 ( 2.194 -5.825 -0.654) 6.259 9.015 ( -0.210 3.567 -1.690) 3.953 9.176 ( 0.372 1.046 0.502) 1.219 9.358 ( -3.334 -0.594 0.173) 3.391 9.382 ( -1.547 0.548 0.021) 1.642 12.570 ( 0.318 1.690 1.537) 2.306 12.706 ( -0.430 -1.846 -0.179) 1.904 12.820 ( 2.484 1.274 -0.994) 2.963 12.912 ( 2.646 -0.353 -0.660) 2.750 13.523 ( 2.615 3.697 2.777) 5.312 13.609 ( -2.466 3.926 -1.206) 4.790 13.732 ( 1.238 -2.917 1.885) 3.687 13.873 ( -1.091 -4.131 -1.334) 4.476 14.391 ( -1.016 4.602 0.407) 4.731 14.662 ( 1.747 -3.564 -1.585) 4.274 ======================= Grid point 137 (69/192) ======================= q-point: ( 0.22 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( -3.671 8.682 7.297) 11.921 2.443 ( 3.256 8.120 -0.158) 8.749 2.784 ( 0.393 1.931 -2.430) 3.128 2.970 ( 3.081 0.960 -0.918) 3.356 3.133 ( -1.947 -4.194 -6.101) 7.655 3.205 ( -5.322 -0.767 0.938) 5.458 3.380 ( 1.058 3.756 1.738) 4.272 3.509 ( -3.345 4.190 -4.435) 6.958 3.669 ( -2.541 -4.136 0.776) 4.916 3.813 ( -5.816 -4.202 2.470) 7.588 4.596 ( 3.078 4.985 -13.074) 14.327 4.988 ( 4.943 1.276 1.459) 5.310 5.122 ( -6.774 9.082 16.524) 20.035 5.402 ( -2.988 -2.924 -9.505) 10.383 5.754 ( -1.428 -2.816 8.774) 9.325 6.128 ( -4.498 -9.031 7.920) 12.827 6.723 ( -0.230 1.579 -0.985) 1.876 6.825 ( 6.078 1.292 -3.598) 7.181 8.444 ( 6.345 2.925 0.480) 7.003 8.517 ( 1.577 3.423 0.974) 3.893 8.812 ( 4.773 -2.878 -4.358) 7.075 8.974 ( 1.244 1.254 -4.007) 4.379 9.012 ( 0.709 -2.289 0.890) 2.556 9.193 ( 0.548 0.149 0.773) 0.959 9.282 ( -3.947 1.529 1.306) 4.430 9.382 ( 0.155 -1.749 1.733) 2.467 12.591 ( 0.699 2.287 1.629) 2.894 12.707 ( 0.582 -1.077 -0.077) 1.227 12.864 ( 2.897 2.236 -1.425) 3.928 12.968 ( 3.248 -0.230 -0.283) 3.269 13.540 ( -2.802 3.144 -1.447) 4.453 13.606 ( 2.604 4.052 3.234) 5.801 13.730 ( -2.013 -2.237 -0.794) 3.112 13.861 ( 0.729 -3.229 -0.275) 3.322 14.379 ( -0.657 5.082 0.893) 5.202 14.697 ( 2.913 -4.148 -1.318) 5.237 ======================= Grid point 138 (70/192) ======================= q-point: ( 0.33 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -0.019 3.970 3.259) 5.137 2.427 ( -0.095 4.262 -5.868) 7.253 2.826 ( 4.505 0.201 -2.649) 5.229 2.997 ( 0.764 1.042 -0.401) 1.353 3.065 ( 0.597 -4.190 -3.409) 5.435 3.138 ( -1.655 -1.498 1.277) 2.572 3.341 ( -7.569 1.792 -2.721) 8.241 3.416 ( 0.522 6.200 -2.242) 6.614 3.633 ( -3.012 -6.650 -0.743) 7.338 3.732 ( -4.631 -5.626 6.118) 9.515 4.539 ( 1.496 6.188 -10.839) 12.571 5.012 ( -1.910 -0.442 5.032) 5.400 5.199 ( -0.425 7.645 8.697) 11.587 5.264 ( -1.925 -7.305 -8.040) 11.032 5.764 ( -4.970 -2.249 8.087) 9.755 6.111 ( -4.830 -7.785 10.223) 13.727 6.748 ( 2.955 4.535 -0.902) 5.487 6.911 ( 5.386 1.190 -3.844) 6.723 8.493 ( -0.078 3.066 0.081) 3.068 8.609 ( 5.741 6.246 -0.372) 8.492 8.856 ( 4.349 -2.769 -7.257) 8.902 8.974 ( 1.325 2.540 -1.498) 3.233 9.033 ( 1.276 -3.163 -1.027) 3.562 9.187 ( -1.576 -1.351 0.748) 2.207 9.260 ( -0.757 3.639 3.659) 5.216 9.402 ( -0.185 -2.538 2.391) 3.492 12.623 ( 0.901 3.206 1.640) 3.712 12.722 ( 0.767 -0.156 0.517) 0.938 12.902 ( 2.504 3.258 -2.297) 4.708 13.022 ( 2.207 0.116 0.033) 2.211 13.478 ( -2.067 2.930 -1.079) 3.745 13.658 ( -1.783 -2.290 1.115) 3.109 13.687 ( 1.126 3.674 -0.155) 3.846 13.874 ( 0.623 -2.128 -0.809) 2.360 14.382 ( -0.273 5.681 2.109) 6.066 14.746 ( 2.818 -4.431 -0.962) 5.339 ======================= Grid point 139 (71/192) ======================= q-point: ( 0.44 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -0.625 0.478 -9.036) 9.070 2.470 ( 2.026 -1.647 -0.233) 2.621 2.894 ( 4.320 2.447 -0.155) 4.968 3.017 ( 0.480 -1.008 1.222) 1.656 3.102 ( 3.404 -1.957 1.021) 4.057 3.148 ( -2.657 -3.139 0.093) 4.114 3.180 ( -0.407 1.844 -4.062) 4.479 3.405 ( 0.568 5.821 -3.448) 6.790 3.575 ( -2.677 -10.113 4.229) 11.284 3.719 ( -1.911 -3.832 3.841) 5.752 4.482 ( 0.817 6.961 -8.723) 11.189 5.035 ( -0.210 -1.868 4.549) 4.923 5.186 ( 1.039 -2.052 0.330) 2.324 5.258 ( -0.183 -2.042 0.911) 2.243 5.687 ( -8.550 0.554 5.130) 9.986 6.106 ( -4.499 -6.628 10.570) 13.263 6.794 ( 2.092 5.583 -1.240) 6.089 6.955 ( 2.562 1.091 -4.535) 5.321 8.486 ( -0.236 4.233 -0.355) 4.255 8.678 ( 2.025 6.668 -2.241) 7.320 8.867 ( 3.370 -3.873 -8.125) 9.611 8.987 ( 0.965 1.618 -1.459) 2.383 9.054 ( 1.757 -1.113 -0.545) 2.150 9.163 ( -2.087 0.245 1.970) 2.880 9.279 ( -0.476 2.207 3.191) 3.909 9.406 ( -1.194 -2.843 1.878) 3.611 12.639 ( -0.460 3.569 0.708) 3.668 12.747 ( 0.623 0.157 1.908) 2.013 12.922 ( 1.764 4.302 -3.107) 5.592 13.047 ( 0.332 0.665 -0.085) 0.748 13.453 ( 0.001 2.547 0.160) 2.552 13.616 ( -1.265 -2.002 -1.134) 2.625 13.719 ( 0.402 3.198 1.394) 3.512 13.871 ( 0.290 -1.843 -1.710) 2.531 14.402 ( -0.195 6.115 3.465) 7.031 14.781 ( 1.372 -4.220 -0.843) 4.517 ======================= Grid point 140 (72/192) ======================= q-point: (-0.44 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -1.025 -1.574 -5.863) 6.156 2.472 ( 0.998 -4.335 -4.606) 6.403 2.946 ( -0.569 5.586 1.140) 5.730 3.030 ( -0.141 -3.632 -3.989) 5.397 3.070 ( -0.131 1.277 6.390) 6.518 3.218 ( 5.677 -0.602 -3.331) 6.610 3.252 ( 5.912 -0.637 5.175) 7.883 3.385 ( 0.418 4.679 -3.780) 6.030 3.617 ( 2.978 -9.133 3.813) 10.335 3.711 ( -1.453 -4.014 2.697) 5.049 4.432 ( 1.506 6.053 -8.447) 10.500 5.071 ( 1.597 -5.424 0.727) 5.701 5.216 ( -0.878 -1.816 -0.957) 2.232 5.310 ( 4.185 0.896 7.993) 9.067 5.528 ( -9.889 2.779 1.542) 10.388 6.111 ( -3.155 -6.262 9.341) 11.680 6.794 ( -0.939 5.317 -1.415) 5.581 6.941 ( 0.167 0.878 -4.693) 4.777 8.485 ( 0.512 3.914 -0.406) 3.968 8.643 ( -3.160 7.340 -3.610) 8.769 8.858 ( 2.627 -5.314 -7.862) 9.846 8.982 ( -0.184 -0.903 -2.935) 3.076 9.075 ( -0.632 2.010 1.847) 2.802 9.161 ( 1.607 1.553 1.689) 2.801 9.285 ( -1.764 0.767 3.110) 3.657 9.390 ( -1.461 -2.969 1.091) 3.484 12.621 ( -1.553 3.669 0.294) 3.995 12.768 ( -0.473 -1.007 2.395) 2.641 12.920 ( 0.651 5.085 -3.009) 5.945 13.036 ( -1.040 0.902 -0.553) 1.484 13.479 ( 1.780 2.312 1.217) 3.161 13.587 ( -0.883 0.252 -1.940) 2.146 13.727 ( -0.210 1.408 1.056) 1.772 13.861 ( 0.196 -2.436 -1.659) 2.954 14.427 ( -0.574 6.082 4.269) 7.453 14.782 ( -0.491 -3.661 -0.901) 3.802 ======================= Grid point 141 (73/192) ======================= q-point: (-0.33 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -3.545 3.631 -5.137) 7.220 2.468 ( 1.199 -1.633 -3.209) 3.795 2.914 ( -2.178 6.178 1.090) 6.641 3.013 ( -0.053 -2.850 -0.708) 2.937 3.155 ( 2.994 1.774 4.849) 5.969 3.282 ( 2.866 -0.922 1.062) 3.193 3.336 ( -1.981 3.391 -2.059) 4.434 3.456 ( 8.727 -0.561 2.377) 9.062 3.666 ( -0.349 -5.166 -1.533) 5.400 3.755 ( 4.132 -5.491 2.532) 7.324 4.408 ( 3.445 3.443 -9.360) 10.551 5.060 ( -0.756 -7.804 -6.988) 10.502 5.203 ( -1.078 -0.854 0.131) 1.382 5.336 ( -9.408 17.502 12.856) 23.667 5.509 ( 7.309 -6.636 1.262) 9.953 6.143 ( -1.000 -6.123 8.352) 10.405 6.759 ( -0.910 3.608 -0.498) 3.754 6.892 ( -1.465 0.476 -3.868) 4.163 8.495 ( -0.089 4.263 -0.542) 4.299 8.516 ( -5.496 5.306 -3.361) 8.346 8.842 ( 1.651 -5.866 -7.036) 9.308 8.913 ( -3.219 -3.576 -3.170) 5.762 9.100 ( 1.534 4.962 2.309) 5.684 9.221 ( 0.089 0.762 1.231) 1.451 9.270 ( -0.141 0.644 3.095) 3.164 9.379 ( -0.492 -2.897 1.405) 3.257 12.592 ( -1.596 3.466 0.541) 3.854 12.765 ( -1.486 -2.016 1.825) 3.098 12.901 ( -0.581 4.609 -1.759) 4.968 13.000 ( -1.980 0.670 -1.094) 2.359 13.527 ( 1.276 1.707 0.322) 2.155 13.542 ( -0.971 2.846 -1.961) 3.590 13.733 ( 0.010 -0.172 0.378) 0.415 13.857 ( 0.529 -3.424 -0.652) 3.526 14.444 ( -1.211 5.589 4.060) 7.013 14.752 ( -1.645 -3.056 -0.908) 3.588 ======================= Grid point 142 (74/192) ======================= q-point: (-0.22 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 1.617 13.070 -3.759) 13.696 2.430 ( -3.435 6.925 0.212) 7.733 2.919 ( 1.173 4.082 0.821) 4.326 2.998 ( -2.187 -1.325 2.858) 3.835 3.205 ( -3.948 1.261 0.924) 4.246 3.273 ( 1.594 3.063 -2.510) 4.269 3.360 ( 1.961 -1.258 3.771) 4.432 3.596 ( 2.258 -6.464 -1.088) 6.933 3.649 ( 1.810 -1.517 1.784) 2.960 3.840 ( 4.267 -0.607 -3.273) 5.411 4.407 ( 4.117 1.772 -9.109) 10.152 4.963 ( -3.684 -1.813 -4.029) 5.752 5.162 ( 2.558 3.176 -6.302) 7.506 5.337 ( -5.027 6.382 15.207) 17.241 5.640 ( 4.538 0.594 0.990) 4.683 6.191 ( -1.243 -5.430 6.999) 8.945 6.778 ( 2.458 -0.537 1.462) 2.910 6.828 ( -1.940 0.364 -3.065) 3.646 8.363 ( -5.839 6.434 -2.632) 9.079 8.500 ( -0.627 -0.558 -0.325) 0.900 8.788 ( -1.511 -4.630 -4.109) 6.372 8.870 ( 1.228 -4.981 -3.044) 5.966 9.143 ( 0.773 3.670 -0.364) 3.768 9.166 ( -3.978 0.089 1.841) 4.385 9.342 ( 3.196 1.709 1.843) 4.066 9.398 ( 0.551 -1.939 2.817) 3.464 12.569 ( -1.339 3.181 0.709) 3.524 12.747 ( -1.408 -2.159 1.188) 2.838 12.869 ( -1.812 2.744 -0.628) 3.348 12.946 ( -2.288 0.335 -1.419) 2.713 13.478 ( -1.731 3.063 -2.203) 4.151 13.579 ( 2.029 1.491 0.250) 2.530 13.725 ( -0.931 -0.660 -0.010) 1.141 13.875 ( 1.364 -3.907 0.140) 4.141 14.445 ( -1.686 4.966 2.926) 6.006 14.711 ( -1.716 -2.703 -0.860) 3.315 ======================= Grid point 143 (75/192) ======================= q-point: (-0.11 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 2.681 19.408 1.566) 19.655 2.414 ( 3.414 13.513 1.945) 14.072 2.864 ( -8.052 3.053 0.154) 8.613 3.020 ( -0.213 1.088 5.359) 5.472 3.102 ( -3.689 0.227 -0.269) 3.706 3.305 ( 1.997 1.803 -2.108) 3.418 3.395 ( -0.290 0.241 1.451) 1.499 3.590 ( -0.471 -11.662 0.417) 11.679 3.728 ( 2.629 2.057 1.897) 3.840 3.871 ( 3.340 4.062 -5.875) 7.885 4.427 ( 4.826 2.840 -6.351) 8.467 4.873 ( -2.649 0.539 -2.511) 3.690 5.224 ( 6.127 3.864 -2.796) 7.765 5.354 ( -3.254 1.989 10.085) 10.782 5.695 ( 0.323 4.256 1.100) 4.408 6.201 ( -2.668 -5.474 5.298) 8.072 6.767 ( -1.446 0.589 -2.494) 2.942 6.852 ( 2.491 -4.131 0.757) 4.883 8.261 ( -2.937 4.884 -0.956) 5.778 8.472 ( -1.129 -3.157 -0.967) 3.490 8.750 ( -0.061 -3.324 -1.857) 3.808 8.885 ( 2.102 -5.504 -1.817) 6.166 9.082 ( -3.302 1.235 -0.223) 3.532 9.166 ( 0.459 1.010 -0.395) 1.178 9.397 ( 1.128 2.088 0.607) 2.450 9.432 ( 0.102 -0.387 2.676) 2.706 12.553 ( -0.869 2.918 0.888) 3.171 12.737 ( -0.579 -2.817 0.965) 3.034 12.820 ( -2.293 1.523 -0.873) 2.888 12.900 ( -1.178 -0.062 -1.170) 1.661 13.447 ( -0.185 3.223 -0.572) 3.279 13.618 ( 2.028 0.547 0.017) 2.100 13.703 ( -1.454 -0.355 0.477) 1.571 13.899 ( 0.893 -4.101 -0.161) 4.200 14.430 ( -1.655 4.529 1.603) 5.081 14.676 ( -1.038 -2.727 -1.045) 3.100 ======================= Grid point 144 (76/192) ======================= q-point: ( 0.00 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -0.145 11.565 2.918) 11.928 2.642 ( -0.349 -4.448 1.289) 4.644 2.918 ( -1.881 13.748 1.907) 14.006 3.013 ( -4.468 0.693 -0.048) 4.521 3.099 ( 2.585 2.208 4.595) 5.716 3.312 ( 1.100 -13.275 3.768) 13.843 3.336 ( -0.433 1.412 -1.136) 1.863 3.380 ( -0.765 -4.253 0.076) 4.322 3.830 ( -1.079 4.227 2.475) 5.016 3.903 ( -0.714 -2.471 1.058) 2.781 4.649 ( 10.439 9.616 -12.460) 18.886 4.805 ( 5.748 -5.281 -7.948) 11.140 5.345 ( -3.499 5.684 7.968) 10.395 5.434 ( 3.062 -2.506 1.878) 4.380 5.808 ( -5.218 9.735 4.631) 11.977 6.014 ( -4.864 -10.486 4.526) 12.413 6.752 ( 0.001 0.942 -1.641) 1.892 6.784 ( -1.133 -2.695 -0.762) 3.021 8.326 ( 1.860 4.740 -2.111) 5.512 8.405 ( 1.619 -3.125 -1.537) 3.840 8.723 ( 0.832 1.216 0.232) 1.492 8.797 ( 1.053 -5.858 1.311) 6.095 9.090 ( 0.049 3.018 -1.155) 3.232 9.145 ( 0.549 -2.509 -1.079) 2.786 9.423 ( -2.086 1.359 0.421) 2.525 9.437 ( -1.875 -0.023 0.585) 1.964 12.604 ( -0.578 2.929 0.986) 3.144 12.663 ( -0.885 -3.252 0.681) 3.439 12.827 ( 0.681 1.973 -1.205) 2.410 12.864 ( 0.730 -1.715 -1.170) 2.201 13.536 ( 1.636 4.005 1.609) 4.616 13.612 ( 1.688 -3.878 1.719) 4.565 13.733 ( -0.990 4.376 -0.644) 4.533 13.818 ( -0.620 -4.391 -0.738) 4.496 14.497 ( -0.968 4.656 0.005) 4.756 14.584 ( -0.435 -4.349 -0.797) 4.443 ======================= Grid point 145 (77/192) ======================= q-point: ( 0.11 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -0.021 7.385 3.291) 8.085 2.582 ( -5.205 0.986 2.269) 5.763 2.909 ( -2.735 4.697 1.672) 5.687 2.937 ( -1.590 0.042 -0.552) 1.684 3.161 ( -0.589 2.213 -0.799) 2.425 3.249 ( -4.970 -4.056 0.130) 6.416 3.377 ( 2.490 1.417 1.962) 3.472 3.448 ( 4.865 -6.198 3.267) 8.530 3.781 ( -5.650 3.831 1.157) 6.924 3.856 ( -5.151 -3.137 0.873) 6.094 4.734 ( 8.050 8.379 -12.670) 17.191 4.867 ( 6.362 -4.096 -5.960) 9.631 5.328 ( -5.297 9.223 9.071) 13.978 5.477 ( -0.184 -4.733 -1.261) 4.902 5.745 ( -5.491 7.911 7.787) 12.384 5.953 ( -5.125 -11.845 5.673) 14.098 6.752 ( 0.494 0.060 -1.880) 1.945 6.761 ( 1.709 -0.644 -1.501) 2.364 8.392 ( 6.271 4.480 -1.889) 7.936 8.463 ( 5.143 -2.236 -1.128) 5.721 8.748 ( 1.464 1.906 0.508) 2.456 8.833 ( 1.303 -6.240 2.007) 6.683 9.088 ( 0.785 3.722 -2.079) 4.335 9.153 ( 1.016 -2.811 -1.253) 3.241 9.370 ( -3.390 1.235 0.711) 3.677 9.386 ( -2.934 -0.309 0.411) 2.978 12.610 ( 0.372 2.424 1.017) 2.655 12.659 ( 0.108 -2.676 0.530) 2.731 12.855 ( 2.964 2.069 -1.236) 3.820 12.892 ( 2.913 -1.623 -1.043) 3.494 13.595 ( 1.992 3.677 2.740) 5.000 13.656 ( -0.241 -1.867 2.198) 2.894 13.708 ( 0.154 3.143 -1.145) 3.348 13.790 ( -0.923 -4.495 -1.284) 4.765 14.484 ( -0.195 5.046 -0.326) 5.061 14.580 ( 0.849 -4.868 -1.080) 5.059 ======================= Grid point 146 (78/192) ======================= q-point: ( 0.22 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -3.677 4.755 3.412) 6.912 2.540 ( -0.988 1.662 0.675) 2.048 2.853 ( -1.770 4.829 0.119) 5.145 2.938 ( 0.632 -3.650 0.157) 3.708 3.090 ( -2.915 0.206 -3.746) 4.751 3.140 ( -5.770 -4.323 0.286) 7.216 3.464 ( 2.716 4.612 1.932) 5.691 3.546 ( 3.017 -3.003 0.557) 4.293 3.633 ( -9.213 3.013 -0.220) 9.696 3.722 ( -8.960 -5.175 1.236) 10.421 4.748 ( 4.528 9.908 -12.894) 16.879 4.925 ( 4.427 -7.330 -7.147) 11.154 5.290 ( -4.895 7.470 5.639) 10.562 5.389 ( -5.435 -1.515 -3.913) 6.866 5.748 ( -3.818 4.773 13.821) 15.112 5.926 ( -4.500 -11.407 10.854) 16.376 6.768 ( 3.010 2.870 -1.365) 4.377 6.817 ( 4.923 -1.826 -2.045) 5.635 8.510 ( 6.506 4.137 -2.216) 8.022 8.568 ( 6.437 -0.350 -1.435) 6.604 8.788 ( 2.696 1.840 -0.888) 3.383 8.877 ( 1.905 -6.146 0.737) 6.477 9.079 ( 0.151 4.274 -2.104) 4.766 9.154 ( 0.119 -3.433 -1.489) 3.744 9.323 ( -2.334 2.147 2.604) 4.103 9.356 ( -1.331 -1.318 2.337) 2.995 12.636 ( 1.260 2.298 1.367) 2.956 12.677 ( 1.067 -1.976 0.832) 2.395 12.910 ( 3.637 2.376 -1.550) 4.613 12.949 ( 3.622 -1.614 -0.982) 4.085 13.599 ( -2.621 3.034 -0.748) 4.079 13.648 ( -1.671 -1.317 1.223) 2.454 13.723 ( 1.713 2.958 -0.069) 3.418 13.795 ( 1.685 -3.773 0.498) 4.162 14.485 ( 0.514 5.935 0.076) 5.957 14.600 ( 1.918 -5.790 -0.740) 6.144 ======================= Grid point 147 (79/192) ======================= q-point: ( 0.33 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -2.785 2.498 -0.024) 3.741 2.482 ( -2.931 1.143 -3.864) 4.983 2.865 ( 2.638 4.284 0.241) 5.037 2.966 ( 2.379 -4.785 0.957) 5.429 3.024 ( -1.679 0.377 -0.097) 1.723 3.064 ( -1.982 -3.733 0.266) 4.235 3.394 ( -9.330 3.971 -1.637) 10.271 3.500 ( -8.319 -6.866 0.000) 10.787 3.541 ( 0.811 5.687 -0.791) 5.799 3.634 ( -0.667 -4.575 2.709) 5.359 4.717 ( 3.224 11.328 -12.322) 17.045 4.925 ( 2.424 -9.154 -7.861) 12.307 5.217 ( -4.224 2.719 -0.914) 5.106 5.275 ( -4.581 -0.871 1.749) 4.980 5.787 ( -4.830 5.491 14.477) 16.219 5.943 ( -4.714 -9.395 13.855) 17.391 6.833 ( 4.288 4.243 -1.446) 6.203 6.899 ( 4.782 -2.287 -2.327) 5.789 8.581 ( 2.710 5.704 -2.120) 6.661 8.673 ( 5.735 -1.883 -3.240) 6.851 8.826 ( 2.990 2.300 -3.823) 5.371 8.915 ( 2.707 -5.329 -2.500) 6.478 9.075 ( 0.351 3.985 0.547) 4.037 9.144 ( -0.376 -3.076 0.564) 3.150 9.319 ( -1.106 2.540 3.387) 4.376 9.360 ( -0.901 -1.947 3.024) 3.707 12.674 ( 1.236 2.247 1.498) 2.970 12.709 ( 1.103 -1.293 1.283) 2.130 12.963 ( 3.160 2.875 -1.937) 4.690 13.007 ( 2.898 -1.628 -0.873) 3.437 13.538 ( -2.302 3.272 -0.999) 4.124 13.601 ( -2.384 -3.223 -0.682) 4.067 13.764 ( 1.578 3.831 0.608) 4.187 13.828 ( 1.089 -2.785 -0.062) 2.991 14.505 ( 0.874 6.948 1.151) 7.096 14.638 ( 2.102 -6.632 0.020) 6.957 ======================= Grid point 148 (80/192) ======================= q-point: ( 0.44 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -2.521 3.173 -8.124) 9.079 2.423 ( -1.168 -3.310 -4.680) 5.850 2.953 ( 5.254 4.545 1.422) 7.091 3.007 ( 0.288 0.211 0.337) 0.491 3.046 ( -0.737 -2.646 1.572) 3.165 3.070 ( 3.849 -5.599 4.884) 8.367 3.237 ( -4.393 5.293 0.289) 6.885 3.377 ( -4.458 -9.053 3.930) 10.829 3.542 ( 0.321 6.123 -2.079) 6.475 3.641 ( -0.298 -4.397 0.230) 4.413 4.677 ( 2.572 12.337 -11.504) 17.063 4.907 ( 2.772 -10.557 -8.621) 13.908 5.171 ( -0.149 1.331 1.578) 2.069 5.219 ( -2.627 -2.991 1.481) 4.247 5.783 ( -7.190 8.400 13.043) 17.099 5.957 ( -5.407 -8.881 13.381) 16.946 6.888 ( 2.247 4.138 -1.839) 5.055 6.947 ( 2.195 -1.883 -3.050) 4.203 8.593 ( 0.936 6.787 -2.619) 7.334 8.723 ( 2.742 -5.323 -4.623) 7.564 8.838 ( 1.976 4.541 -5.411) 7.336 8.937 ( 2.182 -4.758 -4.284) 6.764 9.098 ( 0.562 3.351 2.500) 4.219 9.149 ( -0.518 -1.781 2.377) 3.015 9.321 ( -1.405 2.021 2.603) 3.583 9.359 ( -1.593 -2.118 2.332) 3.530 12.696 ( -0.159 2.503 0.910) 2.668 12.734 ( 0.141 -1.398 1.583) 2.117 12.997 ( 1.904 3.220 -2.101) 4.290 13.040 ( 1.164 -1.331 -0.880) 1.976 13.508 ( -0.268 3.052 0.003) 3.064 13.566 ( -0.591 -2.970 -0.331) 3.047 13.782 ( 0.095 3.107 -0.248) 3.118 13.833 ( 0.094 -2.225 -1.234) 2.546 14.533 ( 0.453 7.443 2.330) 7.812 14.673 ( 1.055 -6.815 0.714) 6.933 ======================= Grid point 149 (81/192) ======================= q-point: (-0.44 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.769 3.564 -7.728) 8.545 2.371 ( 1.643 -5.866 -7.185) 9.420 2.999 ( -1.517 0.216 0.980) 1.819 3.002 ( -1.007 0.460 1.973) 2.262 3.102 ( 2.397 2.645 5.630) 6.666 3.172 ( 2.387 -4.012 2.385) 5.242 3.280 ( 6.565 4.768 4.240) 9.155 3.412 ( 3.805 -7.551 3.441) 9.128 3.526 ( -0.057 4.576 -0.759) 4.639 3.625 ( -0.882 -4.918 -1.100) 5.116 4.626 ( 2.188 13.120 -12.191) 18.043 4.886 ( 2.793 -12.839 -10.653) 16.915 5.200 ( 0.417 0.562 1.876) 2.002 5.242 ( 4.127 -3.939 2.530) 6.241 5.732 ( -8.291 13.126 13.011) 20.256 5.957 ( -4.911 -9.982 12.154) 16.477 6.882 ( -1.007 3.794 -2.216) 4.508 6.934 ( -0.541 -1.581 -3.454) 3.837 8.584 ( 0.497 6.479 -2.687) 7.032 8.715 ( 0.495 -5.751 -4.606) 7.385 8.800 ( -1.123 5.356 -6.157) 8.238 8.913 ( -1.300 -5.259 -4.675) 7.156 9.135 ( 0.878 3.014 3.225) 4.501 9.172 ( 1.239 -0.622 2.747) 3.077 9.306 ( -2.033 1.352 1.962) 3.133 9.339 ( -1.770 -2.228 1.456) 3.197 12.685 ( -1.453 3.074 0.679) 3.467 12.736 ( -1.136 -2.219 1.468) 2.893 12.999 ( 0.021 3.043 -1.909) 3.592 13.037 ( -0.697 -0.922 -1.060) 1.568 13.526 ( 1.566 2.524 0.682) 3.048 13.569 ( 0.856 -1.841 -0.354) 2.061 13.768 ( -0.936 2.523 -0.727) 2.788 13.815 ( -0.558 -2.401 -1.641) 2.961 14.555 ( -0.568 7.082 3.008) 7.716 14.685 ( -0.567 -6.239 1.064) 6.355 ======================= Grid point 150 (82/192) ======================= q-point: (-0.33 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 3.623 6.912 -5.750) 9.693 2.392 ( 5.440 -6.148 -5.175) 9.704 2.983 ( -2.192 1.453 3.373) 4.277 2.994 ( -1.283 0.115 2.084) 2.450 3.185 ( 1.572 1.700 5.802) 6.247 3.231 ( 1.658 -2.963 3.680) 5.008 3.425 ( -0.920 4.465 -2.993) 5.454 3.467 ( 5.652 0.869 -0.140) 5.720 3.582 ( 1.602 -2.417 0.281) 2.914 3.633 ( 4.724 -6.304 4.891) 9.272 4.570 ( 3.617 12.518 -14.613) 19.579 4.836 ( 2.851 -14.016 -14.385) 20.285 5.237 ( 1.020 3.854 2.385) 4.646 5.338 ( 2.672 -6.512 1.665) 7.233 5.716 ( -4.119 16.522 14.777) 22.546 5.981 ( -2.444 -11.071 11.688) 16.284 6.829 ( -2.137 3.435 -1.818) 4.435 6.880 ( -2.062 -1.731 -2.939) 3.986 8.565 ( -0.808 4.996 -2.404) 5.603 8.640 ( -5.268 2.364 -3.549) 6.777 8.736 ( 0.759 -1.783 -6.176) 6.473 8.821 ( -3.454 -5.835 -4.033) 7.890 9.181 ( 0.973 3.277 2.238) 4.086 9.221 ( -0.210 -0.879 1.436) 1.697 9.291 ( 0.355 1.486 2.730) 3.128 9.328 ( -0.337 -2.376 2.102) 3.191 12.659 ( -1.843 3.389 0.976) 3.979 12.719 ( -1.762 -2.838 1.438) 3.637 12.968 ( -1.707 2.508 -1.456) 3.365 12.999 ( -2.078 -0.789 -1.279) 2.565 13.560 ( 1.044 1.581 -0.557) 1.975 13.576 ( 0.545 0.343 -1.366) 1.510 13.747 ( -0.673 1.721 -0.135) 1.853 13.794 ( -0.263 -3.027 -0.691) 3.116 14.558 ( -1.533 6.160 2.864) 6.964 14.671 ( -1.738 -5.304 1.021) 5.674 ======================= Grid point 151 (83/192) ======================= q-point: (-0.22 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 7.112 10.959 -2.739) 13.349 2.470 ( 4.666 -2.874 -1.264) 5.624 2.974 ( -1.090 1.715 2.150) 2.958 2.989 ( -1.347 -0.091 4.149) 4.363 3.233 ( -2.350 2.102 3.157) 4.462 3.298 ( 1.310 -4.276 3.585) 5.732 3.341 ( -2.244 4.269 -1.972) 5.210 3.448 ( -3.461 -6.849 -3.160) 8.299 3.687 ( 5.557 3.896 2.946) 7.399 3.779 ( 5.364 -4.982 2.808) 7.841 4.539 ( 6.405 11.292 -16.018) 20.618 4.783 ( 4.733 -12.792 -15.458) 20.615 5.269 ( 0.862 5.858 2.024) 6.258 5.369 ( -1.399 -3.674 4.459) 5.945 5.795 ( -0.359 13.544 11.514) 17.780 6.038 ( -1.759 -10.644 10.128) 14.798 6.791 ( -0.660 1.462 -0.433) 1.661 6.819 ( -1.862 -1.197 -1.947) 2.947 8.473 ( -5.463 4.688 -3.898) 8.186 8.520 ( -4.220 0.902 -2.139) 4.817 8.709 ( 0.587 -1.677 -3.443) 3.875 8.764 ( 0.234 -5.569 -1.944) 5.903 9.176 ( -3.275 0.972 -0.301) 3.429 9.185 ( -1.152 0.439 -0.300) 1.268 9.364 ( 3.055 0.704 2.961) 4.313 9.375 ( 2.036 -0.607 3.826) 4.376 12.633 ( -1.684 3.416 1.231) 4.003 12.696 ( -1.700 -3.076 1.399) 3.783 12.913 ( -2.740 1.889 -1.202) 3.539 12.940 ( -2.643 -0.917 -1.439) 3.146 13.537 ( -0.998 2.930 -2.079) 3.728 13.582 ( 0.526 -1.351 -1.377) 1.999 13.741 ( -0.087 2.357 0.599) 2.434 13.802 ( 0.908 -3.647 0.397) 3.779 14.544 ( -1.942 5.280 1.979) 5.964 14.640 ( -1.995 -4.567 0.599) 5.020 ======================= Grid point 152 (84/192) ======================= q-point: (-0.11 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( 4.020 11.818 0.929) 12.518 2.557 ( 5.308 0.980 1.207) 5.530 2.957 ( -2.417 6.062 1.813) 6.773 3.030 ( 1.460 -1.146 4.008) 4.417 3.122 ( -7.503 4.169 0.641) 8.607 3.288 ( -1.702 -7.699 0.086) 7.886 3.364 ( -0.273 -4.505 1.981) 4.929 3.381 ( -0.295 -2.272 -0.755) 2.412 3.792 ( 2.650 4.335 2.707) 5.757 3.873 ( 2.681 -3.250 1.313) 4.413 4.565 ( 9.069 10.705 -14.400) 20.105 4.774 ( 5.882 -9.563 -12.220) 16.595 5.318 ( 1.711 4.767 3.012) 5.893 5.379 ( -1.286 -0.909 5.670) 5.884 5.844 ( -2.698 10.919 6.707) 13.095 6.054 ( -3.794 -9.841 6.897) 12.601 6.774 ( -0.995 0.481 -1.059) 1.530 6.795 ( 0.135 -1.891 -0.095) 1.898 8.358 ( -2.906 4.873 -2.875) 6.360 8.430 ( -2.542 -2.366 -2.161) 4.090 8.709 ( 0.895 0.215 -0.828) 1.238 8.771 ( 1.088 -5.531 -0.231) 5.642 9.116 ( -2.032 2.168 -0.833) 3.086 9.156 ( -0.785 -1.680 -1.116) 2.164 9.428 ( 0.934 0.973 1.745) 2.206 9.434 ( 0.844 0.207 2.577) 2.719 12.614 ( -1.290 3.329 1.168) 3.756 12.677 ( -1.295 -3.270 1.144) 3.699 12.852 ( -2.071 1.772 -1.302) 3.020 12.884 ( -1.662 -1.424 -1.367) 2.580 13.515 ( 0.060 3.709 -0.492) 3.742 13.583 ( 0.726 -3.208 -0.319) 3.304 13.745 ( -0.183 3.639 0.367) 3.662 13.821 ( 0.544 -4.085 0.075) 4.122 14.519 ( -1.664 4.766 0.862) 5.121 14.607 ( -1.481 -4.266 -0.106) 4.517 ======================= Grid point 198 (85/192) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -8.225 0.000 29.107) 30.246 1.623 ( 16.558 0.000 33.672) 37.523 2.092 ( -11.052 0.000 29.138) 31.163 2.860 ( -2.197 0.000 8.627) 8.902 2.909 ( 1.512 0.000 -3.674) 3.973 3.197 ( 2.060 0.000 1.084) 2.328 3.250 ( -5.704 0.000 0.642) 5.741 3.390 ( -2.664 0.000 -9.304) 9.678 3.776 ( -1.699 0.000 -1.325) 2.155 3.807 ( 3.497 0.000 -4.521) 5.716 4.716 ( 6.768 0.000 -4.610) 8.189 4.825 ( -8.266 0.000 4.323) 9.328 5.160 ( 7.623 0.000 -5.204) 9.230 5.437 ( 6.127 0.000 -8.232) 10.262 5.568 ( -1.976 0.000 9.216) 9.426 6.305 ( 2.659 0.000 -15.782) 16.004 6.498 ( -0.764 0.000 10.814) 10.841 7.079 ( -5.163 0.000 -7.329) 8.965 8.385 ( -0.823 0.000 7.189) 7.236 8.648 ( -3.513 0.000 0.576) 3.560 8.784 ( 2.120 0.000 -1.524) 2.611 8.854 ( 1.944 0.000 -2.190) 2.929 9.067 ( -2.237 0.000 -0.478) 2.288 9.164 ( 0.200 0.000 -2.210) 2.219 9.281 ( 3.381 0.000 -0.569) 3.428 9.428 ( -1.710 0.000 -3.971) 4.323 12.561 ( 4.137 0.000 2.071) 4.627 12.627 ( -1.123 0.000 -0.636) 1.291 12.845 ( -0.495 0.000 2.000) 2.061 12.916 ( -1.311 0.000 -0.170) 1.322 13.352 ( 2.686 0.000 0.697) 2.775 13.464 ( -2.934 0.000 -1.350) 3.230 13.904 ( -0.251 0.000 0.298) 0.390 14.039 ( 0.263 0.000 -2.340) 2.355 14.330 ( -4.515 0.000 5.860) 7.397 14.621 ( 2.979 0.000 -2.540) 3.915 ======================= Grid point 199 (86/192) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( 0.086 0.000 20.403) 20.403 1.836 ( -9.716 0.000 29.689) 31.238 2.569 ( 27.783 0.000 8.603) 29.085 2.934 ( 3.592 0.000 -3.445) 4.977 2.948 ( 2.060 0.000 16.230) 16.360 3.008 ( -11.620 0.000 -9.789) 15.194 3.245 ( 1.954 0.000 0.540) 2.027 3.359 ( 0.577 0.000 0.059) 0.580 3.713 ( -2.373 0.000 -3.417) 4.160 3.860 ( 4.624 0.000 -1.556) 4.879 4.697 ( -7.667 0.000 3.796) 8.555 4.805 ( 5.824 0.000 -2.277) 6.253 5.279 ( 6.775 0.000 -2.023) 7.071 5.520 ( 9.459 0.000 -8.737) 12.877 5.627 ( 0.756 0.000 6.939) 6.980 6.227 ( 3.447 0.000 -17.034) 17.379 6.568 ( -2.124 0.000 12.989) 13.161 6.874 ( -8.931 0.000 -7.647) 11.757 8.432 ( -0.838 0.000 7.620) 7.666 8.579 ( -3.843 0.000 1.042) 3.981 8.811 ( 2.356 0.000 -3.113) 3.904 8.848 ( -0.877 0.000 -2.322) 2.482 9.033 ( -1.000 0.000 0.852) 1.314 9.137 ( -0.616 0.000 -1.556) 1.674 9.356 ( -1.582 0.000 -5.059) 5.301 9.365 ( 4.352 0.000 0.651) 4.401 12.555 ( -4.886 0.000 -1.662) 5.161 12.648 ( 2.923 0.000 1.346) 3.218 12.867 ( 0.496 0.000 2.330) 2.383 12.881 ( -1.923 0.000 -0.021) 1.923 13.395 ( -2.482 0.000 -2.254) 3.352 13.422 ( 3.295 0.000 1.584) 3.656 13.889 ( -1.675 0.000 0.916) 1.909 14.018 ( -0.424 0.000 -2.292) 2.331 14.289 ( -4.198 0.000 5.542) 6.952 14.667 ( 3.519 0.000 -2.215) 4.158 ======================= Grid point 200 (87/192) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 5.032 0.000 6.902) 8.542 1.951 ( 0.676 0.000 20.657) 20.668 2.709 ( -10.847 0.000 -4.691) 11.818 2.924 ( 8.553 0.000 -1.057) 8.618 3.006 ( 6.393 0.000 -4.960) 8.092 3.236 ( 7.572 0.000 6.243) 9.814 3.299 ( 7.376 0.000 3.698) 8.251 3.371 ( -0.748 0.000 2.886) 2.982 3.642 ( -1.639 0.000 -3.742) 4.085 3.961 ( 5.621 0.000 1.072) 5.722 4.615 ( -4.401 0.000 5.990) 7.433 4.911 ( 4.766 0.000 2.449) 5.359 5.376 ( 2.710 0.000 2.996) 4.040 5.655 ( 11.467 0.000 -8.395) 14.212 5.688 ( 2.157 0.000 0.426) 2.199 6.168 ( 5.029 0.000 -17.796) 18.493 6.617 ( -4.440 0.000 13.206) 13.932 6.635 ( -9.225 0.000 -6.215) 11.123 8.468 ( -1.873 0.000 7.271) 7.509 8.531 ( -2.262 0.000 2.294) 3.222 8.792 ( -2.793 0.000 -1.403) 3.126 8.808 ( 0.859 0.000 -5.644) 5.709 9.035 ( -0.074 0.000 0.805) 0.809 9.131 ( 0.597 0.000 0.215) 0.635 9.299 ( 0.082 0.000 -4.362) 4.362 9.443 ( 3.056 0.000 0.312) 3.072 12.431 ( -5.905 0.000 -1.739) 6.155 12.681 ( 0.389 0.000 -1.538) 1.586 12.854 ( -1.183 0.000 1.357) 1.800 12.889 ( -0.139 0.000 1.729) 1.735 13.340 ( -1.050 0.000 -2.414) 2.633 13.493 ( 2.495 0.000 1.328) 2.827 13.859 ( -2.526 0.000 2.199) 3.349 13.990 ( -0.629 0.000 -1.885) 1.987 14.265 ( -2.945 0.000 5.584) 6.313 14.713 ( 3.074 0.000 -2.561) 4.001 ======================= Grid point 201 (88/192) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 13.073 0.000 -0.576) 13.086 2.182 ( 8.564 0.000 12.252) 14.948 2.533 ( -8.427 0.000 6.123) 10.417 3.002 ( -2.120 0.000 4.597) 5.062 3.096 ( 6.615 0.000 -4.534) 8.020 3.271 ( 0.914 0.000 -2.065) 2.258 3.383 ( -0.658 0.000 4.304) 4.353 3.533 ( 10.830 0.000 -3.430) 11.360 3.594 ( -0.332 0.000 -3.048) 3.066 4.062 ( 4.292 0.000 -2.001) 4.736 4.630 ( -0.776 0.000 9.510) 9.542 4.992 ( -3.047 0.000 8.946) 9.451 5.430 ( -0.330 0.000 5.148) 5.158 5.730 ( 4.930 0.000 -5.999) 7.765 5.815 ( 9.829 0.000 -5.325) 11.179 6.116 ( 4.881 0.000 -18.909) 19.529 6.453 ( -3.437 0.000 -5.352) 6.361 6.584 ( -9.337 0.000 10.274) 13.883 8.471 ( -3.496 0.000 6.100) 7.031 8.522 ( -1.527 0.000 2.856) 3.239 8.734 ( -2.419 0.000 0.218) 2.429 8.773 ( 1.423 0.000 -5.918) 6.087 9.031 ( -0.031 0.000 -1.315) 1.316 9.146 ( 0.238 0.000 -0.029) 0.240 9.298 ( 2.113 0.000 -1.383) 2.525 9.485 ( 1.370 0.000 -0.602) 1.497 12.321 ( -3.924 0.000 -0.627) 3.974 12.646 ( -1.240 0.000 -3.840) 4.035 12.854 ( -0.450 0.000 2.115) 2.162 12.891 ( -0.721 0.000 1.154) 1.360 13.319 ( 0.728 0.000 -1.758) 1.902 13.526 ( 0.251 0.000 -0.381) 0.456 13.832 ( -2.498 0.000 3.435) 4.247 13.971 ( 0.118 0.000 -1.016) 1.023 14.267 ( -1.699 0.000 5.960) 6.197 14.739 ( 1.962 0.000 -3.343) 3.876 ======================= Grid point 202 (89/192) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 13.807 0.000 -0.429) 13.814 2.451 ( 10.780 0.000 5.553) 12.126 2.464 ( -4.475 0.000 15.157) 15.804 2.906 ( -12.458 0.000 7.171) 14.374 3.168 ( 3.387 0.000 -3.271) 4.708 3.264 ( 0.440 0.000 -3.309) 3.338 3.430 ( 2.128 0.000 4.442) 4.925 3.582 ( 1.149 0.000 -1.988) 2.296 3.676 ( 8.914 0.000 -7.221) 11.472 4.078 ( 1.159 0.000 -7.330) 7.421 4.728 ( 1.067 0.000 12.818) 12.862 4.878 ( -18.541 0.000 14.018) 23.244 5.468 ( 2.081 0.000 -0.349) 2.110 5.773 ( 3.609 0.000 -5.519) 6.594 5.838 ( -5.946 0.000 -1.437) 6.117 6.149 ( 16.792 0.000 -20.258) 26.313 6.427 ( 4.158 0.000 -3.911) 5.708 6.431 ( -12.163 0.000 5.975) 13.552 8.435 ( -4.637 0.000 4.943) 6.777 8.499 ( -2.331 0.000 1.429) 2.734 8.707 ( -0.787 0.000 0.841) 1.152 8.796 ( 4.675 0.000 -3.327) 5.737 9.023 ( 0.728 0.000 -1.671) 1.823 9.123 ( -1.973 0.000 -1.691) 2.598 9.347 ( 2.943 0.000 0.594) 3.002 9.488 ( -0.066 0.000 -1.470) 1.472 12.282 ( -0.190 0.000 1.072) 1.089 12.583 ( -1.399 0.000 -4.912) 5.107 12.864 ( -0.303 0.000 1.953) 1.977 12.886 ( -0.562 0.000 0.979) 1.129 13.339 ( 2.402 0.000 -0.811) 2.535 13.496 ( -1.936 0.000 -2.404) 3.087 13.821 ( -1.834 0.000 4.135) 4.524 13.979 ( 1.138 0.000 -0.357) 1.193 14.292 ( -1.161 0.000 6.537) 6.639 14.733 ( 0.685 0.000 -4.175) 4.231 ======================= Grid point 203 (90/192) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -14.100 0.000 10.440) 17.544 2.562 ( -11.123 0.000 -2.521) 11.406 2.739 ( -2.344 0.000 10.385) 10.647 2.770 ( 16.475 0.000 8.028) 18.327 3.163 ( -1.480 0.000 -1.815) 2.342 3.230 ( -0.595 0.000 -4.239) 4.281 3.530 ( 4.820 0.000 1.764) 5.132 3.604 ( 1.636 0.000 0.588) 1.738 3.762 ( 6.276 0.000 -8.749) 10.767 3.961 ( -8.835 0.000 -7.277) 11.447 4.563 ( -21.942 0.000 13.395) 25.708 4.861 ( 0.460 0.000 14.818) 14.825 5.469 ( 0.267 0.000 -6.993) 6.998 5.671 ( -7.631 0.000 -2.863) 8.150 5.750 ( -4.119 0.000 0.644) 4.169 6.280 ( -5.565 0.000 3.046) 6.344 6.315 ( 15.077 0.000 -20.927) 25.792 6.559 ( 10.711 0.000 2.436) 10.984 8.383 ( -4.651 0.000 4.848) 6.719 8.482 ( -0.145 0.000 1.564) 1.571 8.715 ( 1.238 0.000 -0.347) 1.286 8.868 ( 4.034 0.000 -2.501) 4.746 9.038 ( 1.572 0.000 0.045) 1.573 9.057 ( -2.173 0.000 -2.507) 3.318 9.410 ( 2.816 0.000 0.800) 2.927 9.460 ( -1.318 0.000 -2.167) 2.537 12.325 ( 2.944 0.000 2.111) 3.623 12.516 ( -1.173 0.000 -5.367) 5.494 12.874 ( -0.116 0.000 1.601) 1.605 12.884 ( -0.562 0.000 0.928) 1.085 13.398 ( 3.789 0.000 0.134) 3.791 13.428 ( -2.247 0.000 -3.170) 3.885 13.827 ( -1.098 0.000 4.034) 4.181 14.001 ( 1.421 0.000 -0.623) 1.551 14.324 ( -1.298 0.000 7.087) 7.205 14.700 ( -0.257 0.000 -4.709) 4.716 ======================= Grid point 204 (91/192) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -20.969 0.000 15.729) 26.213 2.126 ( -27.981 0.000 -2.817) 28.122 2.801 ( -1.916 0.000 3.900) 4.345 3.084 ( 8.171 0.000 -0.568) 8.190 3.100 ( -0.883 0.000 1.402) 1.657 3.179 ( -0.790 0.000 -4.935) 4.998 3.524 ( -30.680 0.000 7.763) 31.647 3.618 ( 4.074 0.000 -2.299) 4.678 3.655 ( 1.327 0.000 4.785) 4.966 3.812 ( 2.878 0.000 -6.979) 7.549 4.390 ( -2.486 0.000 2.928) 3.841 4.962 ( -2.767 0.000 14.272) 14.538 5.357 ( -3.203 0.000 -11.745) 12.174 5.526 ( -4.072 0.000 -4.078) 5.763 5.659 ( -7.321 0.000 6.828) 10.011 6.270 ( 0.982 0.000 3.113) 3.264 6.386 ( 9.276 0.000 -17.707) 19.989 6.837 ( 13.859 0.000 2.628) 14.106 8.343 ( -3.736 0.000 5.597) 6.729 8.528 ( 2.988 0.000 2.659) 3.999 8.744 ( 2.797 0.000 -2.302) 3.622 8.866 ( -1.693 0.000 -3.064) 3.501 9.043 ( 2.672 0.000 -2.150) 3.429 9.079 ( 1.636 0.000 1.698) 2.358 9.405 ( -2.177 0.000 -2.660) 3.438 9.463 ( 2.079 0.000 0.046) 2.079 12.417 ( 4.423 0.000 2.170) 4.927 12.456 ( -0.454 0.000 -4.708) 4.730 12.878 ( -0.855 0.000 0.933) 1.265 12.888 ( 0.389 0.000 1.231) 1.291 13.367 ( -1.470 0.000 -2.861) 3.217 13.477 ( 3.571 0.000 0.781) 3.655 13.842 ( -0.364 0.000 3.060) 3.082 14.021 ( 1.433 0.000 -1.255) 1.905 14.354 ( -1.839 0.000 7.336) 7.563 14.653 ( -0.453 0.000 -4.740) 4.762 ======================= Grid point 205 (92/192) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -32.907 0.000 -1.407) 32.937 1.707 ( -23.323 0.000 22.246) 32.231 2.660 ( -20.195 0.000 11.041) 23.016 3.008 ( -3.327 0.000 -2.494) 4.158 3.027 ( -18.484 0.000 11.907) 21.987 3.173 ( -4.036 0.000 2.165) 4.580 3.233 ( 4.028 0.000 -0.655) 4.081 3.636 ( 0.005 0.000 -3.892) 3.892 3.730 ( 2.142 0.000 4.486) 4.971 3.803 ( 2.314 0.000 -7.176) 7.540 4.454 ( 7.531 0.000 -2.603) 7.968 4.981 ( -5.810 0.000 11.084) 12.514 5.200 ( -2.377 0.000 -11.190) 11.439 5.447 ( -0.302 0.000 -5.473) 5.481 5.590 ( -6.263 0.000 8.503) 10.561 6.337 ( 1.961 0.000 5.314) 5.664 6.399 ( 6.064 0.000 -15.458) 16.605 7.081 ( 9.118 0.000 -0.012) 9.118 8.332 ( -2.365 0.000 6.281) 6.711 8.623 ( 3.830 0.000 2.820) 4.756 8.783 ( 3.412 0.000 -3.191) 4.672 8.799 ( -2.206 0.000 -2.297) 3.185 9.089 ( 3.477 0.000 -2.333) 4.188 9.115 ( 0.316 0.000 1.449) 1.483 9.337 ( -2.297 0.000 -2.929) 3.723 9.488 ( 0.915 0.000 -1.103) 1.433 12.433 ( 1.355 0.000 -2.451) 2.801 12.521 ( 4.514 0.000 1.689) 4.820 12.867 ( -1.039 0.000 1.027) 1.461 12.910 ( 0.818 0.000 0.931) 1.239 13.326 ( -0.590 0.000 -2.099) 2.180 13.530 ( 0.898 0.000 0.692) 1.133 13.865 ( 0.732 0.000 1.678) 1.831 14.037 ( 1.408 0.000 -1.758) 2.252 14.369 ( -2.720 0.000 7.087) 7.591 14.613 ( 0.268 0.000 -4.243) 4.251 ======================= Grid point 206 (93/192) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -4.676 0.000 25.033) 25.466 1.498 ( -18.592 0.000 28.815) 34.292 2.303 ( -29.266 0.000 28.177) 40.625 2.879 ( -7.056 0.000 8.450) 11.009 2.937 ( -1.398 0.000 -3.158) 3.454 3.161 ( 0.793 0.000 0.335) 0.861 3.270 ( 0.569 0.000 0.337) 0.661 3.551 ( -4.039 0.000 -7.205) 8.260 3.786 ( 0.543 0.000 1.848) 1.926 3.794 ( 2.558 0.000 -6.274) 6.775 4.598 ( 9.270 0.000 -4.359) 10.244 4.929 ( -7.109 0.000 7.202) 10.120 5.113 ( 2.355 0.000 -8.461) 8.783 5.417 ( 2.522 0.000 -7.036) 7.475 5.557 ( -4.443 0.000 9.045) 10.078 6.370 ( 3.762 0.000 -14.914) 15.381 6.420 ( 0.819 0.000 8.081) 8.123 7.167 ( 1.455 0.000 -4.211) 4.456 8.350 ( -1.356 0.000 6.651) 6.788 8.685 ( -0.221 0.000 1.331) 1.349 8.764 ( 0.546 0.000 -1.280) 1.392 8.823 ( 3.152 0.000 -2.781) 4.204 9.109 ( -1.484 0.000 -0.008) 1.484 9.139 ( 3.374 0.000 -1.741) 3.797 9.278 ( -1.064 0.000 -2.778) 2.974 9.478 ( -0.546 0.000 -2.456) 2.516 12.473 ( 3.436 0.000 0.440) 3.464 12.607 ( 2.841 0.000 0.718) 2.931 12.854 ( -1.236 0.000 1.078) 1.640 12.927 ( 0.117 0.000 0.423) 0.439 13.316 ( 0.934 0.000 -0.817) 1.241 13.520 ( -1.905 0.000 -0.191) 1.914 13.892 ( 0.941 0.000 0.620) 1.127 14.045 ( 1.013 0.000 -2.118) 2.348 14.361 ( -3.804 0.000 6.467) 7.503 14.599 ( 1.649 0.000 -3.377) 3.758 ======================= Grid point 207 (94/192) ======================= q-point: ( 0.00 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -4.841 1.095 28.043) 28.479 1.732 ( 15.901 10.874 30.558) 36.123 2.256 ( -10.413 12.316 16.070) 22.768 2.863 ( -4.289 0.754 2.734) 5.142 2.975 ( 1.243 5.824 2.713) 6.544 3.175 ( 0.723 -1.367 0.661) 1.682 3.301 ( -1.852 4.448 3.779) 6.124 3.411 ( -3.724 2.091 -9.462) 10.381 3.717 ( 1.148 -3.236 -1.563) 3.773 3.861 ( 1.072 2.917 -3.633) 4.781 4.703 ( 3.406 -1.331 -3.276) 4.910 4.785 ( -5.932 -3.587 5.331) 8.744 5.151 ( 8.162 -0.742 -6.093) 10.213 5.467 ( 5.074 2.666 -6.916) 8.983 5.577 ( -2.052 0.902 9.581) 9.840 6.334 ( 3.059 2.667 -14.620) 15.173 6.500 ( -1.059 0.274 10.003) 10.063 7.051 ( -4.918 -2.755 -6.776) 8.814 8.362 ( -0.862 -2.215 6.797) 7.201 8.684 ( -1.928 2.912 -1.142) 3.674 8.744 ( 1.448 -2.890 -1.875) 3.737 8.868 ( 0.223 0.142 -1.621) 1.642 9.029 ( -0.856 -1.787 1.178) 2.305 9.199 ( -0.639 1.299 -3.707) 3.979 9.267 ( 3.423 -0.349 0.408) 3.465 9.435 ( -1.462 0.433 -3.610) 3.918 12.557 ( 3.548 -0.273 2.239) 4.204 12.646 ( -1.221 1.779 -0.915) 2.343 12.843 ( -0.006 -0.023 1.645) 1.645 12.905 ( -1.092 -1.168 -0.128) 1.604 13.363 ( 2.492 1.134 0.690) 2.824 13.478 ( -2.724 1.341 -1.291) 3.299 13.892 ( -0.039 -1.257 0.624) 1.404 14.030 ( 0.124 -1.025 -2.337) 2.555 14.327 ( -4.054 -0.071 5.535) 6.862 14.631 ( 2.657 0.901 -2.804) 3.967 ======================= Grid point 208 (95/192) ======================= q-point: ( 0.11 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 2.162 3.596 20.365) 20.793 1.965 ( -8.829 10.840 23.617) 27.445 2.558 ( 22.491 -0.360 4.379) 22.916 2.849 ( 0.268 -3.128 3.931) 5.031 2.989 ( -5.081 2.275 -1.773) 5.842 3.147 ( -0.337 8.923 -0.466) 8.942 3.238 ( 0.495 -0.188 -1.105) 1.226 3.400 ( 1.926 3.753 2.468) 4.887 3.702 ( -1.275 -0.712 -2.313) 2.735 3.876 ( 3.399 1.288 -2.438) 4.376 4.662 ( -5.092 -3.956 0.775) 6.494 4.788 ( 2.995 -0.439 2.602) 3.992 5.272 ( 6.680 -0.762 -2.654) 7.229 5.527 ( 5.884 0.138 -3.864) 7.040 5.646 ( 2.702 2.029 4.259) 5.437 6.273 ( 4.113 4.484 -16.185) 17.290 6.562 ( -2.260 -0.643 12.409) 12.629 6.859 ( -8.393 -1.503 -6.817) 10.917 8.403 ( -0.779 -2.319 6.508) 6.953 8.626 ( -3.125 4.243 0.749) 5.322 8.747 ( 0.331 -4.976 -3.343) 6.004 8.861 ( 0.737 -0.575 -1.679) 1.921 9.033 ( -0.098 0.882 1.909) 2.105 9.159 ( -0.449 1.220 -2.978) 3.250 9.313 ( -0.114 -1.851 -1.289) 2.259 9.401 ( 2.153 1.412 -2.129) 3.341 12.562 ( -4.509 0.652 -1.113) 4.690 12.649 ( 2.547 0.235 1.020) 2.754 12.871 ( 0.943 0.420 1.838) 2.108 12.876 ( -1.529 -0.545 -0.157) 1.630 13.408 ( -1.918 1.307 -1.599) 2.818 13.434 ( 2.620 1.282 1.176) 3.145 13.882 ( -1.613 -0.706 1.029) 2.040 14.005 ( -0.611 -1.375 -2.284) 2.735 14.294 ( -3.759 0.565 5.401) 6.605 14.671 ( 3.498 0.343 -2.552) 4.343 ======================= Grid point 209 (96/192) ======================= q-point: ( 0.22 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 5.359 4.385 7.422) 10.151 2.031 ( 0.312 7.329 15.540) 17.185 2.732 ( -8.549 2.547 -4.399) 9.946 2.860 ( 7.761 -5.117 -2.359) 9.591 2.993 ( 7.642 -1.779 -0.960) 7.905 3.236 ( 2.394 -2.286 3.231) 4.625 3.259 ( 1.789 1.430 1.758) 2.887 3.481 ( 4.205 6.325 2.858) 8.115 3.646 ( -1.532 0.834 -3.448) 3.864 3.945 ( 4.316 -1.478 -0.309) 4.572 4.592 ( -3.113 -3.024 2.941) 5.243 4.904 ( 4.884 0.650 5.809) 7.617 5.349 ( 0.790 -2.211 3.938) 4.585 5.609 ( 4.793 -4.400 -4.152) 7.718 5.744 ( 6.679 4.368 -1.633) 8.146 6.238 ( 6.198 6.814 -17.342) 19.636 6.580 ( -6.592 -2.467 6.514) 9.591 6.664 ( -6.162 1.681 0.903) 6.451 8.428 ( -1.536 -2.265 4.936) 5.644 8.593 ( -2.269 4.389 3.832) 6.253 8.707 ( -0.930 -4.859 -3.437) 6.024 8.859 ( 0.651 1.331 -3.350) 3.663 9.045 ( -0.164 1.324 0.886) 1.601 9.142 ( 0.349 0.943 -0.835) 1.307 9.277 ( -0.133 -1.853 -2.828) 3.383 9.454 ( 2.825 0.794 -0.108) 2.937 12.451 ( -5.154 2.038 -1.520) 5.747 12.679 ( 0.215 -0.137 -1.056) 1.086 12.851 ( -1.045 -0.245 0.987) 1.458 12.902 ( 0.593 1.261 1.298) 1.904 13.354 ( -1.211 1.464 -2.242) 2.939 13.503 ( 2.484 1.080 1.451) 3.073 13.851 ( -2.672 -0.860 2.030) 3.464 13.974 ( -0.690 -1.548 -1.892) 2.541 14.275 ( -2.646 1.119 5.458) 6.168 14.717 ( 3.264 0.331 -2.769) 4.293 ======================= Grid point 210 (97/192) ======================= q-point: ( 0.33 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 11.427 2.307 -0.687) 11.678 2.224 ( 8.415 4.138 8.670) 12.771 2.577 ( -7.339 4.396 5.230) 10.027 2.967 ( 2.240 -3.115 2.695) 4.689 3.102 ( 6.335 -0.675 -4.695) 7.914 3.252 ( 0.388 -2.280 -1.462) 2.736 3.317 ( 0.290 -3.668 5.000) 6.208 3.551 ( 0.345 -1.645 -0.959) 1.935 3.624 ( 4.204 4.508 -4.769) 7.793 4.011 ( 3.137 -4.566 -2.447) 6.056 4.597 ( -0.296 -3.689 6.105) 7.139 5.025 ( -1.368 3.698 10.645) 11.351 5.373 ( -2.015 -4.502 6.489) 8.151 5.647 ( 4.997 -7.432 -7.781) 11.863 5.859 ( 4.570 2.726 -1.120) 5.437 6.210 ( 5.991 8.811 -18.086) 20.992 6.469 ( -2.247 1.375 -2.675) 3.755 6.598 ( -7.759 1.475 7.610) 10.968 8.423 ( -2.659 -2.514 3.627) 5.152 8.579 ( -3.054 2.724 3.984) 5.711 8.685 ( 1.287 -1.316 -1.499) 2.374 8.831 ( 0.063 2.887 -3.826) 4.793 9.035 ( -0.312 0.548 -1.652) 1.768 9.146 ( 0.082 0.096 -0.434) 0.452 9.285 ( 2.052 -1.154 -0.258) 2.369 9.491 ( 1.227 0.474 -0.630) 1.459 12.357 ( -3.181 3.725 -0.541) 4.928 12.648 ( -1.236 0.265 -3.080) 3.330 12.851 ( -0.282 -0.284 1.617) 1.666 12.912 ( -0.369 2.030 0.856) 2.234 13.332 ( 0.555 1.235 -1.584) 2.084 13.538 ( 0.263 1.193 -0.261) 1.250 13.821 ( -2.492 -1.189 3.244) 4.260 13.954 ( 0.124 -1.596 -1.118) 1.953 14.281 ( -1.577 1.392 5.851) 6.218 14.745 ( 2.181 0.633 -3.466) 4.144 ======================= Grid point 211 (98/192) ======================= q-point: (-0.56 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 15.638 -0.979 0.400) 15.674 2.406 ( -0.550 1.006 6.077) 6.184 2.554 ( 2.963 4.335 7.976) 9.549 2.954 ( -7.669 4.140 7.194) 11.300 3.162 ( 2.818 -1.058 -3.648) 4.730 3.245 ( 0.913 -1.729 -3.536) 4.040 3.375 ( 2.422 -5.284 4.232) 7.190 3.532 ( -0.332 -4.399 -0.868) 4.496 3.689 ( 6.676 1.040 -6.814) 9.596 4.016 ( 1.005 -5.728 -6.553) 8.761 4.665 ( -0.342 -5.344 9.874) 11.233 4.966 ( -15.174 7.837 16.340) 23.636 5.410 ( 2.714 -5.144 -0.576) 5.844 5.678 ( 2.798 -8.369 -5.164) 10.224 5.828 ( -5.911 -1.215 -1.497) 6.218 6.250 ( 13.184 8.718 -16.078) 22.546 6.428 ( -6.890 0.973 3.868) 7.961 6.507 ( 0.660 6.019 -2.993) 6.755 8.387 ( -3.569 -2.757 3.020) 5.428 8.541 ( -2.937 1.868 1.685) 3.868 8.715 ( 1.194 1.783 0.818) 2.297 8.830 ( 3.098 2.524 -2.732) 4.840 9.021 ( 0.608 -0.018 -1.959) 2.051 9.120 ( -1.877 -0.271 -1.921) 2.699 9.338 ( 2.622 -0.805 1.294) 3.033 9.492 ( -0.149 0.282 -1.393) 1.429 12.329 ( 0.048 4.709 1.012) 4.817 12.593 ( -1.254 1.050 -4.218) 4.524 12.861 ( -0.135 -0.256 1.767) 1.791 12.907 ( -0.625 2.021 0.556) 2.187 13.350 ( 2.234 1.094 -0.586) 2.555 13.508 ( -1.947 1.257 -2.274) 3.247 13.810 ( -1.720 -1.118 3.967) 4.466 13.962 ( 1.203 -1.673 -0.489) 2.118 14.306 ( -1.138 1.457 6.440) 6.700 14.743 ( 0.846 0.925 -4.286) 4.466 ======================= Grid point 212 (99/192) ======================= q-point: (-0.44 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -14.565 2.443 8.300) 16.941 2.563 ( -1.995 -1.485 -2.608) 3.603 2.641 ( 2.727 -2.828 4.660) 6.095 2.927 ( 3.843 9.055 9.278) 13.522 3.142 ( -2.617 -1.860 -1.376) 3.493 3.219 ( 0.098 -1.811 -4.899) 5.224 3.463 ( 4.182 -6.448 -2.179) 7.988 3.547 ( 1.123 -3.719 4.414) 5.880 3.765 ( 6.694 -0.543 -6.997) 9.698 3.933 ( -4.310 -3.345 -7.530) 9.299 4.619 ( -16.291 3.592 13.758) 21.624 4.869 ( -5.045 3.050 16.123) 17.167 5.415 ( 0.638 -5.191 -7.802) 9.393 5.590 ( -8.385 -6.780 -0.703) 10.806 5.750 ( -0.591 -1.063 -1.596) 2.006 6.300 ( -5.738 2.416 2.852) 6.848 6.398 ( 13.090 6.544 -16.959) 22.400 6.588 ( 8.023 3.085 1.146) 8.672 8.346 ( -3.380 -2.256 3.872) 5.613 8.511 ( -0.642 1.526 0.917) 1.892 8.739 ( 1.293 2.756 0.048) 3.045 8.889 ( 3.784 1.800 -2.147) 4.708 9.018 ( -0.929 -1.234 -1.039) 1.861 9.068 ( 0.228 0.534 -1.976) 2.059 9.394 ( 1.610 -1.346 1.211) 2.423 9.468 ( -0.636 0.477 -1.882) 2.043 12.369 ( 2.485 4.333 1.966) 5.368 12.535 ( -0.845 2.062 -4.813) 5.304 12.869 ( -0.618 -0.346 1.766) 1.902 12.902 ( -0.194 1.658 0.366) 1.709 13.403 ( 2.637 0.690 0.032) 2.726 13.445 ( -1.436 1.482 -2.680) 3.382 13.816 ( -1.062 -1.122 3.770) 4.074 13.985 ( 1.536 -1.603 -0.654) 2.315 14.337 ( -1.360 1.359 6.905) 7.168 14.712 ( -0.120 1.121 -4.787) 4.918 ======================= Grid point 213 (100/192) ======================= q-point: (-0.33 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -21.556 0.509 12.666) 25.007 2.173 ( -26.397 3.097 -5.707) 27.184 2.769 ( 1.162 -2.866 3.142) 4.409 3.057 ( -4.419 -2.237 -1.066) 5.066 3.114 ( 6.829 1.985 1.563) 7.282 3.177 ( -0.092 -0.262 -4.295) 4.304 3.473 ( -3.217 -4.237 -0.604) 5.354 3.624 ( 1.558 -1.495 4.536) 5.024 3.717 ( -12.326 5.685 1.526) 13.659 3.825 ( 4.464 0.474 -5.532) 7.124 4.458 ( -6.608 7.689 8.613) 13.302 4.909 ( -5.085 -4.757 13.263) 14.979 5.314 ( -2.055 -4.386 -11.389) 12.377 5.459 ( -3.709 -4.476 -0.397) 5.827 5.707 ( -4.493 2.317 2.803) 5.781 6.268 ( 0.312 0.948 1.532) 1.829 6.463 ( 7.516 6.342 -14.541) 17.554 6.818 ( 12.256 -1.789 2.726) 12.682 8.320 ( -3.163 -1.755 5.223) 6.354 8.543 ( 2.900 0.662 1.177) 3.199 8.771 ( 2.622 2.999 -1.461) 4.243 8.882 ( -2.254 1.540 -3.022) 4.073 9.008 ( 1.751 -2.771 -0.614) 3.335 9.105 ( 2.917 1.812 -0.043) 3.434 9.385 ( -2.186 -1.671 -1.352) 3.066 9.469 ( 1.559 0.368 -0.468) 1.669 12.433 ( 1.782 1.597 0.250) 2.406 12.499 ( 1.633 4.364 -2.531) 5.303 12.869 ( -0.570 -0.477 1.247) 1.451 12.903 ( -0.213 1.090 0.612) 1.268 13.374 ( -1.529 0.769 -2.557) 3.077 13.488 ( 3.263 0.943 0.854) 3.502 13.828 ( -0.394 -1.348 2.751) 3.089 14.008 ( 1.559 -1.386 -1.189) 2.400 14.362 ( -2.020 0.926 6.880) 7.230 14.667 ( -0.294 1.378 -4.641) 4.850 ======================= Grid point 214 (101/192) ======================= q-point: (-0.22 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -29.871 6.102 -2.099) 30.560 1.659 ( -23.142 -0.758 19.135) 30.038 2.710 ( -11.091 3.494 5.783) 12.987 2.976 ( -2.684 -0.107 -0.804) 2.804 3.107 ( -4.548 2.416 -1.098) 5.266 3.203 ( -1.014 -0.588 0.991) 1.536 3.287 ( -11.479 9.530 8.461) 17.152 3.635 ( 0.649 0.145 -3.368) 3.433 3.664 ( 0.077 -3.628 3.188) 4.830 3.854 ( 2.541 2.333 -3.670) 5.037 4.497 ( 4.895 4.989 1.634) 7.178 4.887 ( -5.738 -8.261 8.707) 13.303 5.185 ( -1.782 -2.559 -9.881) 10.362 5.427 ( 0.488 -0.592 -1.538) 1.719 5.635 ( -5.896 3.035 5.317) 8.500 6.313 ( 2.810 -0.806 0.760) 3.020 6.470 ( 3.831 5.460 -10.320) 12.288 7.045 ( 8.712 -3.557 0.264) 9.414 8.313 ( -2.253 -1.767 6.135) 6.771 8.623 ( 4.063 -0.720 0.342) 4.140 8.803 ( -1.439 2.059 -1.644) 3.002 8.822 ( 2.232 2.622 -2.127) 4.047 9.036 ( 1.089 -3.540 -0.365) 3.722 9.157 ( 2.496 2.563 -0.569) 3.622 9.320 ( -2.591 -1.549 -2.259) 3.771 9.490 ( 0.830 0.058 -0.959) 1.270 12.438 ( 1.182 0.751 -1.666) 2.177 12.563 ( 3.853 3.957 0.994) 5.612 12.866 ( -0.800 -0.095 0.801) 1.136 12.906 ( 0.054 -0.317 0.865) 0.923 13.335 ( -0.456 0.877 -1.923) 2.162 13.538 ( 0.815 0.688 0.814) 1.342 13.848 ( 0.678 -1.673 1.528) 2.365 14.026 ( 1.506 -1.109 -1.679) 2.513 14.369 ( -2.829 0.159 6.286) 6.896 14.631 ( 0.289 1.698 -3.918) 4.280 ======================= Grid point 215 (102/192) ======================= q-point: (-0.11 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -3.605 12.017 22.091) 25.406 1.449 ( -15.780 0.903 26.178) 30.580 2.469 ( -20.404 11.908 14.811) 27.883 2.943 ( -0.108 1.048 -2.850) 3.039 2.970 ( -9.588 8.378 8.900) 15.535 3.163 ( -0.815 -0.258 0.850) 1.205 3.272 ( 0.526 1.392 2.557) 2.958 3.567 ( -3.568 1.605 -6.419) 7.518 3.697 ( 1.910 -4.617 -0.994) 5.094 3.867 ( 1.344 2.948 -2.637) 4.177 4.622 ( 6.747 2.782 -1.483) 7.447 4.845 ( -4.887 -7.388 6.048) 10.726 5.107 ( 1.980 -1.518 -8.038) 8.416 5.436 ( 3.075 2.155 -4.923) 6.192 5.579 ( -5.279 1.771 8.144) 9.866 6.363 ( 3.650 -0.409 -6.378) 7.360 6.459 ( 0.414 3.537 -0.175) 3.565 7.132 ( 1.569 -3.508 -3.806) 5.409 8.330 ( -1.409 -1.989 6.485) 6.928 8.686 ( 2.670 -1.489 -1.462) 3.389 8.756 ( -1.395 1.137 -1.058) 2.088 8.862 ( 1.975 3.275 -1.390) 4.069 9.040 ( -0.560 -4.276 0.271) 4.321 9.197 ( 2.762 3.162 -1.327) 4.403 9.258 ( -1.610 -1.712 -2.621) 3.520 9.480 ( -0.542 0.180 -2.176) 2.250 12.476 ( 3.088 0.373 0.607) 3.169 12.634 ( 2.414 2.712 0.523) 3.668 12.850 ( -1.349 -0.188 0.873) 1.618 12.915 ( -0.036 -1.263 0.497) 1.358 13.329 ( 1.061 1.163 -0.863) 1.795 13.530 ( -1.749 0.896 -0.117) 1.969 13.876 ( 1.005 -1.757 0.801) 2.177 14.036 ( 1.025 -0.919 -2.084) 2.498 14.355 ( -3.549 -0.321 5.742) 6.758 14.617 ( 1.337 1.587 -3.234) 3.842 ======================= Grid point 216 (103/192) ======================= q-point: ( 0.00 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 0.167 17.361 16.418) 23.895 2.010 ( 14.055 17.493 22.885) 32.051 2.459 ( -7.971 8.544 1.255) 11.752 2.894 ( -5.738 2.675 1.379) 6.479 3.085 ( -1.694 4.374 2.378) 5.259 3.162 ( 2.153 0.506 1.465) 2.653 3.394 ( 1.584 4.389 3.603) 5.895 3.457 ( -5.198 1.980 -7.918) 9.676 3.682 ( 2.171 0.241 -0.433) 2.227 3.899 ( 0.750 0.822 -2.361) 2.610 4.639 ( -3.097 -5.844 0.290) 6.620 4.751 ( -1.363 1.401 6.636) 6.918 5.143 ( 9.066 0.255 -6.555) 11.190 5.517 ( 0.725 1.879 -2.592) 3.282 5.605 ( -0.535 2.191 8.496) 8.790 6.384 ( 3.848 1.617 -8.661) 9.614 6.518 ( -1.831 2.023 4.837) 5.553 6.982 ( -4.152 -4.256 -5.534) 8.123 8.313 ( -0.522 -2.614 6.205) 6.754 8.638 ( 2.333 -5.720 -3.763) 7.234 8.780 ( -0.528 3.755 -1.578) 4.107 8.840 ( -3.211 -2.153 -1.414) 4.117 9.036 ( 1.389 1.960 1.921) 3.076 9.174 ( -0.545 -2.572 -1.701) 3.131 9.299 ( 2.347 2.687 -0.746) 3.645 9.437 ( -1.778 -0.243 -2.656) 3.205 12.555 ( 2.510 0.188 2.573) 3.599 12.684 ( -1.753 1.984 -1.419) 3.004 12.848 ( 0.989 0.382 0.437) 1.147 12.871 ( -0.815 -2.250 0.169) 2.399 13.393 ( 2.287 1.963 1.230) 3.255 13.512 ( -2.256 2.221 -1.172) 3.376 13.855 ( 0.504 -2.536 1.460) 2.969 13.999 ( -0.264 -2.223 -2.230) 3.160 14.337 ( -3.158 1.299 4.536) 5.678 14.646 ( 2.038 0.452 -3.284) 3.891 ======================= Grid point 217 (104/192) ======================= q-point: ( 0.11 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 4.895 15.018 12.107) 19.901 2.195 ( -8.901 12.513 16.641) 22.644 2.576 ( 15.263 2.458 -2.276) 15.627 2.828 ( -2.200 0.930 4.731) 5.300 3.043 ( -4.385 3.263 -1.848) 5.770 3.224 ( 1.154 0.194 0.676) 1.351 3.289 ( -2.397 4.075 -6.618) 8.133 3.470 ( 3.158 2.491 2.663) 4.824 3.705 ( -0.115 1.332 -0.031) 1.338 3.899 ( 1.671 1.017 -2.475) 3.155 4.561 ( -3.069 -5.834 -2.792) 7.159 4.821 ( 1.504 3.863 10.248) 11.055 5.251 ( 6.224 -1.278 -4.626) 7.859 5.512 ( -1.418 -1.663 3.179) 3.858 5.698 ( 5.279 3.069 1.745) 6.350 6.380 ( 5.839 5.858 -13.482) 15.817 6.540 ( -3.115 -1.485 10.437) 10.993 6.823 ( -6.803 -2.043 -4.828) 8.589 8.362 ( 0.467 -1.657 5.494) 5.757 8.639 ( 0.068 -5.929 -2.754) 6.537 8.718 ( -2.784 4.558 -1.224) 5.479 8.829 ( 1.957 -2.019 -1.294) 3.095 9.068 ( 0.461 1.929 1.473) 2.470 9.158 ( 0.653 -0.945 -2.106) 2.399 9.306 ( -2.169 1.060 -0.856) 2.561 9.412 ( 2.207 -0.201 -1.411) 2.628 12.576 ( -3.024 0.757 0.537) 3.163 12.660 ( 1.385 0.997 -0.219) 1.721 12.854 ( -0.888 -1.578 0.121) 1.815 12.885 ( 2.187 0.827 0.397) 2.372 13.444 ( -1.001 2.531 -0.551) 2.777 13.468 ( 1.560 2.132 0.719) 2.738 13.860 ( -1.390 -1.625 1.327) 2.517 13.967 ( -0.911 -2.556 -2.176) 3.478 14.315 ( -2.877 1.751 4.769) 5.839 14.674 ( 3.435 -0.154 -3.112) 4.637 ======================= Grid point 218 (105/192) ======================= q-point: ( 0.22 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 4.633 10.883 2.371) 12.064 2.194 ( -0.910 9.015 9.548) 13.163 2.751 ( 7.195 -3.283 -4.612) 9.155 2.826 ( -4.426 4.957 -1.984) 6.935 2.969 ( 2.698 0.268 2.172) 3.474 3.177 ( -0.373 -3.877 -3.765) 5.417 3.307 ( 0.358 2.781 2.633) 3.846 3.529 ( -0.167 -1.103 1.255) 1.679 3.695 ( 0.929 3.248 -1.565) 3.723 3.918 ( 1.450 -0.764 -1.243) 2.057 4.501 ( -0.844 -5.672 -1.792) 6.008 4.965 ( 4.208 5.033 9.709) 11.717 5.308 ( -0.031 -1.916 4.238) 4.651 5.494 ( -1.049 -7.140 -2.169) 7.536 5.822 ( 5.843 3.521 0.955) 6.889 6.399 ( 7.466 8.885 -14.830) 18.832 6.529 ( -5.720 -2.550 7.066) 9.442 6.688 ( -4.490 0.709 0.874) 4.629 8.406 ( -0.116 0.119 3.253) 3.257 8.599 ( -2.358 -4.282 0.534) 4.918 8.694 ( 1.053 3.681 -1.004) 3.958 8.858 ( 2.091 -0.765 -2.552) 3.387 9.071 ( -0.112 0.367 -1.423) 1.474 9.168 ( 0.659 2.135 0.129) 2.238 9.248 ( -1.492 -0.760 -0.802) 1.856 9.462 ( 2.464 -0.106 0.141) 2.471 12.505 ( -3.236 3.492 -0.688) 4.810 12.679 ( 0.134 0.186 -0.583) 0.627 12.843 ( -0.479 -0.630 0.572) 0.977 12.932 ( 2.016 1.681 0.342) 2.647 13.392 ( -1.607 2.425 -1.956) 3.506 13.534 ( 2.476 2.169 1.700) 3.704 13.825 ( -2.996 -1.956 1.432) 3.854 13.936 ( -0.592 -2.207 -1.714) 2.856 14.307 ( -2.052 2.185 5.021) 5.848 14.721 ( 3.680 -0.084 -3.039) 4.774 ======================= Grid point 219 (106/192) ======================= q-point: ( 0.33 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 7.695 4.677 -4.151) 9.915 2.319 ( 7.133 5.146 4.301) 9.791 2.697 ( -5.486 8.012 2.907) 10.137 2.891 ( 7.369 -4.215 -1.612) 8.641 3.063 ( 5.671 -2.263 -3.624) 7.100 3.169 ( 0.870 -5.423 1.504) 5.695 3.306 ( -2.867 1.306 3.040) 4.378 3.487 ( -3.322 -4.574 -0.195) 5.656 3.713 ( 2.133 3.722 -3.342) 5.438 3.922 ( 0.191 -3.935 -2.032) 4.433 4.500 ( 0.545 -5.781 2.019) 6.148 5.115 ( 3.031 4.298 8.041) 9.608 5.304 ( -7.583 -1.528 12.635) 14.815 5.467 ( 4.208 -10.971 -9.416) 15.058 5.896 ( -1.060 1.228 2.049) 2.613 6.390 ( 2.939 7.572 -9.544) 12.533 6.499 ( -0.331 2.528 -0.077) 2.551 6.638 ( -1.987 2.701 0.672) 3.420 8.401 ( -2.057 0.459 1.220) 2.435 8.573 ( -1.211 -1.865 1.088) 2.475 8.729 ( 2.382 3.871 0.732) 4.603 8.860 ( 0.954 0.555 -3.544) 3.711 9.047 ( -0.171 -0.014 -3.183) 3.188 9.160 ( -1.143 1.762 -0.229) 2.112 9.265 ( 1.939 -0.647 1.805) 2.727 9.495 ( 0.852 -0.217 -0.198) 0.902 12.455 ( -1.445 6.159 -0.101) 6.327 12.659 ( -0.807 0.972 -1.845) 2.236 12.845 ( -0.054 -0.328 1.028) 1.081 12.959 ( 0.554 2.624 -0.022) 2.682 13.363 ( 0.106 1.987 -1.230) 2.339 13.570 ( 0.229 2.167 -0.150) 2.184 13.788 ( -2.222 -2.213 2.748) 4.170 13.917 ( 0.047 -2.099 -1.330) 2.486 14.318 ( -1.252 2.492 5.553) 6.214 14.758 ( 2.685 0.462 -3.521) 4.452 ======================= Grid point 220 (107/192) ======================= q-point: (-0.56 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( 12.748 -1.896 -1.043) 12.930 2.469 ( 2.784 3.464 0.259) 4.452 2.646 ( -2.112 6.655 5.251) 8.736 3.011 ( 4.292 -0.061 2.115) 4.785 3.096 ( 2.875 -4.709 -7.535) 9.338 3.229 ( -2.502 0.127 -1.076) 2.727 3.266 ( 1.489 -5.037 6.923) 8.691 3.435 ( -1.501 -5.285 0.485) 5.516 3.718 ( 2.344 1.934 -4.959) 5.816 3.893 ( -0.262 -6.392 -4.771) 7.980 4.547 ( 0.179 -6.682 6.851) 9.572 5.144 ( -10.517 9.941 17.246) 22.514 5.299 ( 2.479 -6.335 -1.760) 7.027 5.497 ( 3.397 -9.668 -2.976) 10.671 5.793 ( -8.916 -2.156 -0.269) 9.177 6.408 ( 0.832 4.175 0.199) 4.261 6.461 ( -0.051 4.924 -4.075) 6.392 6.635 ( 3.851 6.815 -6.214) 9.994 8.362 ( -2.352 0.458 0.719) 2.502 8.552 ( -1.709 -0.161 -0.037) 1.716 8.784 ( 1.864 4.517 1.389) 5.080 8.859 ( 2.283 0.330 -2.868) 3.680 9.031 ( 1.306 0.897 -2.534) 2.988 9.118 ( -2.562 0.378 -1.837) 3.175 9.324 ( 1.947 -0.489 2.547) 3.243 9.493 ( -0.509 -0.395 -0.900) 1.107 12.448 ( 0.228 7.253 1.021) 7.328 12.626 ( -0.407 2.601 -2.949) 3.953 12.855 ( -0.130 -0.459 1.543) 1.615 12.956 ( -0.448 2.899 -0.439) 2.966 13.378 ( 1.905 1.754 -0.083) 2.591 13.540 ( -2.047 1.984 -2.048) 3.510 13.782 ( -1.291 -1.674 3.523) 4.109 13.921 ( 1.208 -2.476 -0.877) 2.891 14.346 ( -0.969 2.715 6.214) 6.850 14.763 ( 1.196 1.030 -4.293) 4.574 ======================= Grid point 221 (108/192) ======================= q-point: (-0.44 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -11.959 3.378 2.864) 12.753 2.499 ( 6.531 -3.454 -0.873) 7.440 2.640 ( -4.296 2.164 -0.972) 4.908 3.054 ( 1.813 1.535 -0.820) 2.513 3.123 ( -2.485 1.697 2.754) 4.079 3.140 ( 2.704 -5.224 -4.589) 7.460 3.370 ( 2.851 -2.259 -0.309) 3.651 3.470 ( 3.359 -4.530 5.900) 8.161 3.743 ( 4.750 -1.400 -5.388) 7.318 3.838 ( -0.503 -5.968 -6.768) 9.037 4.595 ( -2.941 -5.367 10.257) 11.944 5.066 ( -14.144 16.020 20.943) 29.922 5.284 ( 0.939 -8.379 -10.218) 13.247 5.461 ( -8.105 -5.929 2.672) 10.392 5.690 ( 2.136 -5.263 -2.994) 6.421 6.349 ( -5.929 2.107 5.729) 8.510 6.519 ( 9.352 5.817 -11.105) 15.640 6.674 ( 4.306 5.401 -3.028) 7.542 8.329 ( -2.164 0.852 1.661) 2.858 8.519 ( -0.575 -0.451 -0.862) 1.129 8.817 ( 1.220 4.665 0.302) 4.831 8.903 ( 3.454 -1.013 -1.520) 3.908 9.019 ( -3.742 1.578 -2.233) 4.634 9.076 ( 3.098 0.695 -1.595) 3.553 9.369 ( 0.261 -1.097 2.238) 2.507 9.469 ( -0.598 -0.464 -1.248) 1.460 12.470 ( 0.477 5.498 1.553) 5.733 12.601 ( 0.794 5.136 -3.582) 6.312 12.861 ( -0.768 -0.581 1.992) 2.213 12.942 ( -0.444 2.389 -0.645) 2.514 13.426 ( 2.060 1.729 0.501) 2.736 13.477 ( -1.650 1.782 -2.303) 3.347 13.789 ( -0.892 -1.570 3.056) 3.549 13.943 ( 1.664 -2.685 -0.798) 3.258 14.377 ( -1.386 2.765 6.516) 7.213 14.737 ( 0.099 1.396 -4.743) 4.946 ======================= Grid point 222 (109/192) ======================= q-point: (-0.33 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -20.182 2.614 3.628) 20.672 2.250 ( -20.416 6.574 -6.268) 22.346 2.715 ( 5.276 -2.013 1.880) 5.951 3.038 ( -2.379 -0.106 -1.402) 2.764 3.125 ( 3.578 -1.473 -4.887) 6.233 3.184 ( 1.194 1.581 -0.112) 1.984 3.410 ( 1.762 -1.475 1.781) 2.908 3.591 ( 3.227 -1.893 3.831) 5.355 3.758 ( -3.186 -1.635 -4.125) 5.463 3.805 ( 4.909 -2.670 -3.931) 6.832 4.603 ( -4.417 0.491 10.629) 11.521 4.898 ( -17.070 9.640 16.198) 25.430 5.197 ( -0.629 -7.665 -11.640) 13.951 5.392 ( -0.406 -2.092 3.543) 4.135 5.708 ( -0.685 -2.298 0.161) 2.403 6.309 ( -2.043 2.780 3.327) 4.793 6.585 ( 6.396 5.659 -12.009) 14.736 6.784 ( 7.598 -1.218 2.394) 8.059 8.299 ( -2.999 0.088 3.446) 4.569 8.533 ( 2.660 -1.542 -1.040) 3.246 8.848 ( 2.450 3.866 -1.079) 4.702 8.915 ( -4.016 1.036 -2.470) 4.827 8.953 ( 2.330 -1.762 -0.628) 2.988 9.145 ( 3.889 2.533 -0.372) 4.657 9.352 ( -2.857 -1.637 0.349) 3.312 9.469 ( 1.019 -0.512 -0.169) 1.153 12.476 ( -0.454 2.938 -0.081) 2.974 12.610 ( 2.374 6.725 -1.668) 7.324 12.861 ( -0.678 -0.418 1.790) 1.959 12.926 ( -0.870 1.313 -0.494) 1.651 13.398 ( -1.888 1.754 -2.117) 3.335 13.507 ( 2.638 1.013 1.171) 3.059 13.796 ( -0.457 -1.845 1.990) 2.752 13.969 ( 1.741 -2.644 -1.047) 3.334 14.393 ( -2.291 2.384 5.925) 6.785 14.698 ( -0.133 1.633 -4.343) 4.642 ======================= Grid point 223 (110/192) ======================= q-point: (-0.22 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -18.038 6.439 3.630) 19.494 1.836 ( -18.567 16.513 3.687) 25.120 2.769 ( -2.080 2.959 1.912) 4.091 2.988 ( -0.422 0.890 -3.075) 3.229 3.132 ( 1.181 0.745 -3.939) 4.179 3.176 ( -1.533 -1.182 0.030) 1.936 3.437 ( -3.333 3.318 3.672) 5.966 3.622 ( -1.918 -0.299 0.203) 1.951 3.665 ( -2.519 2.146 0.499) 3.347 3.861 ( 2.949 -1.753 -1.588) 3.780 4.623 ( -0.744 1.153 6.831) 6.967 4.759 ( -8.123 2.711 11.401) 14.259 5.090 ( 0.112 -6.984 -11.269) 13.258 5.447 ( 1.919 2.687 3.128) 4.549 5.666 ( -4.517 -0.186 3.140) 5.505 6.319 ( 0.924 1.203 1.346) 2.028 6.579 ( 2.303 5.655 -8.954) 10.837 6.958 ( 7.426 -5.082 0.783) 9.032 8.279 ( -2.575 -1.380 5.151) 5.922 8.583 ( 3.358 -3.176 -2.224) 5.129 8.828 ( -2.048 0.376 -2.318) 3.116 8.907 ( 3.246 4.245 0.111) 5.345 8.972 ( 0.069 -1.967 -1.043) 2.228 9.202 ( 1.928 1.897 -0.349) 2.727 9.291 ( -2.402 -0.876 -1.022) 2.753 9.486 ( 0.605 -0.459 -0.175) 0.780 12.467 ( 0.245 2.282 -0.429) 2.335 12.655 ( 2.595 5.115 -0.073) 5.736 12.864 ( -0.263 -0.074 0.923) 0.962 12.899 ( -1.592 -0.291 0.101) 1.622 13.358 ( -0.578 1.504 -1.412) 2.143 13.553 ( 0.809 0.873 1.102) 1.622 13.806 ( 0.290 -2.514 1.144) 2.777 13.993 ( 1.720 -2.367 -1.406) 3.246 14.385 ( -2.954 1.665 4.786) 5.866 14.666 ( 0.144 1.691 -3.459) 3.853 ======================= Grid point 224 (111/192) ======================= q-point: (-0.11 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -2.585 17.884 15.483) 23.795 1.653 ( -3.067 19.324 13.740) 23.908 2.654 ( -10.466 7.547 1.699) 13.015 2.967 ( -0.359 1.821 -2.775) 3.339 3.117 ( -2.116 4.981 0.907) 5.488 3.138 ( -2.281 -1.761 2.659) 3.921 3.369 ( -4.105 7.422 5.706) 10.223 3.582 ( -2.563 -1.442 -3.079) 4.258 3.649 ( 1.602 1.236 -1.842) 2.736 3.893 ( 1.498 -0.421 -1.171) 1.947 4.657 ( -0.795 -6.111 3.707) 7.191 4.745 ( -2.718 4.407 7.134) 8.815 5.053 ( 5.347 -3.347 -8.814) 10.839 5.499 ( 3.142 4.281 -2.446) 5.847 5.605 ( -6.086 0.622 8.474) 10.452 6.357 ( 2.625 -0.238 -1.181) 2.888 6.541 ( -0.228 4.716 -4.511) 6.530 7.044 ( 1.824 -5.414 -2.976) 6.442 8.284 ( -1.624 -2.417 5.991) 6.661 8.619 ( 2.722 -4.904 -3.404) 6.561 8.791 ( -0.215 1.152 -1.602) 1.985 8.925 ( -2.809 1.110 -1.872) 3.554 8.981 ( 2.657 0.468 1.399) 3.039 9.202 ( -1.315 -2.366 -0.204) 2.714 9.270 ( 1.606 3.065 -2.310) 4.160 9.480 ( -0.762 -0.191 -1.231) 1.460 12.491 ( 2.004 1.351 1.135) 2.670 12.696 ( 1.329 3.273 -0.192) 3.538 12.852 ( -1.199 0.358 -0.120) 1.257 12.881 ( -0.695 -2.145 0.807) 2.394 13.356 ( 1.036 1.652 -0.226) 1.963 13.553 ( -1.232 1.510 0.061) 1.950 13.828 ( 0.939 -3.075 1.188) 3.428 14.008 ( 1.036 -2.109 -1.855) 2.994 14.362 ( -3.101 1.203 4.301) 5.437 14.647 ( 0.726 1.263 -3.166) 3.485 ======================= Grid point 225 (112/192) ======================= q-point: ( 0.00 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 1.846 20.264 9.373) 22.403 2.374 ( 12.137 19.614 12.752) 26.356 2.591 ( -7.700 5.590 -2.169) 9.759 2.966 ( -6.141 4.362 1.352) 7.653 3.128 ( -0.467 1.271 0.830) 1.588 3.203 ( 1.741 2.995 1.262) 3.687 3.453 ( -1.335 0.628 0.072) 1.477 3.466 ( -0.737 0.841 -7.527) 7.609 3.731 ( 1.229 4.050 0.982) 4.344 3.887 ( 1.322 -2.064 0.277) 2.467 4.513 ( -1.163 -6.730 0.407) 6.842 4.797 ( 0.616 1.534 2.879) 3.320 5.183 ( 5.992 4.472 -2.584) 7.911 5.529 ( -3.527 -0.177 3.577) 5.026 5.667 ( 0.374 4.329 5.922) 7.345 6.371 ( 1.822 -2.840 0.045) 3.375 6.582 ( -0.778 4.184 -2.543) 4.957 6.898 ( -2.982 -4.341 -4.087) 6.666 8.272 ( 0.356 -1.555 4.732) 4.994 8.524 ( 1.707 -5.635 -2.423) 6.367 8.767 ( -0.231 -2.919 -1.055) 3.113 8.866 ( -0.573 2.651 -4.051) 4.875 9.059 ( 0.109 -0.709 1.539) 1.698 9.145 ( 0.328 0.242 -0.354) 0.539 9.349 ( 1.344 2.412 -0.627) 2.832 9.431 ( -2.877 -0.122 -1.268) 3.147 12.566 ( 1.186 0.973 2.638) 3.052 12.718 ( -1.807 1.586 -1.629) 2.905 12.813 ( 0.081 -3.051 0.407) 3.079 12.862 ( 0.931 0.267 -0.842) 1.283 13.439 ( 2.386 2.934 1.958) 4.258 13.563 ( -1.842 3.114 -1.103) 3.782 13.799 ( 1.109 -3.230 2.187) 4.055 13.945 ( -0.640 -3.353 -1.912) 3.913 14.376 ( -2.419 2.709 3.166) 4.818 14.643 ( 1.320 -0.868 -3.351) 3.705 ======================= Grid point 226 (113/192) ======================= q-point: ( 0.11 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 3.851 17.653 5.389) 18.855 2.416 ( -8.627 9.763 7.970) 15.273 2.665 ( 6.998 7.241 -0.580) 10.087 2.877 ( -2.626 3.637 3.380) 5.617 3.099 ( -1.083 1.585 -3.107) 3.652 3.230 ( -3.252 1.451 -1.859) 4.018 3.346 ( -0.558 2.489 -3.625) 4.433 3.487 ( 1.592 -0.057 0.369) 1.635 3.741 ( -1.539 1.870 0.988) 2.615 3.910 ( 1.046 0.099 0.307) 1.095 4.458 ( -1.788 -4.682 -4.628) 6.822 4.903 ( 4.422 2.946 8.474) 10.002 5.233 ( 3.399 -0.101 -6.297) 7.156 5.482 ( -6.799 -0.636 8.192) 10.665 5.757 ( 5.049 3.111 2.775) 6.547 6.417 ( 1.993 -3.442 1.333) 4.195 6.562 ( 1.015 4.753 -2.671) 5.546 6.784 ( -4.813 -1.965 -2.890) 5.948 8.342 ( 2.953 -0.645 4.102) 5.095 8.535 ( 0.583 -4.443 -1.265) 4.656 8.745 ( -0.158 -1.874 -3.479) 3.955 8.842 ( 1.248 3.536 -2.094) 4.295 9.063 ( -0.202 -2.344 -0.446) 2.395 9.166 ( 1.498 1.628 1.019) 2.436 9.336 ( -3.537 1.732 -1.107) 4.091 9.400 ( 1.947 -0.681 0.415) 2.104 12.590 ( -1.118 0.794 1.949) 2.383 12.687 ( 0.243 1.666 -1.066) 1.993 12.818 ( 0.375 -2.014 -0.118) 2.052 12.897 ( 3.007 0.220 -0.562) 3.067 13.504 ( -1.270 3.682 -0.723) 3.962 13.515 ( 1.773 2.822 1.399) 3.615 13.820 ( -1.166 -2.524 1.415) 3.120 13.911 ( -0.742 -3.255 -1.797) 3.792 14.360 ( -2.096 2.831 3.668) 5.086 14.660 ( 3.168 -1.387 -3.138) 4.669 ======================= Grid point 227 (114/192) ======================= q-point: ( 0.22 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( 0.617 12.175 -3.157) 12.592 2.358 ( -2.566 7.839 4.868) 9.578 2.724 ( 3.368 1.134 -1.774) 3.972 2.918 ( 2.025 3.373 1.915) 4.375 3.039 ( -2.600 5.939 -2.532) 6.960 3.097 ( -2.347 -2.515 -5.406) 6.408 3.359 ( -0.240 2.567 1.611) 3.040 3.482 ( -3.778 -3.013 1.178) 4.974 3.719 ( -0.101 -0.874 0.000) 0.880 3.921 ( -0.913 0.525 1.152) 1.561 4.402 ( 0.322 -4.237 -4.635) 6.288 5.047 ( 3.157 1.940 6.120) 7.154 5.246 ( 4.758 -5.968 -8.824) 11.666 5.398 ( -9.588 -0.297 11.604) 15.055 5.879 ( 3.531 2.602 4.361) 6.185 6.439 ( -3.418 -3.939 6.450) 8.295 6.592 ( 6.779 7.714 -8.945) 13.618 6.693 ( -2.800 0.040 -0.187) 2.807 8.433 ( 2.966 2.366 1.627) 4.128 8.523 ( -0.889 -3.115 0.638) 3.302 8.727 ( 2.328 -0.800 -5.046) 5.614 8.870 ( 2.136 2.479 -0.422) 3.300 9.046 ( -0.046 -2.455 -2.875) 3.781 9.212 ( 1.793 1.072 1.965) 2.868 9.260 ( -3.245 2.563 -0.022) 4.135 9.450 ( 1.811 -0.933 1.402) 2.473 12.575 ( -0.968 3.532 0.959) 3.786 12.691 ( 0.403 1.214 -0.678) 1.448 12.828 ( 0.664 -0.810 -0.184) 1.064 12.957 ( 3.200 0.735 -0.342) 3.301 13.444 ( -2.089 2.974 -1.840) 4.074 13.587 ( 2.491 3.333 1.771) 4.522 13.776 ( -3.182 -3.051 0.426) 4.429 13.895 ( -0.154 -2.120 -1.109) 2.397 14.358 ( -1.401 3.116 4.256) 5.457 14.708 ( 3.927 -1.383 -2.736) 4.982 ======================= Grid point 228 (115/192) ======================= q-point: ( 0.33 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 1.789 4.787 -8.144) 9.615 2.404 ( 3.948 3.448 1.601) 5.481 2.783 ( 4.063 -0.568 -1.466) 4.357 2.935 ( -1.052 10.470 -1.101) 10.580 3.034 ( 4.148 -0.990 -2.551) 4.969 3.078 ( 1.534 -3.195 2.607) 4.400 3.330 ( -4.794 0.551 1.201) 4.973 3.394 ( -3.891 -4.313 0.437) 5.826 3.724 ( 0.267 -2.951 -0.622) 3.027 3.888 ( -2.957 0.111 0.174) 2.964 4.395 ( 1.076 -4.802 -1.055) 5.033 5.132 ( 2.806 -2.507 2.110) 4.314 5.238 ( 1.812 -10.991 -9.175) 14.431 5.350 ( -5.621 3.808 13.962) 15.526 5.918 ( -5.146 1.602 6.451) 8.406 6.421 ( -3.964 -2.195 8.097) 9.278 6.610 ( 1.726 6.649 -6.517) 9.469 6.704 ( 5.403 4.189 -5.649) 8.869 8.439 ( -1.581 3.138 -0.821) 3.608 8.548 ( 1.787 -0.412 0.456) 1.890 8.752 ( 3.928 -1.853 -4.385) 6.172 8.900 ( 0.936 3.693 -0.012) 3.810 9.023 ( 0.856 -2.011 -3.826) 4.406 9.206 ( -2.452 1.934 0.443) 3.154 9.270 ( 1.647 1.615 2.804) 3.631 9.481 ( 0.230 -1.172 0.913) 1.504 12.575 ( -0.092 5.787 1.097) 5.891 12.691 ( 0.580 2.622 -1.112) 2.907 12.838 ( 0.359 -0.396 0.031) 0.536 13.002 ( 1.586 1.564 -0.644) 2.319 13.406 ( -0.447 2.476 -0.963) 2.694 13.617 ( -0.268 2.410 -0.780) 2.547 13.741 ( -1.160 -2.357 2.487) 3.617 13.879 ( -0.179 -1.809 -1.449) 2.325 14.376 ( -0.710 3.521 5.062) 6.207 14.756 ( 3.119 -0.824 -2.910) 4.345 ======================= Grid point 229 (116/192) ======================= q-point: (-0.56 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 7.774 -2.888 -3.848) 9.142 2.487 ( 2.735 -1.541 -1.723) 3.581 2.822 ( -2.656 9.832 2.501) 10.486 2.937 ( 6.872 -3.195 -7.201) 10.454 3.067 ( 2.436 0.157 -2.689) 3.632 3.204 ( 4.248 -1.312 7.301) 8.548 3.219 ( -4.874 -1.509 1.325) 5.271 3.353 ( -1.155 -2.742 0.216) 2.983 3.713 ( 0.033 -4.307 -2.419) 4.940 3.819 ( -2.698 -0.020 -2.747) 3.850 4.421 ( 0.411 -6.072 3.893) 7.225 5.150 ( 1.149 -9.769 -6.402) 11.736 5.264 ( 1.620 -0.774 5.293) 5.589 5.378 ( -0.060 -0.506 8.062) 8.078 5.779 ( -13.821 2.300 6.156) 15.304 6.402 ( -5.787 -2.254 9.397) 11.264 6.607 ( 3.890 7.748 -7.364) 11.375 6.750 ( 4.567 5.020 -7.162) 9.867 8.402 ( -0.980 3.350 -1.206) 3.693 8.556 ( -0.524 1.108 -1.910) 2.270 8.795 ( 3.580 -3.216 -3.414) 5.900 8.909 ( 0.299 4.200 -0.119) 4.212 9.033 ( 3.042 -0.371 -2.417) 3.903 9.150 ( -3.469 2.741 -0.417) 4.441 9.322 ( 1.161 0.334 2.990) 3.225 9.475 ( -1.112 -1.411 0.075) 1.798 12.577 ( -0.921 5.526 1.351) 5.763 12.703 ( 1.934 5.634 -1.969) 6.274 12.843 ( -0.234 -0.790 0.977) 1.279 13.007 ( -0.108 2.142 -1.194) 2.454 13.416 ( 1.608 2.169 0.388) 2.727 13.577 ( -2.113 1.616 -1.963) 3.306 13.753 ( -0.557 -1.135 2.863) 3.129 13.873 ( 0.860 -2.387 -1.373) 2.885 14.409 ( -0.568 3.912 5.854) 7.063 14.775 ( 1.474 -0.062 -3.547) 3.841 ======================= Grid point 230 (117/192) ======================= q-point: (-0.44 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( -3.298 -6.055 0.327) 6.903 2.442 ( 0.348 -3.784 -4.924) 6.220 2.769 ( -3.586 10.885 -0.827) 11.490 2.990 ( 4.534 -3.788 -6.321) 8.652 3.105 ( 0.626 0.577 -0.321) 0.910 3.186 ( 2.427 2.910 1.967) 4.269 3.352 ( 1.241 -0.916 2.200) 2.687 3.384 ( 6.261 -3.385 5.871) 9.226 3.692 ( 1.250 -5.013 -5.193) 7.326 3.756 ( -0.100 -1.004 -5.283) 5.378 4.466 ( -0.915 -7.382 7.375) 10.475 5.104 ( 1.185 -10.344 -11.589) 15.579 5.322 ( -0.849 0.367 8.558) 8.608 5.442 ( -12.103 11.103 15.805) 22.794 5.567 ( -1.709 -5.136 -1.026) 5.509 6.364 ( -4.922 -0.714 8.152) 9.549 6.626 ( 4.142 5.458 -7.028) 9.815 6.770 ( 2.749 4.194 -5.145) 7.185 8.382 ( -0.729 4.361 -1.037) 4.542 8.510 ( -1.369 0.036 -2.449) 2.806 8.828 ( 2.155 -3.885 -2.351) 5.027 8.917 ( 1.112 2.098 -1.620) 2.875 9.047 ( -2.904 1.834 -1.076) 3.599 9.120 ( 3.609 3.562 -0.315) 5.081 9.353 ( -0.828 -0.586 2.854) 3.029 9.449 ( -0.990 -1.536 -0.234) 1.842 12.563 ( -1.561 4.326 1.338) 4.790 12.726 ( 2.169 7.225 -2.975) 8.109 12.846 ( -0.805 -0.987 2.434) 2.747 12.986 ( -0.834 1.936 -1.509) 2.592 13.465 ( 2.340 2.145 1.186) 3.388 13.512 ( -2.511 1.897 -2.283) 3.888 13.761 ( -0.631 -1.201 2.077) 2.481 13.887 ( 1.463 -3.059 -1.030) 3.544 14.442 ( -1.256 4.034 6.012) 7.348 14.758 ( 0.105 0.518 -3.978) 4.013 ======================= Grid point 231 (118/192) ======================= q-point: (-0.33 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -14.352 0.247 -2.712) 14.608 2.400 ( -7.422 5.543 -2.530) 9.603 2.743 ( 4.035 6.652 -0.540) 7.798 3.024 ( 1.391 -1.321 -2.678) 3.295 3.117 ( 2.854 1.551 -2.520) 4.111 3.222 ( -0.210 2.110 -1.524) 2.611 3.408 ( 0.801 0.371 5.716) 5.784 3.554 ( 6.038 -1.908 3.681) 7.324 3.686 ( 2.907 -4.995 -7.033) 9.102 3.737 ( 2.295 -3.582 -3.949) 5.804 4.494 ( -2.177 -8.146 6.635) 10.729 5.008 ( -0.167 -9.872 -12.931) 16.269 5.170 ( -15.778 8.250 7.833) 19.452 5.442 ( -0.998 10.918 16.327) 19.667 5.626 ( 2.372 -5.898 -0.478) 6.375 6.349 ( -2.921 0.919 6.151) 6.871 6.666 ( 5.707 2.962 -7.483) 9.866 6.783 ( 2.003 1.013 -0.819) 2.390 8.334 ( -3.518 3.627 0.140) 5.055 8.499 ( 1.675 -1.616 -1.677) 2.869 8.847 ( 1.587 -4.306 -1.572) 4.851 8.884 ( -2.243 -1.641 -3.669) 4.603 9.019 ( 1.075 5.744 -0.034) 5.844 9.199 ( 3.365 2.809 0.126) 4.385 9.327 ( -3.042 -0.821 1.536) 3.505 9.450 ( 0.627 -1.332 0.960) 1.757 12.542 ( -1.519 3.830 0.954) 4.229 12.734 ( 1.112 5.518 -2.453) 6.140 12.854 ( -0.567 -0.045 2.754) 2.812 12.950 ( -1.550 1.104 -1.640) 2.513 13.439 ( -2.319 2.460 -2.069) 3.964 13.527 ( 2.146 1.168 1.454) 2.843 13.763 ( -0.562 -1.512 1.157) 1.985 13.910 ( 1.714 -3.369 -0.870) 3.879 14.452 ( -2.421 3.733 4.972) 6.672 14.722 ( -0.376 0.721 -3.584) 3.675 ======================= Grid point 232 (119/192) ======================= q-point: (-0.22 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -5.000 11.445 2.182) 12.679 2.189 ( -10.315 18.021 -0.210) 20.765 2.835 ( 2.606 4.221 0.194) 4.965 3.008 ( 0.508 1.640 -2.509) 3.040 3.152 ( 1.713 2.035 -2.618) 3.732 3.174 ( -2.098 0.737 -0.878) 2.391 3.450 ( -0.478 -0.597 3.496) 3.578 3.635 ( 1.709 1.459 -5.943) 6.353 3.677 ( 0.252 -1.082 0.973) 1.476 3.783 ( 3.251 -6.114 0.188) 6.927 4.496 ( -1.972 -8.317 4.509) 9.664 4.905 ( -0.592 -7.281 -10.021) 12.401 5.018 ( -5.744 10.946 8.196) 14.831 5.549 ( 0.119 8.940 10.523) 13.808 5.627 ( -2.215 -3.686 1.711) 4.628 6.343 ( -1.608 0.809 3.290) 3.751 6.675 ( 1.546 4.158 -7.458) 8.678 6.864 ( 5.190 -4.425 0.828) 6.871 8.275 ( -3.359 1.164 2.595) 4.401 8.518 ( 1.452 -3.222 -2.296) 4.215 8.810 ( -1.788 -2.492 -1.934) 3.626 8.878 ( 2.313 -3.627 -1.732) 4.638 9.041 ( 1.185 5.176 -1.320) 5.471 9.208 ( -2.688 -1.040 0.605) 2.945 9.314 ( 1.237 2.911 0.008) 3.163 9.473 ( 0.448 -0.791 1.257) 1.552 12.524 ( -0.937 3.540 0.884) 3.767 12.737 ( 0.836 2.947 -1.192) 3.287 12.861 ( -1.027 -0.150 2.070) 2.316 12.900 ( -2.018 0.373 -1.656) 2.637 13.394 ( -0.814 2.275 -1.038) 2.630 13.572 ( 1.214 1.121 1.241) 2.067 13.759 ( -0.476 -2.215 0.690) 2.368 13.938 ( 1.769 -3.305 -0.965) 3.871 14.432 ( -2.964 3.213 3.461) 5.575 14.688 ( -0.419 0.471 -2.902) 2.970 ======================= Grid point 233 (120/192) ======================= q-point: (-0.11 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 2.959 18.518 11.115) 21.799 2.093 ( 2.654 23.745 4.015) 24.228 2.772 ( -7.564 4.999 -1.359) 9.169 3.027 ( 1.265 4.564 -2.251) 5.244 3.117 ( -2.295 -0.164 3.638) 4.304 3.183 ( 1.477 2.852 -1.510) 3.549 3.453 ( -1.500 0.664 2.839) 3.279 3.563 ( -2.048 0.399 -6.553) 6.877 3.703 ( 1.254 3.250 -0.070) 3.485 3.845 ( 2.289 -4.557 1.374) 5.282 4.504 ( -0.611 -7.850 3.709) 8.703 4.823 ( -1.964 -1.842 -3.529) 4.439 5.065 ( 4.884 7.388 2.174) 9.119 5.573 ( -1.070 0.281 -2.940) 3.141 5.625 ( -3.349 5.061 12.926) 14.280 6.347 ( 0.177 -1.151 1.270) 1.723 6.629 ( -0.607 4.215 -5.065) 6.617 6.937 ( 1.989 -5.477 -2.242) 6.243 8.251 ( -1.897 -0.780 4.234) 4.705 8.518 ( 1.078 -5.078 -2.755) 5.877 8.780 ( -0.282 -2.202 -1.261) 2.553 8.896 ( 0.767 -2.070 -2.484) 3.323 9.045 ( 0.387 3.106 -0.227) 3.138 9.160 ( -1.876 -1.492 0.227) 2.408 9.335 ( 1.129 3.582 -1.113) 3.917 9.476 ( -1.090 -0.188 0.201) 1.124 12.528 ( 0.464 2.523 1.706) 3.081 12.745 ( 0.557 1.633 -1.038) 2.013 12.831 ( -2.583 -2.366 0.587) 3.551 12.867 ( -0.456 0.574 -0.714) 1.023 13.394 ( 1.058 2.466 0.541) 2.737 13.589 ( -0.291 2.254 0.250) 2.286 13.765 ( 0.516 -3.285 1.348) 3.588 13.956 ( 0.884 -3.249 -1.368) 3.635 14.402 ( -2.710 2.828 2.867) 4.854 14.659 ( -0.062 -0.150 -2.979) 2.984 ======================= Grid point 234 (121/192) ======================= q-point: ( 0.00 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 1.298 15.045 7.271) 16.760 2.647 ( 4.282 4.911 -1.695) 6.733 2.748 ( -2.654 13.623 7.810) 15.925 3.022 ( -5.889 1.264 1.703) 6.259 3.151 ( -1.596 0.697 0.508) 1.814 3.267 ( 1.539 3.614 0.818) 4.013 3.426 ( -1.262 -1.716 -0.738) 2.254 3.514 ( -0.447 1.256 -3.789) 4.017 3.817 ( -0.515 4.766 2.340) 5.334 3.847 ( 3.647 -0.079 1.063) 3.799 4.401 ( 2.405 -4.321 -3.259) 5.923 4.760 ( 6.929 -5.689 -6.596) 11.130 5.301 ( 0.684 6.839 1.301) 6.995 5.525 ( -1.617 -0.295 3.886) 4.219 5.777 ( -3.558 7.507 8.246) 11.705 6.282 ( -1.424 -6.356 3.237) 7.274 6.657 ( -0.020 3.375 -3.153) 4.619 6.821 ( -1.956 -3.571 -2.532) 4.795 8.255 ( 1.318 -0.079 1.368) 1.901 8.434 ( 1.992 -4.066 -2.178) 5.024 8.724 ( -0.209 -1.001 0.041) 1.023 8.884 ( 2.388 -1.298 -2.713) 3.840 9.037 ( -1.762 -0.163 1.058) 2.062 9.150 ( 1.458 -0.713 -1.349) 2.111 9.394 ( -0.596 2.320 0.155) 2.400 9.438 ( -3.158 0.724 -0.157) 3.244 12.593 ( -0.143 1.828 2.354) 2.984 12.736 ( -2.514 -1.142 0.288) 2.776 12.765 ( 1.519 -0.409 -1.243) 2.005 12.857 ( 1.180 -0.917 -1.742) 2.295 13.504 ( 2.634 3.795 2.391) 5.202 13.631 ( -1.407 3.839 -1.099) 4.234 13.734 ( 1.424 -3.495 2.452) 4.500 13.874 ( -0.919 -3.974 -1.602) 4.382 14.435 ( -1.884 3.294 1.776) 4.190 14.613 ( 0.450 -2.217 -2.646) 3.481 ======================= Grid point 235 (122/192) ======================= q-point: ( 0.11 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 0.989 12.158 4.133) 12.879 2.555 ( -6.069 5.260 1.599) 8.189 2.845 ( -3.002 10.499 5.951) 12.436 2.932 ( -0.970 1.379 1.102) 2.015 3.080 ( -2.217 -2.051 -6.100) 6.807 3.306 ( -2.106 4.753 1.149) 5.324 3.387 ( -0.329 1.166 0.335) 1.257 3.495 ( 0.379 1.373 -1.317) 1.940 3.766 ( -5.311 0.891 1.145) 5.506 3.910 ( 0.296 0.127 2.896) 2.914 4.393 ( 1.756 -1.307 -8.107) 8.397 4.867 ( 7.968 -6.923 -4.360) 11.420 5.273 ( -2.195 4.403 -2.909) 5.715 5.501 ( -6.280 1.722 7.771) 10.139 5.827 ( 2.130 4.876 7.371) 9.091 6.305 ( -0.732 -7.482 6.786) 10.127 6.653 ( 2.940 3.809 -4.313) 6.462 6.752 ( -2.669 -1.362 -1.755) 3.473 8.330 ( 5.180 -0.377 1.065) 5.301 8.472 ( 3.388 -2.763 -2.228) 4.906 8.718 ( -0.045 0.124 -1.285) 1.292 8.895 ( 1.740 0.737 -3.542) 4.014 9.020 ( -0.890 -0.817 0.846) 1.475 9.175 ( 1.717 -1.320 -0.621) 2.253 9.369 ( -3.462 1.745 0.474) 3.906 9.400 ( 0.483 0.614 1.756) 1.922 12.610 ( -0.065 1.337 2.235) 2.605 12.709 ( -0.503 -0.020 0.395) 0.640 12.791 ( 2.286 -0.131 -1.546) 2.763 12.890 ( 3.389 -1.023 -1.363) 3.793 13.570 ( -1.453 3.239 -0.705) 3.619 13.588 ( 1.878 4.673 1.538) 5.265 13.765 ( -1.168 -3.186 0.979) 3.532 13.844 ( 0.061 -3.676 -1.086) 3.834 14.420 ( -1.299 3.423 2.351) 4.351 14.621 ( 2.429 -2.728 -2.297) 4.315 ======================= Grid point 236 (123/192) ======================= q-point: ( 0.22 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -4.005 9.168 -3.758) 10.688 2.478 ( -3.758 4.443 1.066) 5.916 2.794 ( -2.807 5.951 4.054) 7.728 2.973 ( 1.806 2.226 1.557) 3.262 3.001 ( -0.142 -2.794 -4.784) 5.542 3.221 ( -4.363 5.507 -0.738) 7.065 3.398 ( -0.305 2.314 0.043) 2.335 3.456 ( -5.295 1.574 -0.265) 5.530 3.678 ( -3.273 -2.817 0.786) 4.390 3.903 ( -3.793 -3.375 4.678) 6.904 4.360 ( 2.524 0.900 -8.895) 9.290 4.954 ( 5.336 -11.294 -7.732) 14.690 5.195 ( -2.302 2.447 -3.716) 5.009 5.436 ( -6.878 1.537 9.264) 11.640 5.939 ( 0.640 4.296 10.367) 11.240 6.343 ( -3.047 -5.945 10.587) 12.519 6.696 ( 2.713 1.546 -2.668) 4.107 6.716 ( 3.743 3.748 -5.547) 7.670 8.453 ( 5.956 -0.517 0.478) 5.997 8.510 ( 2.227 1.133 -2.215) 3.339 8.703 ( 1.382 -0.216 -4.796) 4.996 8.907 ( 2.050 -0.531 -2.767) 3.484 9.013 ( -0.037 0.500 -0.070) 0.506 9.198 ( 0.869 -2.127 0.045) 2.298 9.328 ( -1.790 3.695 2.316) 4.714 9.433 ( 0.614 -0.766 2.776) 2.944 12.632 ( 0.581 2.463 2.166) 3.331 12.717 ( 0.702 0.872 0.849) 1.405 12.823 ( 2.353 0.780 -2.214) 3.324 12.955 ( 3.920 -1.026 -0.961) 4.165 13.505 ( -2.502 3.338 -1.800) 4.544 13.659 ( 2.209 3.958 1.008) 4.643 13.713 ( -2.883 -3.429 -0.049) 4.480 13.854 ( 0.521 -2.264 -0.422) 2.361 14.425 ( -0.484 3.938 3.215) 5.107 14.665 ( 3.574 -3.076 -1.588) 4.976 ======================= Grid point 237 (124/192) ======================= q-point: ( 0.33 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -4.588 5.165 -9.347) 11.623 2.442 ( -0.329 0.408 -0.862) 1.008 2.810 ( 2.077 4.137 1.999) 5.043 2.998 ( 1.094 -1.233 -1.256) 2.073 3.048 ( 4.175 0.330 3.202) 5.271 3.151 ( -2.073 6.360 -0.859) 6.744 3.310 ( -8.184 -0.085 0.973) 8.242 3.375 ( -1.263 2.173 -1.726) 3.049 3.637 ( -2.239 -5.281 0.638) 5.771 3.857 ( -4.558 -4.914 4.610) 8.134 4.350 ( 2.693 1.413 -6.465) 7.145 4.954 ( 3.257 -13.330 -10.567) 17.319 5.158 ( 0.428 0.950 0.379) 1.109 5.387 ( -5.237 -1.054 6.884) 8.714 5.983 ( -6.542 5.531 13.265) 15.791 6.356 ( -4.954 -4.372 11.609) 13.357 6.712 ( 2.722 4.283 -3.212) 6.006 6.783 ( 6.553 3.364 -7.861) 10.773 8.492 ( -0.712 1.917 -0.763) 2.183 8.575 ( 5.101 3.002 -2.215) 6.320 8.699 ( 2.991 -2.465 -6.653) 7.699 8.918 ( 1.848 -3.091 -3.810) 5.243 9.028 ( 1.222 3.510 0.979) 3.843 9.210 ( -0.282 -1.179 1.200) 1.705 9.326 ( -0.722 3.519 2.460) 4.354 9.455 ( -0.688 -1.459 2.170) 2.704 12.659 ( 0.101 3.142 1.765) 3.605 12.752 ( 1.697 2.303 1.931) 3.451 12.842 ( 1.752 1.727 -3.027) 3.900 13.012 ( 2.543 -0.590 -1.065) 2.820 13.458 ( -0.927 2.970 -0.853) 3.226 13.633 ( -2.014 -1.532 -1.692) 3.044 13.727 ( 1.043 1.543 2.106) 2.812 13.848 ( -0.234 -1.588 -1.372) 2.112 14.454 ( 0.159 4.619 4.263) 6.288 14.721 ( 3.117 -2.864 -1.362) 4.447 ======================= Grid point 238 (125/192) ======================= q-point: (-0.56 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 2.210 -0.906 -6.359) 6.792 2.418 ( -1.134 -5.569 -4.137) 7.030 2.901 ( 5.452 2.832 -0.027) 6.144 2.989 ( -1.129 3.011 -0.888) 3.336 3.104 ( 1.097 3.302 -1.919) 3.974 3.173 ( 0.611 -1.362 2.923) 3.282 3.231 ( 0.735 2.485 6.441) 6.943 3.336 ( -0.725 1.524 -2.072) 2.673 3.608 ( -0.462 -5.456 -0.762) 5.528 3.804 ( -3.789 -3.782 2.072) 5.741 4.350 ( 1.055 0.122 -2.657) 2.862 4.932 ( 3.214 -12.550 -10.476) 16.661 5.216 ( 3.795 -1.878 2.364) 4.849 5.347 ( -3.087 -4.001 4.430) 6.720 5.907 ( -12.426 9.810 15.005) 21.813 6.342 ( -5.861 -3.940 11.110) 13.164 6.736 ( 2.854 5.640 -5.480) 8.365 6.823 ( 3.910 2.554 -6.980) 8.398 8.470 ( -0.236 3.368 -1.405) 3.656 8.609 ( 0.927 4.573 -4.586) 6.543 8.714 ( 3.241 -4.876 -4.637) 7.468 8.920 ( 1.619 -3.094 -4.294) 5.534 9.072 ( 2.096 4.220 1.738) 5.022 9.196 ( -2.171 1.436 1.035) 2.801 9.337 ( -0.163 1.283 2.302) 2.641 9.442 ( -1.847 -1.937 1.116) 2.900 12.660 ( -1.228 3.540 1.407) 4.003 12.804 ( 0.933 0.914 3.328) 3.575 12.844 ( 1.704 4.109 -4.041) 6.010 13.030 ( 0.489 0.156 -1.591) 1.671 13.461 ( 1.252 2.544 0.569) 2.892 13.589 ( -1.384 -0.604 -1.359) 2.032 13.749 ( -0.277 0.753 1.342) 1.563 13.832 ( 0.222 -1.851 -1.710) 2.529 14.495 ( 0.012 5.033 5.070) 7.144 14.755 ( 1.495 -2.136 -1.709) 3.118 ======================= Grid point 239 (126/192) ======================= q-point: (-0.44 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -0.284 -4.889 -2.120) 5.336 2.343 ( 1.569 -6.360 -6.635) 9.324 2.966 ( -1.784 7.529 0.426) 7.749 2.973 ( 2.843 1.966 -1.005) 3.600 3.134 ( 2.802 2.424 -2.067) 4.243 3.217 ( 4.268 -0.109 1.758) 4.617 3.323 ( 0.297 0.683 0.965) 1.219 3.375 ( 5.345 1.050 6.819) 8.728 3.598 ( 1.259 -4.148 -4.137) 5.992 3.749 ( -1.675 -1.322 -1.997) 2.923 4.348 ( -0.788 -3.362 1.485) 3.759 4.886 ( 1.358 -12.573 -12.832) 18.016 5.272 ( -1.715 -2.399 3.256) 4.393 5.393 ( 5.520 -6.920 1.041) 8.912 5.788 ( -12.652 16.029 18.820) 27.770 6.324 ( -4.667 -3.485 10.358) 11.883 6.725 ( 1.258 4.772 -5.991) 7.761 6.827 ( 1.712 1.777 -5.380) 5.919 8.468 ( 1.075 3.632 -1.253) 3.990 8.548 ( -2.625 4.767 -5.306) 7.601 8.734 ( 1.809 -5.546 -2.747) 6.448 8.898 ( -0.421 -3.573 -4.817) 6.012 9.116 ( -0.171 4.589 1.823) 4.941 9.184 ( 2.165 2.783 0.497) 3.561 9.346 ( -1.543 -0.152 2.670) 3.088 9.413 ( -1.339 -2.119 0.821) 2.638 12.641 ( -1.852 3.888 1.653) 4.613 12.813 ( -1.119 -1.238 0.070) 1.670 12.863 ( 1.748 5.492 -0.489) 5.784 13.010 ( -0.910 0.504 -2.016) 2.268 13.504 ( 2.049 1.938 1.214) 3.071 13.546 ( -1.826 1.389 -1.940) 3.004 13.747 ( -0.603 -0.186 0.929) 1.124 13.831 ( 0.818 -2.749 -1.218) 3.116 14.528 ( -1.064 4.899 5.066) 7.127 14.751 ( -0.160 -1.337 -2.118) 2.510 ======================= Grid point 240 (127/192) ======================= q-point: (-0.33 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -3.641 3.042 -3.223) 5.736 2.409 ( 4.954 -3.382 -1.874) 6.284 2.925 ( -1.409 9.062 0.099) 9.171 3.020 ( 1.651 1.213 1.047) 2.301 3.173 ( 3.400 3.967 -2.443) 5.768 3.265 ( -0.275 2.480 -2.952) 3.865 3.391 ( 1.975 -2.460 7.247) 7.904 3.505 ( 4.492 -3.713 -0.349) 5.838 3.618 ( 4.002 -0.898 -0.424) 4.123 3.710 ( 1.062 1.324 -6.105) 6.336 4.343 ( -1.453 -6.575 2.889) 7.327 4.783 ( 0.552 -13.164 -15.068) 20.016 5.234 ( -3.606 1.651 1.987) 4.436 5.496 ( 3.428 -7.010 0.709) 7.836 5.759 ( -7.185 17.671 20.063) 27.684 6.333 ( -3.037 -2.692 9.276) 10.125 6.716 ( 2.847 2.570 -4.641) 6.021 6.803 ( -0.040 0.610 -3.842) 3.890 8.431 ( -4.608 6.009 -3.356) 8.283 8.488 ( 0.844 0.993 -1.081) 1.694 8.744 ( 1.128 -5.965 -1.656) 6.292 8.829 ( -1.741 -4.223 -4.709) 6.561 9.124 ( 0.496 4.903 -0.023) 4.928 9.236 ( 0.114 0.745 0.321) 0.819 9.328 ( -0.506 1.004 2.309) 2.568 9.421 ( 0.653 -1.620 2.309) 2.895 12.618 ( -1.947 4.038 1.921) 4.877 12.784 ( -1.307 -0.382 -0.661) 1.514 12.882 ( -0.073 2.949 0.785) 3.052 12.964 ( -1.896 0.335 -2.331) 3.023 13.488 ( -2.091 2.529 -2.052) 3.870 13.551 ( 1.675 1.140 0.911) 2.221 13.742 ( -0.602 -0.518 0.609) 1.001 13.845 ( 1.410 -3.344 -0.570) 3.674 14.531 ( -2.447 4.418 3.894) 6.378 14.721 ( -1.038 -0.980 -2.059) 2.505 ======================= Grid point 241 (128/192) ======================= q-point: (-0.22 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( 4.937 13.090 1.380) 14.058 2.437 ( -0.880 6.810 0.314) 6.873 2.927 ( -0.123 4.826 0.207) 4.832 3.057 ( 1.535 2.540 1.963) 3.558 3.198 ( -3.915 2.069 -1.101) 4.563 3.223 ( 3.578 5.047 -2.742) 6.767 3.427 ( -1.024 -1.954 1.260) 2.541 3.579 ( 2.746 -9.016 0.476) 9.437 3.692 ( 3.741 4.393 -8.297) 10.106 3.719 ( 2.701 1.606 5.081) 5.975 4.346 ( -0.187 -7.068 1.925) 7.328 4.700 ( 4.370 -12.303 -15.188) 20.028 5.201 ( -1.791 6.902 4.391) 8.374 5.535 ( 0.028 -5.592 1.443) 5.775 5.792 ( -5.212 15.085 15.325) 22.127 6.333 ( -3.595 -2.175 6.026) 7.346 6.735 ( 1.334 2.054 -5.536) 6.053 6.797 ( 2.522 -2.503 -0.228) 3.561 8.323 ( -4.360 3.614 -0.878) 5.731 8.477 ( -1.052 -0.826 -1.589) 2.077 8.736 ( -0.543 -4.683 -0.951) 4.809 8.806 ( 2.545 -4.097 -2.802) 5.578 9.118 ( -0.590 2.796 -1.814) 3.385 9.187 ( -3.469 -0.895 0.373) 3.602 9.375 ( 2.144 3.049 1.211) 3.919 9.460 ( 0.783 -0.544 2.598) 2.767 12.597 ( -1.803 3.990 1.954) 4.795 12.758 ( -0.830 -0.552 -0.387) 1.069 12.865 ( -2.537 0.572 0.428) 2.635 12.907 ( -1.663 0.122 -2.163) 2.731 13.445 ( -0.720 3.066 -0.911) 3.279 13.588 ( 1.563 0.098 0.771) 1.745 13.732 ( -0.947 -0.294 0.482) 1.102 13.872 ( 1.528 -3.521 -0.441) 3.863 14.502 ( -2.956 3.935 2.343) 5.451 14.681 ( -1.330 -1.233 -1.902) 2.628 ======================= Grid point 242 (129/192) ======================= q-point: (-0.11 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 5.805 16.350 7.014) 18.714 2.461 ( 5.327 13.214 2.067) 14.396 2.863 ( -6.324 5.133 0.037) 8.145 3.095 ( -0.913 0.861 -0.806) 1.491 3.137 ( -2.024 2.448 5.237) 6.125 3.256 ( 1.649 4.680 -2.234) 5.442 3.427 ( 0.202 -2.930 1.510) 3.302 3.572 ( -1.352 -2.366 -4.351) 5.134 3.738 ( 5.832 1.665 -3.050) 6.789 3.797 ( 1.024 2.850 4.667) 5.563 4.369 ( 1.578 -5.990 0.324) 6.202 4.704 ( 6.839 -9.136 -11.826) 16.435 5.240 ( 1.647 8.431 4.661) 9.773 5.533 ( -1.457 -3.148 1.935) 3.972 5.794 ( -5.479 11.270 10.992) 16.669 6.303 ( -3.137 -3.732 3.388) 5.937 6.695 ( -0.724 2.682 -3.815) 4.720 6.844 ( 1.708 -4.106 -1.706) 4.763 8.257 ( -2.260 1.339 0.821) 2.752 8.439 ( -0.674 -3.239 -2.022) 3.877 8.727 ( -0.016 -2.576 -0.325) 2.596 8.847 ( 3.073 -3.357 -1.722) 4.866 9.075 ( -2.368 0.704 -0.427) 2.507 9.147 ( -0.313 -0.497 -1.064) 1.215 9.403 ( 0.194 3.323 -0.086) 3.330 9.476 ( -1.036 0.220 1.255) 1.642 12.585 ( -1.030 3.268 2.087) 4.012 12.750 ( 0.207 -1.430 -0.082) 1.447 12.800 ( -3.386 -0.202 -0.642) 3.452 12.869 ( -0.776 -0.587 -1.670) 1.933 13.451 ( 1.264 3.418 0.955) 3.768 13.627 ( 1.592 0.804 0.772) 1.943 13.716 ( -0.898 -0.993 0.741) 1.530 13.888 ( 0.544 -3.735 -0.866) 3.872 14.464 ( -2.493 3.527 1.623) 4.614 14.640 ( -0.980 -1.737 -2.276) 3.026 ======================= Grid point 243 (130/192) ======================= q-point: ( 0.00 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -0.138 8.730 4.634) 9.885 2.675 ( -0.390 -1.779 1.693) 2.487 2.938 ( -0.352 5.686 0.145) 5.698 3.017 ( -2.922 -2.578 -0.678) 3.955 3.222 ( -4.052 8.982 6.591) 11.855 3.331 ( 0.857 2.955 2.403) 3.904 3.387 ( -0.334 -2.507 2.062) 3.263 3.428 ( -0.366 -9.332 4.275) 10.271 3.886 ( -2.317 3.867 2.427) 5.120 3.919 ( 0.492 2.224 0.725) 2.391 4.401 ( 8.571 5.994 -10.415) 14.761 4.591 ( 10.010 -11.148 -11.687) 19.002 5.420 ( 0.063 5.432 1.421) 5.615 5.500 ( 0.771 -2.713 1.822) 3.357 5.950 ( -5.951 9.974 8.676) 14.497 6.135 ( -4.422 -8.909 5.836) 11.532 6.711 ( -0.397 2.504 -1.862) 3.146 6.761 ( -1.227 -2.814 -1.433) 3.388 8.279 ( 1.995 2.785 -1.979) 3.956 8.353 ( 2.278 -4.426 -3.174) 5.903 8.745 ( 0.685 3.062 1.797) 3.616 8.822 ( 1.848 -4.391 0.896) 4.848 9.064 ( -0.471 2.471 -1.080) 2.737 9.115 ( 0.819 -2.583 -1.678) 3.188 9.433 ( -1.959 1.542 0.433) 2.531 9.447 ( -2.634 -0.006 0.306) 2.652 12.634 ( -1.058 2.482 1.924) 3.313 12.686 ( -1.461 -2.886 1.530) 3.578 12.791 ( 1.169 1.931 -2.176) 3.136 12.829 ( 1.299 -1.875 -2.110) 3.108 13.581 ( 2.719 4.132 2.514) 5.549 13.657 ( 2.705 -3.529 2.312) 5.012 13.715 ( -1.977 3.872 -1.017) 4.465 13.795 ( -1.307 -4.240 -1.383) 4.647 14.499 ( -1.294 3.375 0.292) 3.627 14.562 ( -0.489 -3.075 -1.291) 3.370 ======================= Grid point 244 (131/192) ======================= q-point: ( 0.11 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( -1.994 5.115 3.257) 6.383 2.625 ( -4.915 1.357 1.497) 5.314 2.939 ( -1.058 0.324 0.782) 1.355 2.957 ( -2.815 -0.337 1.303) 3.120 3.138 ( -5.958 9.082 1.392) 10.950 3.298 ( -7.004 -5.836 3.341) 9.710 3.433 ( 3.362 4.055 2.966) 6.045 3.500 ( 2.789 -2.066 1.281) 3.700 3.805 ( -7.417 3.846 1.055) 8.421 3.888 ( -5.100 -3.404 2.331) 6.560 4.459 ( 6.902 8.710 -12.826) 16.971 4.675 ( 8.129 -12.056 -11.812) 18.734 5.384 ( -3.638 6.501 -1.054) 7.524 5.489 ( -3.706 -3.589 1.441) 5.356 5.962 ( -1.237 8.971 11.697) 14.792 6.143 ( -1.477 -9.287 9.985) 13.716 6.703 ( 1.559 1.793 -2.352) 3.343 6.730 ( -0.046 -1.099 -1.475) 1.840 8.345 ( 6.180 2.189 -2.202) 6.916 8.408 ( 5.882 -3.842 -3.816) 7.995 8.762 ( -0.110 4.131 0.705) 4.192 8.850 ( 0.758 -4.386 -0.547) 4.484 9.054 ( 0.293 3.377 -0.898) 3.507 9.123 ( 1.199 -3.552 -1.370) 3.991 9.400 ( -2.305 1.243 1.710) 3.128 9.410 ( -1.222 0.153 1.837) 2.211 12.642 ( 0.218 1.988 2.042) 2.858 12.683 ( -0.101 -2.136 1.715) 2.742 12.817 ( 3.124 2.181 -2.348) 4.475 12.859 ( 3.401 -2.055 -1.974) 4.437 13.634 ( -1.319 3.467 -0.019) 3.710 13.680 ( 1.198 4.541 0.964) 4.794 13.702 ( -0.974 -3.191 0.080) 3.338 13.769 ( 1.003 -4.272 -0.266) 4.396 14.489 ( -0.187 3.702 0.846) 3.802 14.559 ( 1.193 -3.559 -0.810) 3.840 ======================= Grid point 245 (132/192) ======================= q-point: ( 0.22 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( -5.788 3.157 -2.845) 7.181 2.532 ( -5.051 1.281 -0.765) 5.267 2.909 ( -2.563 4.173 4.609) 6.725 2.951 ( 0.439 -1.411 1.005) 1.787 3.057 ( -3.030 6.354 1.625) 7.224 3.192 ( -6.310 -6.061 3.976) 9.611 3.478 ( -0.431 3.964 -0.949) 4.098 3.518 ( -1.455 1.812 -2.412) 3.349 3.650 ( -7.807 2.479 1.694) 8.365 3.782 ( -7.284 -8.444 3.967) 11.836 4.468 ( 5.226 10.062 -12.762) 17.071 4.705 ( 5.539 -13.625 -13.008) 19.635 5.289 ( -4.520 6.381 -0.960) 7.878 5.405 ( -5.511 -4.715 1.610) 7.429 6.057 ( -1.421 7.789 14.853) 16.831 6.211 ( -2.338 -7.773 13.714) 15.936 6.729 ( 3.127 1.952 -2.444) 4.423 6.753 ( 4.538 -0.002 -4.007) 6.054 8.459 ( 6.591 1.420 -2.298) 7.123 8.498 ( 6.576 -2.146 -4.563) 8.287 8.749 ( -0.246 4.532 -2.556) 5.209 8.844 ( 0.431 -4.806 -3.083) 5.726 9.066 ( 1.184 3.836 0.487) 4.044 9.140 ( 1.188 -3.713 0.025) 3.899 9.387 ( -1.215 2.361 3.026) 4.026 9.418 ( -0.536 -1.013 3.258) 3.454 12.674 ( 1.128 2.039 2.227) 3.223 12.709 ( 1.035 -1.441 2.186) 2.815 12.864 ( 3.681 2.981 -2.779) 5.492 12.919 ( 4.112 -2.552 -1.800) 5.164 13.571 ( -2.788 3.577 -1.676) 4.835 13.641 ( -3.027 -3.639 -1.528) 4.974 13.739 ( 2.152 3.832 1.212) 4.559 13.804 ( 1.370 -2.972 0.272) 3.284 14.507 ( 0.899 4.524 1.843) 4.967 14.593 ( 2.457 -4.318 0.124) 4.969 ======================= Grid point 246 (133/192) ======================= q-point: ( 0.33 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( -6.953 4.921 -8.063) 11.729 2.416 ( -4.637 -3.069 -4.364) 7.069 2.925 ( 0.269 6.398 4.683) 7.934 2.987 ( 1.577 -0.518 1.633) 2.328 3.058 ( 1.032 1.421 3.014) 3.489 3.136 ( -2.930 -5.068 4.678) 7.493 3.369 ( -6.923 5.047 -0.584) 8.587 3.453 ( -2.432 0.603 -3.313) 4.154 3.565 ( -3.258 1.668 1.960) 4.152 3.706 ( -4.220 -9.410 4.148) 11.116 4.465 ( 4.433 9.921 -10.945) 15.423 4.695 ( 4.580 -13.371 -12.391) 18.797 5.216 ( -2.625 4.681 0.905) 5.442 5.318 ( -4.697 -5.323 1.853) 7.337 6.116 ( -5.787 7.674 15.886) 18.567 6.253 ( -5.231 -6.386 14.245) 16.464 6.782 ( 4.425 2.946 -3.763) 6.513 6.814 ( 5.268 -0.195 -5.860) 7.882 8.530 ( 2.524 2.373 -2.437) 4.235 8.581 ( 5.400 -2.546 -4.483) 7.465 8.725 ( 1.344 4.983 -5.163) 7.300 8.831 ( 1.795 -5.423 -4.819) 7.474 9.104 ( 1.617 3.879 1.764) 4.558 9.170 ( 1.080 -2.892 1.498) 3.432 9.386 ( -1.557 2.605 2.633) 4.018 9.426 ( -1.475 -1.645 2.745) 3.524 12.710 ( 0.564 2.414 1.846) 3.091 12.750 ( 0.908 -1.608 2.497) 3.106 12.910 ( 3.414 4.236 -2.923) 6.176 12.979 ( 3.278 -2.784 -1.717) 4.631 13.518 ( -1.314 3.287 -0.856) 3.642 13.581 ( -1.740 -3.214 -1.018) 3.794 13.773 ( 0.776 2.544 0.124) 2.662 13.815 ( 0.126 -1.890 -0.931) 2.111 14.550 ( 1.346 5.296 2.861) 6.168 14.648 ( 2.482 -4.692 0.802) 5.368 ======================= Grid point 247 (134/192) ======================= q-point: (-0.56 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -2.007 4.146 -7.896) 9.142 2.289 ( -3.159 -7.169 -7.101) 10.573 2.986 ( 2.494 4.672 2.011) 5.665 3.021 ( 0.683 0.787 1.553) 1.870 3.114 ( 1.615 -0.431 2.838) 3.294 3.147 ( 0.575 -3.039 1.651) 3.506 3.309 ( -0.230 6.529 6.354) 9.113 3.401 ( -0.382 0.754 -1.605) 1.814 3.538 ( -0.815 0.753 0.959) 1.467 3.665 ( -3.171 -9.230 3.171) 10.262 4.452 ( 2.435 9.811 -9.329) 13.756 4.682 ( 3.655 -13.249 -11.415) 17.866 5.210 ( 0.771 1.278 2.203) 2.661 5.263 ( -2.404 -4.014 2.345) 5.233 6.098 ( -8.850 9.239 15.594) 20.170 6.246 ( -6.766 -6.265 13.323) 16.203 6.819 ( 2.778 2.916 -5.298) 6.655 6.847 ( 3.142 -0.076 -6.220) 6.969 8.536 ( 0.761 3.806 -2.445) 4.587 8.619 ( 2.232 -4.812 -4.004) 6.646 8.717 ( 1.912 6.207 -5.812) 8.716 8.833 ( 2.190 -5.580 -5.438) 8.094 9.150 ( 1.343 3.462 2.292) 4.363 9.196 ( 0.024 -1.317 2.022) 2.413 9.369 ( -1.851 1.858 1.729) 3.141 9.405 ( -2.361 -1.906 1.646) 3.452 12.722 ( -0.735 3.042 1.567) 3.500 12.775 ( -0.365 -2.398 2.006) 3.148 12.945 ( 2.323 4.628 -2.546) 5.770 13.010 ( 1.390 -2.234 -1.932) 3.264 13.511 ( 0.699 2.661 0.335) 2.772 13.559 ( -0.150 -2.228 -0.307) 2.254 13.773 ( -0.454 1.506 -0.553) 1.668 13.801 ( -0.300 -1.481 -1.548) 2.163 14.597 ( 0.656 5.407 3.403) 6.422 14.692 ( 1.201 -4.305 0.889) 4.557 ======================= Grid point 248 (135/192) ======================= q-point: (-0.44 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 2.129 1.484 -5.148) 5.765 2.215 ( 2.969 -6.354 -6.968) 9.887 3.029 ( 0.456 2.687 1.994) 3.377 3.043 ( -0.329 1.339 2.023) 2.448 3.174 ( 3.819 1.168 -1.311) 4.203 3.196 ( 3.868 -1.390 1.932) 4.542 3.389 ( -0.142 4.349 -2.096) 4.830 3.413 ( 2.767 2.172 5.859) 6.834 3.550 ( 1.782 0.475 0.307) 1.870 3.658 ( -0.086 -7.838 5.039) 9.319 4.398 ( -0.388 8.710 -8.491) 12.170 4.628 ( 0.674 -13.803 -12.546) 18.665 5.251 ( 0.537 0.371 2.464) 2.549 5.289 ( 3.425 -3.707 1.964) 5.416 6.054 ( -8.278 11.476 16.157) 21.478 6.227 ( -5.744 -6.815 12.924) 15.699 6.801 ( 0.508 3.046 -5.826) 6.594 6.837 ( 0.896 -0.689 -5.570) 5.683 8.533 ( 0.806 3.946 -1.809) 4.415 8.624 ( 1.660 -5.066 -3.128) 6.181 8.674 ( -1.980 6.737 -5.521) 8.933 8.803 ( -0.891 -6.132 -5.699) 8.419 9.192 ( 0.660 2.875 2.034) 3.582 9.216 ( 1.314 0.345 1.398) 1.949 9.350 ( -1.775 0.632 2.066) 2.797 9.374 ( -1.592 -1.832 1.543) 2.876 12.712 ( -1.631 3.475 1.803) 4.241 12.771 ( -1.382 -2.723 1.613) 3.454 12.954 ( 0.585 3.652 -2.028) 4.218 13.002 ( -0.438 -1.397 -2.175) 2.622 13.538 ( 1.218 1.517 0.436) 1.993 13.557 ( -0.004 -0.310 -0.788) 0.847 13.755 ( -0.657 1.065 -0.360) 1.302 13.785 ( -0.075 -2.000 -1.129) 2.298 14.623 ( -0.846 4.833 3.212) 5.864 14.705 ( -0.535 -3.464 0.555) 3.549 ======================= Grid point 249 (136/192) ======================= q-point: (-0.33 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 5.492 6.691 -3.253) 9.247 2.302 ( 8.733 -7.213 -2.952) 11.705 3.036 ( -1.831 2.903 2.020) 3.982 3.051 ( -0.252 1.066 2.981) 3.176 3.245 ( 3.997 3.093 -0.482) 5.077 3.294 ( 3.214 -1.329 -0.505) 3.515 3.361 ( -0.686 1.794 0.734) 2.056 3.428 ( -0.577 -4.084 -3.844) 5.638 3.651 ( 4.475 4.114 6.430) 8.849 3.729 ( 3.195 -1.889 2.348) 4.392 4.316 ( -0.508 5.457 -7.925) 9.636 4.520 ( 0.395 -13.682 -14.367) 19.843 5.281 ( 0.881 3.562 1.379) 3.920 5.371 ( 3.090 -5.798 0.997) 6.645 6.054 ( -5.841 12.689 16.451) 21.581 6.241 ( -3.936 -7.122 12.580) 14.983 6.764 ( 0.620 2.364 -4.596) 5.205 6.799 ( -0.227 -1.093 -4.683) 4.814 8.516 ( -2.563 3.778 -2.084) 5.019 8.565 ( -4.051 3.716 -3.234) 6.378 8.641 ( 2.143 -2.463 -2.129) 3.898 8.727 ( -1.063 -6.239 -4.789) 7.936 9.198 ( -0.913 2.730 -0.350) 2.900 9.232 ( -1.763 -0.982 -0.118) 2.021 9.357 ( 1.395 1.747 3.086) 3.811 9.390 ( 1.201 -1.664 3.196) 3.799 12.692 ( -1.999 3.586 2.175) 4.647 12.752 ( -1.845 -2.582 1.502) 3.511 12.934 ( -1.212 2.089 -1.551) 2.871 12.961 ( -1.838 -0.763 -2.352) 3.081 13.533 ( -0.964 2.057 -1.506) 2.725 13.559 ( 0.534 -0.521 -0.462) 0.877 13.748 ( -0.069 1.240 0.329) 1.285 13.787 ( 0.806 -2.646 -0.109) 2.769 14.615 ( -2.289 4.162 2.265) 5.262 14.683 ( -1.792 -2.865 0.091) 3.380 ======================= Grid point 250 (137/192) ======================= q-point: (-0.22 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 9.843 11.077 0.365) 14.823 2.457 ( 7.582 -4.109 0.015) 8.623 3.012 ( -2.016 4.034 1.291) 4.690 3.068 ( -0.380 -1.438 2.824) 3.192 3.253 ( -3.372 3.564 -1.204) 5.052 3.299 ( 0.958 1.341 0.206) 1.660 3.378 ( -0.631 -2.078 -1.509) 2.644 3.421 ( 0.828 -5.854 4.498) 7.429 3.777 ( 3.539 4.346 4.123) 6.958 3.806 ( 4.178 3.335 -0.464) 5.365 4.277 ( 3.254 2.453 -7.212) 8.283 4.451 ( 5.605 -13.007 -14.902) 20.559 5.314 ( 1.575 5.577 1.622) 6.018 5.424 ( 1.793 -5.883 0.933) 6.220 6.064 ( -6.369 12.359 13.327) 19.259 6.249 ( -5.199 -6.912 9.484) 12.835 6.758 ( 1.109 0.582 -3.684) 3.891 6.768 ( 0.825 -0.765 -2.078) 2.363 8.401 ( -5.198 4.334 -2.714) 7.292 8.467 ( -4.409 -1.619 -2.433) 5.290 8.672 ( 2.095 -0.512 -0.324) 2.181 8.721 ( 2.633 -4.400 -1.728) 5.411 9.154 ( -2.508 1.218 -1.509) 3.170 9.172 ( -2.869 -0.776 -0.794) 3.077 9.423 ( 2.095 1.958 2.313) 3.684 9.449 ( 1.544 -0.813 2.901) 3.385 12.670 ( -2.125 3.511 2.285) 4.698 12.728 ( -1.846 -2.408 1.468) 3.370 12.881 ( -2.760 1.014 -1.784) 3.440 12.900 ( -2.209 -0.835 -2.298) 3.296 13.508 ( -0.228 3.329 -0.688) 3.407 13.565 ( 0.668 -2.378 -0.145) 2.475 13.753 ( -0.010 2.268 0.460) 2.314 13.807 ( 0.964 -3.195 0.089) 3.339 14.577 ( -2.794 3.796 1.068) 4.833 14.642 ( -2.239 -2.821 -0.457) 3.630 ======================= Grid point 251 (138/192) ======================= q-point: (-0.11 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 6.068 9.938 3.361) 12.120 2.589 ( 5.986 0.602 1.684) 6.248 2.972 ( -2.507 5.906 -0.233) 6.420 3.068 ( -1.181 -3.513 -0.768) 3.784 3.205 ( -2.859 5.129 6.459) 8.729 3.315 ( 1.199 -2.334 2.055) 3.333 3.360 ( -1.525 -0.116 0.691) 1.678 3.446 ( -2.267 -7.048 4.690) 8.765 3.858 ( 3.464 5.634 0.001) 6.614 3.879 ( 2.291 3.984 1.783) 4.930 4.319 ( 7.022 3.084 -7.897) 11.008 4.494 ( 10.026 -12.158 -13.394) 20.682 5.371 ( 2.456 5.602 2.253) 6.518 5.463 ( 1.308 -4.131 1.578) 4.612 6.017 ( -7.630 11.099 9.430) 16.442 6.197 ( -6.212 -7.465 6.110) 11.474 6.737 ( -0.319 1.979 -2.241) 3.007 6.780 ( 0.720 -2.661 -1.483) 3.131 8.303 ( -2.557 3.454 -2.053) 4.762 8.377 ( -2.134 -3.725 -2.680) 5.061 8.712 ( 1.512 1.410 1.003) 2.298 8.771 ( 2.723 -4.151 0.271) 4.972 9.095 ( -1.989 1.493 -1.085) 2.713 9.127 ( -0.820 -1.575 -1.512) 2.332 9.455 ( -0.281 1.984 0.724) 2.131 9.477 ( -0.666 -0.408 1.287) 1.505 12.648 ( -1.921 3.232 2.097) 4.305 12.706 ( -1.691 -2.765 1.518) 3.579 12.815 ( -1.796 1.381 -2.159) 3.130 12.846 ( -1.168 -1.644 -2.212) 2.993 13.522 ( 1.549 3.911 1.151) 4.361 13.594 ( 1.962 -3.364 1.296) 4.105 13.748 ( -0.835 3.261 -0.151) 3.369 13.816 ( -0.010 -3.751 -0.470) 3.780 14.532 ( -2.278 3.528 0.337) 4.213 14.595 ( -1.791 -2.938 -1.059) 3.600 ======================= Grid point 297 (139/192) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -10.302 0.000 17.983) 20.725 2.153 ( 22.405 0.000 8.067) 23.813 2.394 ( -12.977 0.000 13.477) 18.710 2.748 ( 3.706 0.000 -13.359) 13.863 3.053 ( 5.117 0.000 4.474) 6.797 3.147 ( -10.843 0.000 -6.880) 12.842 3.306 ( -4.268 0.000 7.315) 8.469 3.342 ( 2.484 0.000 2.112) 3.261 3.742 ( 5.507 0.000 -1.059) 5.608 3.752 ( -4.764 0.000 -1.104) 4.890 4.773 ( 0.208 0.000 10.920) 10.922 4.913 ( -8.759 0.000 3.153) 9.309 5.060 ( 8.891 0.000 -3.980) 9.742 5.172 ( 5.961 0.000 -16.097) 17.165 5.760 ( -1.854 0.000 9.460) 9.640 5.989 ( 1.788 0.000 -13.181) 13.302 6.716 ( 2.396 0.000 9.875) 10.161 6.909 ( -4.867 0.000 -8.709) 9.977 8.541 ( -0.585 0.000 7.173) 7.197 8.651 ( -2.003 0.000 -2.025) 2.848 8.748 ( 0.131 0.000 -0.297) 0.325 8.792 ( 2.434 0.000 -3.325) 4.121 9.074 ( -1.564 0.000 1.214) 1.980 9.113 ( 0.429 0.000 -2.370) 2.409 9.293 ( 4.249 0.000 1.722) 4.585 9.349 ( -3.283 0.000 -3.425) 4.744 12.596 ( 4.114 0.000 1.222) 4.292 12.614 ( -2.816 0.000 -0.644) 2.889 12.883 ( 0.526 0.000 1.529) 1.617 12.907 ( -1.205 0.000 -0.731) 1.410 13.379 ( 3.302 0.000 1.899) 3.809 13.425 ( -3.337 0.000 -2.280) 4.041 13.931 ( -0.690 0.000 2.141) 2.250 13.984 ( 0.547 0.000 -2.787) 2.840 14.450 ( -4.706 0.000 5.473) 7.218 14.551 ( 4.123 0.000 -4.137) 5.841 ======================= Grid point 298 (140/192) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -9.169 0.000 1.765) 9.338 2.255 ( -4.817 0.000 4.347) 6.488 2.603 ( 14.740 0.000 5.119) 15.603 2.734 ( 4.927 0.000 -11.200) 12.236 2.930 ( -6.901 0.000 0.857) 6.954 3.219 ( 4.749 0.000 4.596) 6.609 3.307 ( 0.730 0.000 5.677) 5.723 3.414 ( 2.343 0.000 3.200) 3.966 3.648 ( -4.024 0.000 -2.394) 4.682 3.853 ( 5.865 0.000 0.039) 5.865 4.798 ( -6.257 0.000 5.454) 8.300 4.897 ( 3.225 0.000 11.263) 11.716 5.182 ( 11.460 0.000 -22.726) 25.452 5.206 ( 9.587 0.000 -4.458) 10.573 5.799 ( -2.911 0.000 9.711) 10.138 5.927 ( 2.326 0.000 -10.863) 11.109 6.724 ( -7.353 0.000 -6.837) 10.040 6.826 ( -0.352 0.000 11.413) 11.419 8.586 ( -0.948 0.000 6.694) 6.760 8.600 ( -1.710 0.000 -0.570) 1.802 8.733 ( -0.646 0.000 -2.777) 2.851 8.792 ( 0.291 0.000 -2.783) 2.798 9.067 ( -1.089 0.000 2.071) 2.340 9.113 ( 1.053 0.000 -0.669) 1.247 9.262 ( -1.988 0.000 -3.462) 3.992 9.388 ( 3.678 0.000 1.515) 3.977 12.521 ( -5.382 0.000 -1.558) 5.603 12.652 ( 1.162 0.000 -0.721) 1.368 12.881 ( -0.798 0.000 -0.078) 0.802 12.908 ( 0.430 0.000 1.521) 1.580 13.347 ( -2.563 0.000 -2.172) 3.360 13.460 ( 3.090 0.000 2.031) 3.698 13.929 ( -1.474 0.000 2.709) 3.084 13.968 ( 0.002 0.000 -2.451) 2.451 14.408 ( -4.090 0.000 5.570) 6.910 14.599 ( 4.127 0.000 -4.235) 5.913 ======================= Grid point 299 (141/192) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 2.882 0.000 -8.282) 8.769 2.258 ( 0.862 0.000 6.065) 6.126 2.749 ( -1.401 0.000 6.137) 6.295 2.869 ( 11.907 0.000 -1.776) 12.038 2.905 ( 4.090 0.000 -2.984) 5.063 3.248 ( -0.267 0.000 -0.948) 0.985 3.427 ( 3.281 0.000 5.334) 6.262 3.476 ( 0.064 0.000 5.904) 5.904 3.569 ( -1.761 0.000 -2.719) 3.240 3.943 ( 4.173 0.000 -3.336) 5.343 4.774 ( -2.067 0.000 8.814) 9.053 5.066 ( 4.225 0.000 11.059) 11.839 5.251 ( 17.380 0.000 -28.350) 33.254 5.360 ( 10.102 0.000 -4.479) 11.050 5.780 ( -7.410 0.000 9.035) 11.686 5.906 ( 3.145 0.000 -7.872) 8.477 6.527 ( -7.756 0.000 -4.370) 8.903 6.865 ( -5.432 0.000 10.132) 11.496 8.587 ( 0.055 0.000 1.572) 1.573 8.602 ( -2.547 0.000 5.016) 5.626 8.677 ( -1.477 0.000 -5.329) 5.530 8.771 ( -0.780 0.000 -0.616) 0.994 9.040 ( -2.352 0.000 -0.354) 2.378 9.136 ( 1.040 0.000 0.153) 1.051 9.244 ( 1.787 0.000 -0.373) 1.826 9.451 ( 1.917 0.000 0.487) 1.978 12.403 ( -5.204 0.000 -0.827) 5.269 12.630 ( -1.539 0.000 -2.962) 3.338 12.878 ( -0.012 0.000 0.728) 0.728 12.917 ( -0.523 0.000 0.875) 1.020 13.300 ( -0.703 0.000 -1.222) 1.410 13.517 ( 1.150 0.000 0.975) 1.508 13.920 ( -1.967 0.000 3.311) 3.851 13.949 ( 0.120 0.000 -2.004) 2.008 14.389 ( -2.680 0.000 6.085) 6.649 14.635 ( 3.270 0.000 -4.848) 5.848 ======================= Grid point 300 (142/192) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 18.399 0.000 0.052) 18.399 2.372 ( 5.806 0.000 4.264) 7.203 2.770 ( -4.975 0.000 13.748) 14.620 2.996 ( 7.754 0.000 -4.770) 9.104 3.036 ( 5.886 0.000 -0.862) 5.949 3.218 ( -1.486 0.000 -2.773) 3.146 3.496 ( 1.987 0.000 0.488) 2.046 3.500 ( -2.606 0.000 5.099) 5.726 3.553 ( 1.437 0.000 0.972) 1.735 3.952 ( 1.475 0.000 -7.512) 7.655 4.856 ( 1.583 0.000 11.693) 11.800 5.211 ( 1.205 0.000 9.554) 9.630 5.398 ( 22.432 0.000 -30.487) 37.850 5.520 ( 9.655 0.000 -3.583) 10.298 5.656 ( -12.159 0.000 7.589) 14.333 5.895 ( 0.065 0.000 -4.692) 4.692 6.381 ( -3.405 0.000 -2.537) 4.246 6.762 ( -12.114 0.000 6.531) 13.762 8.568 ( -3.907 0.000 2.673) 4.733 8.580 ( -3.929 0.000 1.003) 4.055 8.648 ( 4.832 0.000 -4.313) 6.477 8.756 ( -1.395 0.000 1.834) 2.304 8.997 ( -0.806 0.000 -1.278) 1.511 9.137 ( -0.966 0.000 -0.804) 1.257 9.301 ( 2.984 0.000 1.476) 3.330 9.471 ( 0.322 0.000 -0.592) 0.673 12.326 ( -2.574 0.000 1.194) 2.837 12.560 ( -2.319 0.000 -4.227) 4.821 12.886 ( 0.066 0.000 0.857) 0.860 12.908 ( -0.725 0.000 0.428) 0.842 13.299 ( 1.072 0.000 -0.083) 1.075 13.511 ( -1.780 0.000 -0.904) 1.996 13.910 ( -1.936 0.000 3.718) 4.192 13.946 ( 1.036 0.000 -1.548) 1.863 14.403 ( -1.404 0.000 6.727) 6.872 14.644 ( 2.040 0.000 -5.635) 5.993 ======================= Grid point 301 (143/192) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 14.462 0.000 4.847) 15.253 2.511 ( 5.137 0.000 -0.370) 5.150 2.799 ( -2.619 0.000 15.363) 15.584 3.042 ( -7.829 0.000 5.382) 9.500 3.096 ( 5.403 0.000 -3.789) 6.599 3.163 ( 0.676 0.000 -6.844) 6.877 3.486 ( -0.901 0.000 1.276) 1.562 3.537 ( 4.443 0.000 -5.140) 6.794 3.618 ( 1.818 0.000 5.998) 6.267 3.888 ( -0.609 0.000 -9.648) 9.667 5.007 ( 2.870 0.000 13.260) 13.567 5.226 ( -11.278 0.000 14.289) 18.203 5.453 ( -11.162 0.000 1.383) 11.247 5.609 ( 23.239 0.000 -28.751) 36.968 5.671 ( 8.211 0.000 -2.635) 8.624 5.808 ( -5.939 0.000 -1.355) 6.092 6.390 ( 6.272 0.000 -1.607) 6.475 6.534 ( -14.191 0.000 3.742) 14.677 8.511 ( -3.439 0.000 1.874) 3.917 8.518 ( -2.024 0.000 -0.092) 2.026 8.729 ( 5.677 0.000 -2.578) 6.235 8.738 ( -2.311 0.000 2.338) 3.288 8.999 ( 1.742 0.000 -0.325) 1.772 9.085 ( -3.028 0.000 -1.834) 3.540 9.371 ( 2.765 0.000 1.655) 3.222 9.456 ( -0.925 0.000 -1.482) 1.747 12.325 ( 0.571 0.000 3.093) 3.145 12.479 ( -2.025 0.000 -4.876) 5.279 12.893 ( -0.025 0.000 0.789) 0.789 12.901 ( -0.341 0.000 0.350) 0.489 13.338 ( 2.633 0.000 0.717) 2.729 13.446 ( -3.184 0.000 -2.180) 3.859 13.906 ( -1.612 0.000 3.763) 4.094 13.959 ( 1.488 0.000 -1.713) 2.269 14.439 ( -0.915 0.000 7.232) 7.289 14.624 ( 0.928 0.000 -6.230) 6.299 ======================= Grid point 302 (144/192) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -6.204 0.000 7.289) 9.572 2.448 ( -11.470 0.000 -7.070) 13.474 2.931 ( -5.346 0.000 6.224) 8.204 2.966 ( 6.347 0.000 10.394) 12.179 3.108 ( -0.677 0.000 -7.396) 7.427 3.125 ( 0.217 0.000 -2.241) 2.251 3.500 ( 2.542 0.000 -1.419) 2.911 3.575 ( 4.405 0.000 -7.768) 8.931 3.708 ( 1.563 0.000 7.308) 7.474 3.779 ( -2.494 0.000 -8.872) 9.216 5.001 ( -26.145 0.000 26.062) 36.916 5.157 ( 1.139 0.000 12.455) 12.507 5.277 ( -4.138 0.000 -10.518) 11.303 5.623 ( -7.621 0.000 -2.476) 8.013 5.778 ( 2.674 0.000 1.562) 3.097 5.843 ( 18.341 0.000 -22.299) 28.873 6.343 ( -6.867 0.000 2.810) 7.420 6.581 ( 13.479 0.000 -0.592) 13.492 8.478 ( -2.334 0.000 3.736) 4.405 8.514 ( 1.195 0.000 1.178) 1.678 8.705 ( -1.777 0.000 -0.149) 1.783 8.803 ( 3.788 0.000 -3.458) 5.129 9.013 ( -2.157 0.000 -1.551) 2.657 9.052 ( 2.930 0.000 1.203) 3.168 9.413 ( -1.974 0.000 -2.223) 2.973 9.429 ( 1.996 0.000 1.077) 2.269 12.387 ( 2.585 0.000 3.813) 4.607 12.408 ( -1.053 0.000 -4.734) 4.849 12.898 ( -0.353 0.000 0.296) 0.461 12.898 ( 0.003 0.000 0.649) 0.649 13.370 ( -2.480 0.000 -2.296) 3.380 13.410 ( 3.904 0.000 1.144) 4.068 13.906 ( -1.474 0.000 3.291) 3.606 13.971 ( 1.459 0.000 -2.317) 2.738 14.479 ( -1.205 0.000 7.429) 7.526 14.583 ( 0.328 0.000 -6.407) 6.415 ======================= Grid point 303 (145/192) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -25.139 0.000 -6.466) 25.957 2.299 ( -13.406 0.000 11.146) 17.434 2.895 ( -5.504 0.000 4.754) 7.273 3.030 ( 0.794 0.000 -9.859) 9.891 3.033 ( -3.731 0.000 -1.669) 4.088 3.160 ( 3.754 0.000 2.808) 4.688 3.545 ( 3.184 0.000 -3.543) 4.764 3.553 ( -3.106 0.000 -2.800) 4.182 3.675 ( -0.385 0.000 -6.872) 6.883 3.790 ( 0.564 0.000 7.405) 7.426 4.745 ( -21.377 0.000 28.398) 35.545 5.108 ( -3.364 0.000 -12.021) 12.482 5.232 ( -3.134 0.000 9.639) 10.136 5.450 ( -7.472 0.000 -2.327) 7.826 5.793 ( -3.696 0.000 5.644) 6.746 5.985 ( 13.661 0.000 -19.509) 23.817 6.329 ( 2.436 0.000 2.578) 3.547 6.849 ( 13.541 0.000 -1.708) 13.649 8.476 ( -2.605 0.000 6.838) 7.318 8.577 ( 3.722 0.000 1.522) 4.022 8.682 ( 1.268 0.000 -3.439) 3.666 8.805 ( -0.546 0.000 -2.718) 2.772 9.000 ( 1.953 0.000 -1.528) 2.480 9.114 ( 1.828 0.000 1.454) 2.336 9.347 ( -2.579 0.000 -2.709) 3.740 9.463 ( 0.919 0.000 0.145) 0.930 12.372 ( 0.966 0.000 -3.228) 3.370 12.477 ( 3.399 0.000 3.556) 4.919 12.891 ( -0.542 0.000 0.275) 0.608 12.907 ( 0.470 0.000 0.530) 0.709 13.317 ( -1.232 0.000 -1.755) 2.144 13.493 ( 3.283 0.000 0.799) 3.379 13.903 ( -1.230 0.000 2.574) 2.853 13.979 ( 1.566 0.000 -2.760) 3.173 14.508 ( -2.036 0.000 7.196) 7.479 14.539 ( 0.537 0.000 -6.123) 6.146 ======================= Grid point 304 (146/192) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -16.005 0.000 7.580) 17.709 2.134 ( -14.342 0.000 16.136) 21.589 2.769 ( -9.923 0.000 2.795) 10.309 2.921 ( -4.014 0.000 -5.233) 6.595 2.989 ( 1.801 0.000 -7.524) 7.737 3.229 ( 2.257 0.000 0.554) 2.324 3.435 ( -10.239 0.000 9.462) 13.942 3.532 ( -1.375 0.000 -5.109) 5.291 3.650 ( 3.054 0.000 -7.405) 8.010 3.843 ( -0.958 0.000 5.571) 5.653 4.658 ( -9.796 0.000 22.987) 24.987 4.976 ( -0.284 0.000 -10.142) 10.146 5.190 ( -8.056 0.000 7.407) 10.944 5.310 ( -3.015 0.000 -7.058) 7.675 5.757 ( -4.894 0.000 7.343) 8.824 6.054 ( 8.516 0.000 -16.239) 18.336 6.439 ( 5.122 0.000 4.395) 6.749 7.027 ( 7.045 0.000 -5.214) 8.764 8.482 ( -2.725 0.000 7.697) 8.165 8.659 ( 3.458 0.000 -0.173) 3.462 8.704 ( 3.939 0.000 -4.075) 5.667 8.768 ( -1.427 0.000 -0.520) 1.519 9.045 ( 3.638 0.000 -1.348) 3.879 9.134 ( -0.573 0.000 0.435) 0.719 9.275 ( -2.337 0.000 -2.697) 3.568 9.465 ( -0.448 0.000 -0.933) 1.035 12.401 ( 3.620 0.000 -0.695) 3.686 12.568 ( 3.107 0.000 2.735) 4.139 12.882 ( -0.683 0.000 0.321) 0.754 12.923 ( 0.681 0.000 0.271) 0.733 13.295 ( 0.082 0.000 -0.741) 0.745 13.532 ( 0.311 0.000 -0.395) 0.503 13.906 ( -0.342 0.000 2.115) 2.143 13.987 ( 1.609 0.000 -2.936) 3.348 14.511 ( 1.617 0.000 -5.454) 5.689 14.514 ( -3.181 0.000 6.579) 7.308 ======================= Grid point 305 (147/192) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 11.864 0.000 21.138) 24.240 2.025 ( -12.166 0.000 20.455) 23.800 2.579 ( -12.571 0.000 5.220) 13.612 2.812 ( -0.741 0.000 -9.292) 9.321 2.980 ( 1.928 0.000 -2.207) 2.931 3.273 ( 2.458 0.000 -0.818) 2.590 3.344 ( -8.173 0.000 12.144) 14.639 3.401 ( -7.439 0.000 -5.485) 9.242 3.670 ( 4.312 0.000 -4.840) 6.482 3.832 ( -3.389 0.000 1.971) 3.920 4.699 ( -3.147 0.000 15.207) 15.529 4.954 ( 5.297 0.000 -6.329) 8.253 5.064 ( -9.433 0.000 4.405) 10.411 5.215 ( 1.140 0.000 -11.428) 11.485 5.737 ( -3.478 0.000 8.334) 9.031 6.050 ( 4.074 0.000 -14.414) 14.979 6.580 ( 4.324 0.000 7.154) 8.359 7.034 ( -0.168 0.000 -8.338) 8.340 8.501 ( -1.504 0.000 7.242) 7.396 8.689 ( 0.531 0.000 -2.374) 2.433 8.748 ( -0.721 0.000 0.812) 1.086 8.754 ( 4.024 0.000 -3.315) 5.214 9.106 ( 2.953 0.000 -1.519) 3.321 9.107 ( -1.979 0.000 0.012) 1.979 9.232 ( 0.415 0.000 -0.829) 0.927 9.427 ( -2.183 0.000 -2.231) 3.121 12.491 ( 5.069 0.000 1.223) 5.215 12.629 ( 0.996 0.000 1.277) 1.619 12.873 ( -0.447 0.000 0.722) 0.849 12.928 ( -0.287 0.000 -0.385) 0.480 13.314 ( 1.978 0.000 0.768) 2.122 13.500 ( -2.449 0.000 -1.620) 2.937 13.920 ( -0.033 0.000 1.943) 1.944 13.991 ( 1.208 0.000 -2.960) 3.198 14.493 ( -4.261 0.000 5.879) 7.261 14.515 ( 3.106 0.000 -4.644) 5.587 ======================= Grid point 306 (148/192) ======================= q-point: ( 0.00 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( -7.595 -1.622 19.471) 20.963 2.181 ( 18.822 2.638 2.249) 19.139 2.441 ( -10.870 4.956 14.582) 18.851 2.776 ( 2.428 2.891 -11.277) 11.893 3.084 ( 4.409 2.870 3.337) 6.230 3.172 ( -9.878 2.326 -5.886) 11.731 3.282 ( -2.309 -1.149 5.299) 5.893 3.375 ( 1.708 1.611 -0.533) 2.408 3.716 ( 1.287 -0.815 1.933) 2.461 3.783 ( -0.259 1.929 -3.750) 4.225 4.769 ( -5.472 -1.258 8.686) 10.343 4.892 ( 0.234 -2.120 1.938) 2.882 5.052 ( 3.844 1.240 -0.115) 4.041 5.247 ( 6.389 6.061 -13.345) 15.989 5.782 ( -2.463 2.158 10.216) 10.728 6.025 ( 2.368 3.564 -13.544) 14.204 6.708 ( 2.145 -0.779 9.506) 9.776 6.893 ( -4.572 -1.652 -8.222) 9.552 8.506 ( -1.105 -3.071 6.555) 7.323 8.624 ( 0.938 -2.962 -4.595) 5.547 8.747 ( -1.564 0.850 2.268) 2.883 8.814 ( 1.281 0.774 -3.413) 3.727 9.066 ( -0.223 -0.209 2.267) 2.288 9.123 ( -0.414 0.576 -3.290) 3.366 9.294 ( 3.393 0.355 2.259) 4.092 9.357 ( -2.521 0.718 -3.592) 4.447 12.598 ( 3.701 0.318 1.644) 4.062 12.626 ( -2.713 1.104 -1.079) 3.122 12.875 ( 0.610 -0.749 1.339) 1.651 12.897 ( -1.034 -1.053 -0.719) 1.642 13.392 ( 3.113 1.389 1.996) 3.950 13.439 ( -3.130 1.448 -2.264) 4.126 13.922 ( -0.440 -0.910 2.162) 2.386 13.975 ( 0.354 -0.955 -2.736) 2.919 14.447 ( -4.159 -0.260 5.676) 7.042 14.555 ( 3.619 0.274 -4.522) 5.798 ======================= Grid point 307 (149/192) ======================= q-point: ( 0.11 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -7.424 3.562 4.117) 9.206 2.251 ( -1.898 -0.403 -2.894) 3.484 2.597 ( 8.745 0.597 8.218) 12.016 2.750 ( 3.757 1.940 -9.652) 10.537 2.960 ( -6.516 2.705 0.766) 7.097 3.240 ( 1.953 1.075 1.937) 2.953 3.284 ( 2.365 -1.400 7.908) 8.372 3.447 ( 4.473 2.501 0.514) 5.151 3.657 ( -3.941 1.163 -2.080) 4.606 3.844 ( 4.907 -0.445 -0.677) 4.973 4.711 ( -5.192 -6.928 5.353) 10.179 4.947 ( 1.504 4.274 8.368) 9.516 5.171 ( 9.767 -2.271 -5.953) 11.662 5.296 ( 10.628 8.539 -15.288) 20.484 5.814 ( -3.619 1.463 10.488) 11.191 5.969 ( 2.890 4.337 -11.768) 12.870 6.714 ( -6.958 -0.982 -5.563) 8.963 6.818 ( -0.250 -0.917 10.113) 10.157 8.524 ( -1.913 -3.610 4.496) 6.075 8.612 ( 1.522 -1.855 -3.454) 4.206 8.725 ( -2.747 0.695 2.528) 3.797 8.811 ( 0.814 0.696 -2.606) 2.818 9.073 ( -1.003 0.316 0.809) 1.327 9.114 ( 1.254 0.529 -0.214) 1.378 9.264 ( -2.302 0.254 -2.695) 3.554 9.394 ( 3.686 0.617 1.130) 3.905 12.531 ( -5.027 1.048 -1.633) 5.389 12.660 ( 1.207 0.714 -0.112) 1.407 12.873 ( -0.721 -0.794 -0.174) 1.086 12.903 ( 0.893 -0.498 1.150) 1.539 13.363 ( -2.509 1.663 -2.168) 3.709 13.472 ( 3.012 1.223 2.043) 3.839 13.921 ( -1.597 -0.939 2.249) 2.914 13.956 ( -0.148 -1.144 -2.086) 2.384 14.411 ( -3.823 0.357 5.428) 6.649 14.599 ( 4.220 -0.069 -4.216) 5.965 ======================= Grid point 308 (150/192) ======================= q-point: ( 0.22 0.09 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 1.821 5.128 -7.451) 9.226 2.249 ( 2.417 -0.780 1.889) 3.165 2.758 ( -0.713 1.062 4.876) 5.041 2.805 ( 9.591 -4.465 -0.162) 10.581 2.923 ( 2.236 1.206 -2.413) 3.504 3.233 ( -0.355 -1.847 -1.018) 2.139 3.418 ( 1.192 -0.519 8.748) 8.844 3.532 ( 2.632 4.077 2.227) 5.339 3.573 ( -2.373 0.909 -2.851) 3.819 3.910 ( 3.138 -2.420 -3.131) 5.051 4.695 ( -1.458 -7.264 7.471) 10.521 5.068 ( 4.828 2.095 5.338) 7.497 5.314 ( 10.472 -4.316 -7.680) 13.685 5.402 ( 12.678 10.633 -15.060) 22.374 5.793 ( -6.697 1.952 8.594) 11.069 5.950 ( 3.451 4.618 -8.531) 10.297 6.535 ( -6.981 0.782 -3.749) 7.963 6.853 ( -5.082 -1.305 9.381) 10.749 8.518 ( -1.895 -3.563 3.525) 5.358 8.610 ( 1.304 -3.281 -5.208) 6.292 8.694 ( -2.922 3.380 4.418) 6.283 8.799 ( -0.081 1.755 -1.743) 2.474 9.040 ( -1.998 -0.324 -1.325) 2.420 9.139 ( 0.538 0.831 0.529) 1.123 9.245 ( 1.670 0.012 -0.006) 1.670 9.456 ( 1.950 0.517 0.347) 2.047 12.424 ( -4.430 2.191 -0.929) 5.028 12.644 ( -1.576 1.286 -2.155) 2.964 12.868 ( -0.091 -0.789 0.605) 0.998 12.923 ( 0.300 0.439 0.531) 0.751 13.316 ( -0.795 1.576 -1.269) 2.174 13.529 ( 1.195 1.184 0.968) 1.941 13.902 ( -1.778 -1.829 1.967) 3.221 13.939 ( -0.375 -0.938 -0.791) 1.283 14.396 ( -2.360 0.695 5.716) 6.222 14.638 ( 3.395 0.315 -4.587) 5.715 ======================= Grid point 309 (151/192) ======================= q-point: ( 0.33 0.09 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 16.586 1.993 -0.017) 16.706 2.359 ( 6.462 -1.072 2.218) 6.915 2.775 ( -4.959 0.911 11.553) 12.605 2.962 ( 7.648 -6.579 -5.219) 11.358 2.987 ( 6.260 -1.221 -1.880) 6.649 3.212 ( -0.738 -0.596 -2.035) 2.245 3.477 ( -2.193 -1.219 8.771) 9.123 3.522 ( 0.177 0.318 -3.505) 3.524 3.574 ( -0.097 2.761 2.405) 3.663 3.910 ( 0.928 -3.519 -6.473) 7.426 4.776 ( 1.838 -7.338 10.711) 13.113 5.202 ( 5.074 0.174 1.915) 5.426 5.443 ( 9.424 -6.314 -9.400) 14.733 5.517 ( 5.611 5.448 -3.050) 8.394 5.717 ( -0.811 8.424 -4.514) 9.591 5.933 ( -1.418 3.913 -3.438) 5.398 6.411 ( -2.227 2.967 -2.487) 4.466 6.759 ( -11.016 -0.524 6.050) 12.579 8.495 ( -3.456 -3.868 3.114) 6.050 8.579 ( -0.197 -2.681 -4.744) 5.453 8.696 ( 0.543 4.817 2.545) 5.475 8.789 ( -0.285 2.290 0.238) 2.319 8.995 ( -0.898 -0.289 -1.597) 1.855 9.133 ( -1.198 -0.100 -0.789) 1.438 9.303 ( 2.908 0.188 1.733) 3.390 9.476 ( 0.303 0.435 -0.700) 0.878 12.360 ( -1.871 3.532 0.896) 4.096 12.580 ( -2.365 1.951 -3.362) 4.550 12.875 ( 0.202 -0.660 0.790) 1.049 12.924 ( -0.371 1.187 0.107) 1.248 13.313 ( 1.045 1.408 -0.088) 1.756 13.524 ( -1.711 1.283 -0.903) 2.321 13.892 ( -1.360 -1.854 2.897) 3.698 13.932 ( 0.402 -1.315 -0.789) 1.585 14.412 ( -1.138 0.972 6.383) 6.556 14.651 ( 2.085 0.708 -5.410) 5.842 ======================= Grid point 310 (152/192) ======================= q-point: ( 0.44 0.09 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 14.554 -0.335 4.894) 15.359 2.495 ( 4.944 -1.378 0.397) 5.148 2.755 ( -6.025 -2.585 11.664) 13.380 3.013 ( 2.438 -5.371 -8.207) 10.107 3.076 ( 2.523 -0.993 1.804) 3.256 3.176 ( -0.664 1.450 -2.575) 3.029 3.468 ( -3.769 -1.279 5.039) 6.422 3.543 ( 4.804 -0.045 -4.863) 6.836 3.599 ( 0.532 -1.371 5.104) 5.311 3.849 ( -0.644 -3.665 -8.596) 9.366 4.916 ( 1.566 -7.660 13.326) 15.450 5.259 ( 0.134 -1.139 -1.750) 2.092 5.415 ( -12.403 0.955 11.050) 16.639 5.605 ( 6.175 -4.204 -0.383) 7.480 5.787 ( 14.390 12.170 -22.796) 29.577 5.809 ( -5.283 1.299 -1.479) 5.638 6.432 ( 5.785 3.979 -1.594) 7.200 6.557 ( -12.348 2.050 3.392) 12.968 8.453 ( -2.900 -3.442 3.051) 5.438 8.528 ( -1.292 -1.038 -2.862) 3.308 8.749 ( 1.716 3.203 1.758) 4.037 8.788 ( 0.877 3.281 -0.566) 3.443 8.992 ( 1.683 -0.585 -0.527) 1.858 9.078 ( -3.084 -0.562 -1.942) 3.688 9.372 ( 2.537 0.128 1.934) 3.193 9.460 ( -0.899 0.320 -1.584) 1.849 12.366 ( 0.873 4.184 2.633) 5.020 12.505 ( -2.085 2.575 -4.094) 5.267 12.889 ( 0.437 -0.180 0.882) 1.000 12.913 ( -0.645 1.036 -0.010) 1.220 13.352 ( 2.602 1.420 0.797) 3.069 13.460 ( -3.136 1.412 -2.149) 4.055 13.892 ( -1.488 -1.462 3.592) 4.154 13.941 ( 1.424 -1.725 -1.606) 2.753 14.450 ( -0.808 1.158 7.051) 7.191 14.632 ( 0.958 0.887 -6.174) 6.311 ======================= Grid point 311 (153/192) ======================= q-point: (-0.44 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -7.889 -0.763 6.813) 10.452 2.450 ( -10.658 -0.069 -7.009) 12.756 2.790 ( 0.512 -7.901 9.658) 12.489 2.996 ( 4.576 -3.801 -7.548) 9.610 3.105 ( -2.015 1.954 0.714) 2.896 3.139 ( -0.413 0.233 -0.958) 1.069 3.446 ( -0.824 -2.622 2.183) 3.510 3.608 ( 6.235 1.397 -7.114) 9.563 3.680 ( 2.165 -2.858 6.995) 7.860 3.756 ( -1.258 -2.453 -8.545) 8.978 4.985 ( -9.970 -4.012 18.035) 20.995 5.180 ( -4.277 -3.201 -6.597) 8.489 5.280 ( -10.401 7.948 16.162) 20.798 5.583 ( -10.763 -3.956 -0.793) 11.494 5.711 ( 5.935 -3.503 -3.357) 7.665 5.978 ( 16.111 9.908 -18.634) 26.551 6.381 ( -6.940 3.604 3.162) 8.435 6.600 ( 11.526 1.913 -0.624) 11.701 8.440 ( -1.851 -2.793 4.742) 5.806 8.506 ( 1.190 -1.366 -1.497) 2.350 8.746 ( -1.507 3.833 0.718) 4.181 8.832 ( 3.184 2.740 -3.124) 5.235 8.999 ( -2.373 -1.340 -0.882) 2.865 9.049 ( 3.188 -0.134 0.444) 3.221 9.409 ( -1.717 -0.230 -0.744) 1.885 9.436 ( 1.515 0.472 -0.050) 1.587 12.419 ( 0.734 3.153 1.639) 3.629 12.445 ( 0.592 3.811 -2.440) 4.563 12.895 ( -0.796 0.038 0.522) 0.953 12.908 ( 0.348 0.698 0.277) 0.828 13.382 ( -2.526 1.312 -1.953) 3.452 13.425 ( 3.727 1.447 0.976) 4.116 13.890 ( -1.574 -1.603 3.096) 3.825 13.956 ( 1.618 -1.548 -2.227) 3.158 14.487 ( -1.529 0.907 7.119) 7.338 14.595 ( 0.629 1.158 -6.230) 6.367 ======================= Grid point 312 (154/192) ======================= q-point: (-0.33 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -23.606 1.688 -6.587) 24.566 2.253 ( -15.352 -3.810 11.531) 19.575 2.848 ( -1.762 -4.322 4.442) 6.443 3.006 ( 1.585 -2.463 -8.477) 8.969 3.010 ( -3.480 -0.966 -3.906) 5.320 3.171 ( 1.697 0.635 1.763) 2.528 3.469 ( 1.014 -1.918 1.074) 2.421 3.643 ( 2.207 1.748 -5.502) 6.181 3.666 ( -1.631 -0.063 -5.653) 5.884 3.779 ( 2.421 -0.852 4.626) 5.290 4.858 ( -17.537 7.592 23.994) 30.674 5.020 ( -4.782 -5.209 -8.352) 10.943 5.250 ( -7.320 -0.303 11.947) 14.015 5.416 ( -4.458 -1.325 -3.009) 5.539 5.773 ( 0.855 -1.836 1.903) 2.779 6.071 ( 8.436 7.840 -15.843) 19.586 6.362 ( 2.259 3.091 2.100) 4.367 6.835 ( 12.154 -1.339 -1.279) 12.295 8.448 ( -2.288 -2.409 6.697) 7.476 8.545 ( 3.387 -2.609 -1.177) 4.435 8.738 ( 1.558 4.718 -1.613) 5.223 8.823 ( -1.186 1.741 -2.475) 3.250 8.988 ( 1.655 -1.389 -0.844) 2.320 9.115 ( 2.432 0.434 0.878) 2.622 9.346 ( -2.863 -0.110 -2.197) 3.610 9.466 ( 0.926 0.258 0.174) 0.977 12.396 ( 0.406 2.486 -2.422) 3.495 12.515 ( 3.343 3.681 2.666) 5.642 12.883 ( -0.534 -0.427 0.093) 0.690 12.917 ( 0.089 0.635 0.642) 0.907 13.329 ( -1.336 1.229 -1.569) 2.399 13.505 ( 3.119 1.155 0.869) 3.438 13.883 ( -1.254 -1.935 2.267) 3.234 13.968 ( 1.687 -1.179 -2.574) 3.295 14.495 ( -2.276 -0.516 3.710) 4.383 14.568 ( 0.600 2.262 -2.790) 3.642 ======================= Grid point 313 (155/192) ======================= q-point: (-0.22 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -13.510 6.092 7.391) 16.561 2.062 ( -15.437 -5.491 17.033) 23.634 2.777 ( -7.997 0.800 2.063) 8.298 2.893 ( -2.084 -1.590 -6.101) 6.640 2.999 ( 2.998 0.835 -7.098) 7.751 3.212 ( 1.551 -1.617 0.752) 2.363 3.468 ( -4.250 2.228 4.812) 6.796 3.574 ( -4.515 3.997 -2.905) 6.693 3.630 ( 1.980 -2.514 -5.940) 6.747 3.840 ( 0.581 0.242 2.592) 2.667 4.769 ( -10.080 8.611 20.864) 24.719 4.890 ( -1.730 -5.564 -7.205) 9.266 5.169 ( -8.502 -4.474 7.956) 12.474 5.336 ( -1.229 4.140 -5.718) 7.166 5.776 ( -3.806 1.409 6.929) 8.030 6.089 ( 6.930 3.785 -15.435) 17.337 6.458 ( 4.540 1.919 3.613) 6.111 7.001 ( 6.625 -2.649 -4.586) 8.482 8.458 ( -2.514 -2.280 7.251) 8.006 8.598 ( 3.419 -3.837 -2.509) 5.719 8.769 ( 1.341 2.025 -2.560) 3.529 8.789 ( 0.678 4.120 -0.412) 4.196 9.023 ( 2.106 -2.271 -0.229) 3.106 9.149 ( 1.008 1.691 -0.326) 1.996 9.271 ( -2.778 -0.372 -2.160) 3.538 9.469 ( -0.419 0.366 -0.866) 1.030 12.417 ( 2.966 1.731 -0.339) 3.451 12.597 ( 2.928 2.801 2.113) 4.570 12.874 ( -0.509 -0.610 0.051) 0.796 12.922 ( -0.073 -0.167 0.506) 0.537 13.308 ( 0.122 1.307 -0.551) 1.424 13.542 ( 0.223 0.991 -0.276) 1.053 13.885 ( -0.126 -2.022 1.893) 2.772 13.979 ( 1.638 -0.868 -2.734) 3.303 14.476 ( -1.401 -1.369 1.267) 2.333 14.560 ( -0.450 2.497 -0.337) 2.559 ======================= Grid point 314 (156/192) ======================= q-point: (-0.11 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 11.329 7.787 19.402) 23.779 1.958 ( -10.956 -4.543 20.932) 24.059 2.605 ( -11.069 2.507 3.275) 11.813 2.827 ( 0.883 1.598 -8.628) 8.819 3.011 ( 2.959 2.679 -3.072) 5.037 3.250 ( 1.359 -1.924 1.976) 3.074 3.388 ( -8.692 3.659 5.281) 10.809 3.430 ( -5.807 2.345 -4.637) 7.792 3.651 ( 3.685 -1.529 -2.405) 4.658 3.838 ( -1.793 0.972 -0.226) 2.052 4.780 ( -6.029 7.125 15.730) 18.290 4.852 ( 4.156 -7.511 -6.318) 10.658 5.072 ( -6.819 -1.381 5.710) 9.001 5.268 ( 1.446 5.431 -10.044) 11.510 5.762 ( -3.768 2.443 8.890) 9.960 6.078 ( 4.352 2.838 -14.526) 15.427 6.583 ( 3.810 0.298 6.684) 7.699 7.010 ( -0.126 -2.430 -7.713) 8.087 8.475 ( -1.573 -2.480 6.828) 7.433 8.630 ( 2.207 -4.202 -3.587) 5.949 8.756 ( -0.834 0.661 0.815) 1.340 8.813 ( 1.878 3.871 -3.161) 5.339 9.054 ( 0.379 -2.707 1.189) 2.980 9.157 ( 0.459 2.610 -2.686) 3.774 9.228 ( 0.512 -0.341 0.357) 0.711 9.432 ( -2.106 0.474 -2.255) 3.122 12.498 ( 4.598 0.777 1.414) 4.873 12.649 ( 0.739 1.922 0.769) 2.198 12.865 ( -0.455 -0.711 0.586) 1.027 12.918 ( -0.566 -1.036 -0.254) 1.207 13.329 ( 1.940 1.489 0.907) 2.608 13.511 ( -2.359 1.107 -1.535) 3.024 13.905 ( 0.347 -1.585 1.912) 2.507 13.984 ( 1.121 -0.741 -2.807) 3.112 14.466 ( -1.802 -1.430 3.481) 4.173 14.545 ( 0.411 1.836 -2.467) 3.103 ======================= Grid point 315 (157/192) ======================= q-point: ( 0.00 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -3.237 7.031 16.762) 18.463 2.253 ( 11.072 5.265 -6.198) 13.738 2.577 ( -5.499 8.795 15.973) 19.046 2.852 ( 0.584 4.763 -7.281) 8.720 3.146 ( 1.827 3.038 2.585) 4.387 3.211 ( -4.608 1.123 0.994) 4.846 3.283 ( -4.456 1.439 -3.441) 5.811 3.376 ( 3.505 -1.032 -5.051) 6.234 3.730 ( 1.321 2.411 4.431) 5.214 3.827 ( -0.183 2.632 -4.312) 5.054 4.702 ( -9.821 -5.589 5.846) 12.723 4.830 ( 9.398 -4.372 -3.853) 11.057 5.137 ( -2.433 6.966 8.927) 11.582 5.365 ( 6.134 5.786 -10.176) 13.216 5.836 ( -4.217 3.420 12.212) 13.365 6.112 ( 3.975 5.071 -13.987) 15.400 6.687 ( 1.154 -1.370 8.461) 8.649 6.850 ( -3.552 -2.752 -7.056) 8.365 8.442 ( -1.144 -3.424 5.856) 6.879 8.551 ( 2.010 -4.381 -4.626) 6.681 8.769 ( -0.155 1.023 0.684) 1.240 8.802 ( -1.516 -1.777 -2.083) 3.129 9.079 ( 1.492 1.358 2.217) 2.998 9.128 ( -1.341 -0.068 -2.456) 2.799 9.313 ( 2.847 1.620 1.972) 3.823 9.371 ( -2.378 0.789 -3.312) 4.153 12.608 ( 2.925 0.695 2.354) 3.818 12.651 ( -2.634 1.426 -1.781) 3.485 12.859 ( 0.963 -0.991 0.517) 1.476 12.868 ( -0.874 -1.824 -0.357) 2.054 13.430 ( 2.848 2.488 2.193) 4.372 13.477 ( -2.767 2.438 -2.130) 4.259 13.895 ( 0.229 -1.959 2.295) 3.026 13.947 ( -0.186 -1.991 -2.611) 3.289 14.446 ( -3.176 0.305 5.616) 6.459 14.559 ( 2.716 0.138 -4.983) 5.677 ======================= Grid point 316 (158/192) ======================= q-point: ( 0.11 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -4.682 8.402 5.573) 11.117 2.260 ( 1.895 2.350 -11.108) 11.511 2.658 ( -0.693 5.774 10.481) 11.987 2.811 ( 1.882 4.135 -6.723) 8.114 3.024 ( -6.613 3.943 0.611) 7.724 3.196 ( -3.458 -4.309 1.598) 5.751 3.309 ( 4.916 2.650 5.004) 7.499 3.477 ( 6.882 0.445 -1.315) 7.021 3.703 ( -3.384 3.355 -1.425) 4.973 3.855 ( 3.135 1.731 -0.798) 3.669 4.573 ( -6.521 -7.175 4.317) 10.613 5.003 ( 8.766 -1.262 -0.123) 8.857 5.139 ( 0.044 1.169 0.196) 1.186 5.455 ( 9.602 7.097 -8.108) 14.433 5.855 ( -4.218 2.875 12.123) 13.153 6.085 ( 4.992 7.418 -13.426) 16.131 6.688 ( -5.946 -1.724 -2.018) 6.511 6.790 ( -0.250 -1.922 6.578) 6.858 8.462 ( -1.021 -2.740 3.931) 4.899 8.551 ( 2.006 -3.844 -5.101) 6.695 8.735 ( -2.337 -0.606 1.591) 2.891 8.814 ( 1.435 0.240 0.736) 1.631 9.066 ( -1.643 -0.820 -1.873) 2.623 9.147 ( 2.357 2.439 1.511) 3.713 9.275 ( -3.052 1.048 -2.029) 3.812 9.408 ( 3.504 0.745 1.050) 3.733 12.561 ( -3.905 2.087 -1.571) 4.698 12.674 ( 1.105 0.597 1.000) 1.605 12.853 ( -0.332 -1.396 -0.152) 1.443 12.893 ( 2.019 -0.504 0.194) 2.090 13.406 ( -2.438 2.678 -2.177) 4.226 13.506 ( 2.838 2.287 1.996) 4.155 13.890 ( -2.066 -2.318 0.584) 3.159 13.928 ( -0.184 -1.760 -0.628) 1.877 14.423 ( -3.138 0.927 4.878) 5.874 14.596 ( 4.337 -0.191 -3.918) 5.848 ======================= Grid point 317 (159/192) ======================= q-point: ( 0.22 0.18 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -1.187 7.603 -6.343) 9.973 2.249 ( 5.042 1.555 -5.898) 7.914 2.738 ( 2.300 -0.576 4.659) 5.227 2.819 ( 1.647 4.207 0.848) 4.596 2.953 ( -1.325 2.140 -0.424) 2.553 3.174 ( -0.198 -4.121 0.976) 4.239 3.405 ( 0.038 -0.726 6.569) 6.610 3.546 ( -0.774 -1.287 0.129) 1.507 3.655 ( 0.768 5.388 -1.564) 5.663 3.882 ( 0.691 -0.306 -2.142) 2.272 4.542 ( -0.937 -7.993 5.836) 9.941 5.123 ( 2.438 2.518 3.750) 5.133 5.185 ( 8.304 -8.838 -9.855) 15.627 5.560 ( 3.958 4.628 -1.037) 6.178 5.879 ( -0.309 6.942 5.856) 9.087 6.084 ( 5.073 9.387 -11.591) 15.755 6.554 ( -5.171 1.153 -2.064) 5.686 6.812 ( -4.383 -3.010 7.576) 9.255 8.465 ( -1.585 -1.786 2.666) 3.579 8.540 ( 1.358 -3.455 -5.220) 6.406 8.729 ( -0.013 -0.712 2.380) 2.484 8.839 ( -0.129 2.882 1.547) 3.273 9.017 ( -1.132 -1.830 -3.098) 3.772 9.186 ( -0.946 3.980 0.995) 4.210 9.243 ( 1.806 -0.328 0.371) 1.872 9.467 ( 1.837 0.555 0.395) 1.959 12.485 ( -2.481 4.178 -1.055) 4.972 12.670 ( -1.409 1.272 -0.369) 1.934 12.853 ( 0.167 -0.804 0.516) 0.969 12.932 ( 1.823 0.563 -0.398) 1.949 13.355 ( -1.030 2.470 -1.394) 3.017 13.560 ( 1.246 2.068 0.770) 2.534 13.852 ( -1.636 -3.244 0.392) 3.655 13.916 ( -1.020 -1.424 0.452) 1.809 14.416 ( -1.604 1.402 4.841) 5.289 14.646 ( 3.671 0.364 -3.791) 5.290 ======================= Grid point 318 (160/192) ======================= q-point: ( 0.33 0.18 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 11.655 1.506 -1.040) 11.797 2.350 ( 8.065 0.634 -2.228) 8.391 2.814 ( 0.617 0.026 3.880) 3.929 2.835 ( -0.321 -1.290 0.356) 1.376 2.975 ( 4.302 -0.255 -2.112) 4.799 3.192 ( 1.489 -1.500 -0.396) 2.150 3.433 ( -2.596 -3.147 7.692) 8.707 3.499 ( -2.748 -2.562 0.644) 3.812 3.658 ( -0.644 5.015 -0.905) 5.136 3.845 ( -1.370 -2.972 -4.923) 5.912 4.619 ( 2.207 -8.452 8.842) 12.429 5.188 ( 2.824 -3.961 -4.875) 6.887 5.271 ( 8.239 -8.735 -4.072) 12.679 5.577 ( -4.986 1.209 9.168) 10.506 5.943 ( 4.809 11.434 -3.245) 12.822 6.058 ( 0.636 10.354 -9.919) 14.352 6.482 ( 0.074 4.065 -2.131) 4.590 6.737 ( -8.450 -1.833 5.194) 10.087 8.436 ( -3.140 -2.070 2.022) 4.270 8.527 ( 1.213 -2.387 -4.833) 5.525 8.764 ( 1.625 0.394 1.787) 2.448 8.840 ( -0.641 4.425 1.831) 4.831 8.979 ( -0.036 -1.522 -2.869) 3.248 9.152 ( -2.455 2.309 -0.530) 3.411 9.307 ( 2.878 0.294 2.047) 3.544 9.484 ( 0.126 0.341 -0.712) 0.800 12.455 ( -0.233 6.184 0.193) 6.192 12.626 ( -2.143 2.662 -1.366) 3.680 12.866 ( 0.496 -0.362 1.017) 1.188 12.948 ( 0.442 1.389 -0.983) 1.758 13.348 ( 0.946 2.173 -0.081) 2.372 13.556 ( -1.546 1.935 -1.062) 2.695 13.844 ( -0.278 -2.973 1.735) 3.454 13.900 ( -0.709 -1.922 0.144) 2.053 14.439 ( -0.466 1.862 5.611) 5.930 14.669 ( 2.221 1.074 -4.677) 5.288 ======================= Grid point 319 (161/192) ======================= q-point: ( 0.44 0.18 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 13.523 -3.852 4.835) 14.869 2.476 ( 3.886 -0.578 -0.572) 3.971 2.751 ( -7.087 2.523 5.402) 9.261 2.875 ( 4.801 -6.839 -10.372) 13.319 3.058 ( 4.563 -0.944 1.878) 5.024 3.196 ( -1.114 0.413 -2.188) 2.490 3.434 ( -3.762 -2.441 7.781) 8.980 3.498 ( 1.355 -4.142 4.047) 5.947 3.617 ( -0.559 2.878 -3.436) 4.517 3.764 ( -1.515 -4.913 -7.029) 8.708 4.752 ( 2.044 -9.105 12.005) 15.205 5.142 ( 0.144 -9.271 -11.302) 14.619 5.428 ( 5.131 -3.445 5.589) 8.333 5.557 ( -2.697 -0.280 7.445) 7.923 5.855 ( -16.468 6.035 9.269) 19.838 6.068 ( 14.203 14.880 -22.107) 30.197 6.519 ( 3.533 4.387 -0.375) 5.645 6.599 ( -7.336 2.257 2.121) 7.963 8.399 ( -2.243 -1.855 2.662) 3.944 8.496 ( -0.220 -1.826 -4.530) 4.889 8.818 ( 2.613 1.257 0.886) 3.032 8.845 ( -0.788 3.862 1.724) 4.302 8.984 ( 2.897 -0.100 -1.671) 3.346 9.078 ( -4.106 1.233 -1.707) 4.614 9.375 ( 2.148 0.153 2.315) 3.162 9.465 ( -0.981 0.112 -1.605) 1.885 12.475 ( 1.329 6.809 1.540) 7.106 12.571 ( -1.868 4.091 -2.326) 5.063 12.887 ( 0.500 -0.056 1.506) 1.588 12.938 ( -0.391 1.504 -1.217) 1.974 13.387 ( 2.536 2.170 0.994) 3.483 13.495 ( -2.978 2.133 -2.108) 4.226 13.854 ( -1.059 -2.337 3.074) 4.004 13.898 ( 1.100 -2.639 -1.367) 3.169 14.482 ( -0.446 2.238 6.577) 6.961 14.656 ( 0.991 1.528 -5.800) 6.080 ======================= Grid point 320 (162/192) ======================= q-point: (-0.44 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.380 ( -11.742 -4.147 -0.712) 12.473 2.451 ( -4.194 -0.349 -1.513) 4.472 2.683 ( -1.256 -2.096 6.214) 6.678 2.907 ( 7.483 -3.606 -8.557) 11.926 3.107 ( -4.648 -1.106 -1.962) 5.165 3.154 ( 2.396 0.845 1.267) 2.839 3.437 ( -1.298 1.321 5.385) 5.694 3.599 ( 6.974 -3.965 0.412) 8.033 3.617 ( 1.064 -1.853 -0.861) 2.304 3.690 ( 0.631 -4.153 -6.553) 7.784 4.852 ( -3.577 -8.984 12.529) 15.827 5.039 ( 0.187 -9.380 -11.772) 15.053 5.474 ( -5.161 -2.848 2.596) 6.441 5.576 ( -21.084 15.275 21.850) 33.990 5.635 ( 6.524 -4.786 -2.046) 8.346 6.183 ( 13.913 10.955 -18.335) 25.491 6.459 ( -6.668 4.071 4.337) 8.936 6.647 ( 7.712 2.731 -1.451) 8.309 8.394 ( -1.517 -1.669 4.242) 4.805 8.469 ( 1.338 -2.077 -3.299) 4.122 8.824 ( -1.111 3.255 0.219) 3.447 8.882 ( 3.121 1.402 -1.146) 3.608 8.977 ( -4.431 0.036 -1.167) 4.582 9.058 ( 4.605 1.532 0.004) 4.853 9.405 ( -1.979 -0.213 0.503) 2.053 9.442 ( 1.263 0.160 -0.490) 1.364 12.498 ( -1.548 4.858 0.418) 5.115 12.545 ( 2.352 6.289 -1.003) 6.789 12.898 ( -0.937 0.286 1.340) 1.660 12.924 ( 0.217 0.982 -0.808) 1.290 13.417 ( -2.674 2.254 -1.646) 3.865 13.459 ( 3.306 1.974 1.055) 3.993 13.850 ( -1.666 -2.407 2.592) 3.910 13.915 ( 1.843 -2.634 -2.000) 3.786 14.516 ( -2.036 2.063 6.369) 6.998 14.624 ( 1.059 1.875 -5.740) 6.131 ======================= Grid point 321 (163/192) ======================= q-point: (-0.33 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -19.007 -1.959 -3.824) 19.486 2.239 ( -15.056 4.188 6.051) 16.758 2.768 ( 2.863 -3.308 2.911) 5.255 2.964 ( 1.798 -1.171 -5.752) 6.139 3.011 ( -0.271 0.987 -4.754) 4.863 3.178 ( -0.248 0.293 0.282) 0.476 3.471 ( 1.051 1.439 2.999) 3.488 3.588 ( 0.458 -4.470 -6.215) 7.670 3.692 ( 1.214 0.398 -2.344) 2.669 3.750 ( 6.041 -2.626 2.154) 6.930 4.792 ( -5.331 -9.162 -1.210) 10.669 4.995 ( -2.303 -6.025 3.031) 7.126 5.241 ( -15.217 0.724 6.916) 16.731 5.511 ( -6.545 12.058 12.173) 18.342 5.732 ( 3.291 -1.982 2.400) 4.530 6.241 ( 4.191 9.169 -12.845) 16.329 6.433 ( 1.976 4.037 1.361) 4.696 6.803 ( 8.739 -1.918 -0.975) 9.000 8.400 ( -2.036 -2.332 5.713) 6.498 8.493 ( 2.880 -2.558 -2.360) 4.518 8.809 ( 0.096 1.218 -2.480) 2.765 8.882 ( -0.852 5.066 -1.246) 5.286 8.944 ( 1.027 -3.084 0.212) 3.258 9.143 ( 3.620 2.566 0.214) 4.442 9.343 ( -3.389 -0.219 -1.199) 3.601 9.471 ( 0.952 0.191 0.429) 1.062 12.465 ( -0.820 4.643 -0.728) 4.771 12.603 ( 2.939 5.120 0.696) 5.944 12.882 ( -0.891 0.344 -0.133) 0.964 12.926 ( -0.450 0.248 0.802) 0.952 13.361 ( -1.582 2.046 -1.272) 2.882 13.532 ( 2.639 1.502 1.200) 3.265 13.836 ( -1.316 -2.691 1.643) 3.417 13.934 ( 1.929 -2.290 -2.174) 3.700 14.500 ( -2.941 1.033 2.569) 4.039 14.613 ( 0.771 2.334 -2.103) 3.235 ======================= Grid point 322 (164/192) ======================= q-point: (-0.22 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -6.405 8.101 7.388) 12.697 2.030 ( -13.323 4.301 12.296) 18.633 2.799 ( -2.851 1.548 1.251) 3.477 2.884 ( -0.522 0.865 -6.656) 6.733 3.027 ( 3.969 2.307 -5.587) 7.231 3.178 ( 0.500 -1.716 0.261) 1.806 3.507 ( -0.598 1.677 2.233) 2.856 3.552 ( 0.455 -4.503 -5.321) 6.986 3.656 ( -2.930 3.642 -1.120) 4.806 3.846 ( 2.569 -0.255 0.709) 2.677 4.698 ( -0.439 -8.583 -5.856) 10.399 4.955 ( -6.969 -3.442 8.427) 11.464 5.084 ( -7.836 3.082 10.205) 13.230 5.463 ( -4.339 8.784 2.173) 10.036 5.798 ( -1.082 1.342 8.058) 8.241 6.192 ( 2.575 6.436 -12.397) 14.203 6.506 ( 3.539 2.981 1.628) 4.905 6.932 ( 5.557 -4.402 -3.505) 7.908 8.407 ( -2.430 -2.751 6.728) 7.664 8.526 ( 2.659 -3.564 -2.939) 5.330 8.776 ( -0.627 -0.562 -2.455) 2.596 8.895 ( 1.889 5.656 -2.389) 6.424 8.963 ( 0.923 -3.646 1.454) 4.033 9.197 ( 2.217 2.962 -0.211) 3.706 9.264 ( -3.492 -0.094 -1.436) 3.777 9.478 ( -0.344 0.509 -0.549) 0.824 12.468 ( 1.332 3.584 0.496) 3.856 12.661 ( 2.328 3.371 0.487) 4.126 12.865 ( -0.604 -0.247 -0.528) 0.839 12.915 ( -1.402 -0.506 1.071) 1.835 13.341 ( 0.169 2.097 -0.092) 2.106 13.566 ( 0.115 1.440 0.193) 1.458 13.835 ( 0.066 -3.058 1.444) 3.383 13.953 ( 1.787 -1.846 -2.272) 3.429 14.465 ( -2.058 0.293 1.579) 2.610 14.604 ( -0.512 1.988 -1.263) 2.411 ======================= Grid point 323 (165/192) ======================= q-point: (-0.11 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 3.527 10.473 17.310) 20.536 1.963 ( 1.243 7.374 13.128) 15.108 2.672 ( -8.883 4.539 1.990) 10.172 2.874 ( 2.899 3.408 -6.579) 7.957 3.069 ( 4.278 3.351 -3.099) 6.256 3.207 ( 1.637 -2.474 1.648) 3.393 3.450 ( -6.136 1.370 0.949) 6.358 3.455 ( -5.613 0.501 -7.114) 9.076 3.651 ( 2.481 2.462 2.086) 4.070 3.866 ( -0.244 1.398 -1.253) 1.893 4.700 ( 5.260 -7.742 -4.954) 10.590 4.859 ( -9.247 -3.091 6.829) 11.904 5.086 ( -1.785 5.920 10.547) 12.226 5.391 ( -1.371 6.767 -4.923) 8.480 5.823 ( -4.027 3.794 11.016) 12.327 6.149 ( 3.987 4.317 -14.012) 15.194 6.593 ( 2.545 0.779 5.220) 5.859 6.945 ( 0.113 -4.228 -6.386) 7.660 8.419 ( -1.838 -3.119 6.511) 7.450 8.545 ( 2.041 -4.516 -3.452) 6.040 8.760 ( 0.503 -0.333 -1.224) 1.365 8.867 ( -1.746 1.008 -3.386) 3.941 9.020 ( 2.523 -0.205 2.188) 3.345 9.189 ( -2.873 -0.137 -1.699) 3.341 9.242 ( 2.731 2.701 0.457) 3.868 9.444 ( -2.077 0.746 -2.053) 3.014 12.524 ( 3.254 1.933 1.821) 4.201 12.690 ( 0.196 1.985 -0.495) 2.055 12.850 ( -0.447 -0.797 0.025) 0.915 12.892 ( -1.437 -1.537 0.273) 2.122 13.367 ( 1.912 2.412 1.318) 3.348 13.540 ( -2.092 1.924 -1.201) 3.085 13.862 ( 1.051 -2.860 1.934) 3.608 13.961 ( 0.939 -1.638 -2.438) 3.083 14.451 ( -1.543 -0.096 3.341) 3.681 14.575 ( -0.414 1.207 -3.001) 3.261 ======================= Grid point 324 (166/192) ======================= q-point: ( 0.00 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( -0.519 14.860 9.941) 17.886 2.396 ( 4.947 9.630 -7.396) 13.112 2.752 ( -1.060 8.877 12.769) 15.587 2.944 ( -0.993 4.454 -4.759) 6.593 3.173 ( -4.949 0.269 3.501) 6.068 3.253 ( 5.987 3.860 2.242) 7.468 3.290 ( -5.039 -0.680 -4.925) 7.079 3.394 ( 1.525 3.205 -6.101) 7.058 3.797 ( 0.757 4.031 4.362) 5.988 3.870 ( 0.245 1.487 -2.184) 2.654 4.569 ( -8.483 -8.036 5.536) 12.930 4.725 ( 11.089 -6.743 -7.990) 15.241 5.277 ( -4.852 6.862 8.989) 12.306 5.455 ( 5.476 3.447 -7.142) 9.637 5.914 ( -6.243 4.811 14.020) 16.084 6.202 ( 5.434 3.849 -12.770) 14.402 6.662 ( -0.656 -1.030 6.657) 6.768 6.795 ( -1.792 -2.805 -5.746) 6.641 8.375 ( -0.564 -3.757 4.808) 6.127 8.463 ( 1.888 -4.735 -3.541) 6.206 8.759 ( -0.555 -1.580 0.481) 1.742 8.793 ( -0.361 1.095 -2.713) 2.947 9.094 ( -0.488 -0.371 1.717) 1.824 9.126 ( 0.820 -0.013 -1.312) 1.547 9.353 ( 2.321 2.506 1.140) 3.601 9.391 ( -2.960 1.415 -2.209) 3.955 12.624 ( 1.401 1.015 2.806) 3.296 12.678 ( -1.622 1.392 -2.269) 3.117 12.824 ( -0.633 -2.402 0.685) 2.577 12.842 ( 1.004 -1.127 -0.985) 1.803 13.486 ( 2.846 3.353 2.355) 4.989 13.532 ( -2.583 3.275 -1.903) 4.585 13.848 ( 1.018 -2.897 2.446) 3.926 13.899 ( -0.828 -3.004 -2.396) 3.931 14.460 ( -2.297 1.087 4.612) 5.266 14.559 ( 1.821 -0.225 -4.608) 4.960 ======================= Grid point 325 (167/192) ======================= q-point: ( 0.11 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( -4.283 13.243 2.578) 14.155 2.362 ( 0.702 8.030 -8.856) 11.975 2.804 ( -4.567 9.018 8.396) 13.141 2.887 ( 0.616 3.415 -4.141) 5.403 3.078 ( -4.716 -1.711 2.707) 5.700 3.147 ( -5.576 3.342 -1.600) 6.695 3.361 ( 2.656 2.675 2.531) 4.540 3.480 ( 6.256 0.311 -0.761) 6.309 3.757 ( -3.814 1.857 -0.350) 4.256 3.904 ( 2.158 2.998 -0.826) 3.785 4.441 ( -6.678 -6.716 3.398) 10.062 4.886 ( 11.040 -9.354 -9.359) 17.232 5.208 ( -5.753 4.200 4.448) 8.398 5.551 ( 5.769 2.781 -2.604) 6.913 5.928 ( -2.720 4.961 12.800) 13.995 6.231 ( 7.966 7.070 -12.610) 16.506 6.655 ( -4.665 -1.455 2.587) 5.530 6.747 ( -0.725 -2.355 1.942) 3.137 8.414 ( 1.238 -2.626 2.710) 3.971 8.474 ( 2.577 -4.104 -4.707) 6.755 8.710 ( -2.794 -1.136 0.463) 3.051 8.826 ( 2.737 0.756 0.506) 2.884 9.050 ( -2.686 -0.806 -0.681) 2.886 9.177 ( 3.128 0.173 0.014) 3.133 9.314 ( -2.891 3.064 -0.759) 4.281 9.424 ( 2.769 0.973 1.697) 3.390 12.607 ( -2.105 2.656 -0.770) 3.475 12.684 ( 0.854 0.616 1.052) 1.488 12.819 ( 0.177 -2.044 0.305) 2.074 12.882 ( 3.267 -0.730 -0.806) 3.443 13.463 ( -2.521 3.282 -2.226) 4.699 13.559 ( 2.664 3.277 1.817) 4.598 13.834 ( -2.640 -3.468 -0.775) 4.427 13.890 ( 0.268 -2.229 0.518) 2.304 14.446 ( -2.212 1.507 3.902) 4.732 14.590 ( 4.133 -0.506 -3.024) 5.146 ======================= Grid point 326 (168/192) ======================= q-point: ( 0.22 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -5.897 9.954 -6.765) 13.402 2.327 ( 3.237 6.382 -5.878) 9.261 2.782 ( -3.619 4.878 5.932) 8.490 2.903 ( 4.291 3.545 -2.289) 6.018 3.023 ( -4.179 5.601 2.010) 7.272 3.098 ( -0.031 -2.895 3.078) 4.225 3.397 ( -0.871 -0.063 2.384) 2.539 3.507 ( -3.579 -2.498 1.045) 4.487 3.721 ( 0.121 0.797 -0.062) 0.809 3.902 ( -0.796 2.432 -3.010) 3.951 4.398 ( -0.945 -7.165 4.343) 8.432 4.968 ( 7.012 -12.952 -12.690) 19.441 5.167 ( -1.538 1.651 3.347) 4.037 5.593 ( -1.638 -0.603 3.526) 3.934 6.026 ( 2.929 7.937 8.769) 12.185 6.285 ( 7.537 10.444 -12.767) 18.136 6.580 ( -3.250 1.582 0.276) 3.625 6.742 ( -3.581 -4.002 5.188) 7.467 8.447 ( 0.203 -0.570 -0.215) 0.642 8.485 ( 2.651 -2.177 -4.354) 5.543 8.686 ( -0.183 -2.796 1.569) 3.211 8.883 ( 2.056 0.467 1.043) 2.352 8.993 ( -1.910 0.161 -1.678) 2.547 9.229 ( 1.445 -1.072 -0.195) 1.810 9.277 ( -0.618 5.018 1.435) 5.255 9.476 ( 1.283 0.405 0.980) 1.664 12.578 ( -0.166 5.284 -0.813) 5.349 12.691 ( -0.642 1.017 0.655) 1.369 12.834 ( 0.676 -1.303 0.846) 1.695 12.941 ( 3.186 0.130 -1.240) 3.421 13.407 ( -1.365 2.939 -1.559) 3.596 13.606 ( 0.925 2.564 0.083) 2.727 13.785 ( -1.394 -3.563 0.099) 3.828 13.886 ( -1.100 -1.761 0.476) 2.130 14.449 ( -0.671 2.144 3.931) 4.528 14.649 ( 3.853 -0.136 -2.520) 4.605 ======================= Grid point 327 (169/192) ======================= q-point: ( 0.33 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 4.585 2.030 -3.631) 6.191 2.389 ( 5.467 2.878 -1.872) 6.456 2.777 ( 0.952 0.971 -0.357) 1.406 2.948 ( -4.602 8.100 2.153) 9.562 2.978 ( 2.933 0.746 -0.592) 3.083 3.161 ( 3.366 -1.551 2.804) 4.647 3.375 ( -3.615 -2.654 3.745) 5.843 3.437 ( -4.149 -3.373 3.590) 6.441 3.709 ( -1.353 -1.455 -1.103) 2.272 3.822 ( -3.559 1.817 -5.970) 7.184 4.461 ( 2.145 -8.177 6.933) 10.933 4.979 ( 4.509 -14.089 -12.011) 19.055 5.204 ( 3.251 -1.283 2.610) 4.362 5.566 ( -4.547 -2.587 5.512) 7.599 6.120 ( -4.166 8.442 11.646) 14.975 6.302 ( 7.357 12.829 -16.175) 21.917 6.554 ( 0.701 3.081 -0.549) 3.207 6.693 ( -4.689 -2.330 3.560) 6.331 8.420 ( -1.606 0.249 -1.064) 1.943 8.498 ( 1.715 -0.357 -4.294) 4.638 8.724 ( 2.202 -3.592 1.894) 4.619 8.907 ( 0.338 -1.521 -1.041) 1.873 8.969 ( 0.615 3.740 -0.069) 3.791 9.209 ( -2.669 2.817 -0.160) 3.884 9.318 ( 2.359 1.103 1.779) 3.153 9.487 ( -0.404 -0.098 -0.332) 0.532 12.585 ( 1.215 7.047 -0.344) 7.160 12.677 ( -1.004 2.627 -0.016) 2.812 12.857 ( 0.622 -0.702 1.714) 1.954 12.973 ( 1.424 0.979 -2.060) 2.689 13.394 ( 0.762 2.550 -0.091) 2.663 13.591 ( -1.510 1.499 -1.485) 2.594 13.788 ( 0.593 -2.576 1.350) 2.968 13.862 ( -1.310 -1.963 0.085) 2.361 14.483 ( 0.367 2.772 4.826) 5.578 14.687 ( 2.438 0.692 -3.378) 4.223 ======================= Grid point 328 (170/192) ======================= q-point: ( 0.44 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 10.702 -5.707 2.885) 12.467 2.443 ( -0.651 -3.846 -2.436) 4.598 2.802 ( 4.113 1.670 -4.765) 6.513 2.862 ( -5.029 7.169 0.891) 8.802 3.046 ( 4.220 -0.141 1.344) 4.431 3.196 ( -1.879 -0.278 -2.454) 3.103 3.383 ( 0.984 -2.745 8.696) 9.172 3.425 ( -0.921 -2.521 5.799) 6.390 3.650 ( -2.589 -3.632 -3.733) 5.816 3.693 ( -2.658 1.456 -8.263) 8.801 4.576 ( 2.013 -9.234 10.182) 13.893 4.934 ( 1.031 -12.039 -12.007) 17.034 5.339 ( 7.413 -4.504 3.200) 9.246 5.511 ( -4.527 -4.607 2.408) 6.893 6.033 ( -14.565 11.191 16.527) 24.709 6.329 ( 9.222 12.005 -17.796) 23.364 6.569 ( -2.783 0.648 5.486) 6.186 6.651 ( 1.405 3.146 -3.036) 4.592 8.391 ( -0.802 1.087 0.464) 1.428 8.474 ( -0.141 -0.181 -4.796) 4.802 8.787 ( 2.343 -3.395 2.076) 4.618 8.889 ( -0.672 -1.157 -2.117) 2.504 9.015 ( 3.705 4.223 0.704) 5.662 9.133 ( -4.339 3.930 -1.109) 5.958 9.377 ( 1.830 -0.001 2.215) 2.873 9.462 ( -1.326 -0.509 -1.266) 1.902 12.607 ( 0.198 6.312 1.257) 6.439 12.657 ( 0.153 5.066 -1.838) 5.391 12.884 ( 0.283 -0.279 2.590) 2.621 12.967 ( 0.087 1.320 -2.520) 2.847 13.432 ( 2.449 2.418 1.171) 3.635 13.535 ( -2.604 1.888 -1.999) 3.787 13.808 ( -0.443 -2.266 2.231) 3.211 13.847 ( 0.460 -2.598 -1.164) 2.884 14.534 ( 0.089 3.149 5.846) 6.641 14.687 ( 1.009 1.516 -4.729) 5.068 ======================= Grid point 329 (171/192) ======================= q-point: (-0.44 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -11.795 -7.077 -3.807) 14.272 2.392 ( 5.356 -5.748 1.438) 7.987 2.752 ( -4.874 8.739 0.028) 10.006 2.893 ( 6.793 2.303 -2.765) 7.687 3.094 ( -2.852 -0.049 -1.579) 3.260 3.164 ( 3.810 0.292 -0.720) 3.889 3.480 ( 0.959 2.980 5.631) 6.443 3.508 ( 4.400 -4.757 5.611) 8.572 3.559 ( -1.724 -4.469 -6.420) 8.009 3.629 ( 2.620 -1.701 -4.824) 5.747 4.666 ( -2.914 -10.152 10.356) 14.791 4.843 ( 0.720 -11.029 -11.892) 16.235 5.384 ( -6.948 -4.771 -0.283) 8.433 5.527 ( 7.009 -6.296 -0.322) 9.427 5.905 ( -13.710 16.632 22.125) 30.888 6.377 ( 9.767 8.856 -14.944) 19.929 6.523 ( -5.895 2.441 6.138) 8.853 6.694 ( 4.669 1.997 -3.489) 6.161 8.389 ( -1.187 1.313 1.784) 2.513 8.441 ( 1.043 -0.557 -3.063) 3.283 8.826 ( -0.494 -2.994 0.730) 3.122 8.865 ( 0.697 -2.518 -2.217) 3.426 9.035 ( -3.400 5.165 -0.649) 6.217 9.115 ( 4.920 4.049 0.256) 6.377 9.399 ( -2.365 -0.438 0.936) 2.580 9.440 ( 1.181 -0.473 -0.062) 1.274 12.596 ( -2.231 5.189 1.725) 5.906 12.667 ( 2.290 6.011 -2.310) 6.835 12.904 ( -0.673 0.348 2.825) 2.925 12.943 ( -0.289 0.857 -2.356) 2.524 13.464 ( -2.762 2.481 -1.809) 4.130 13.497 ( 2.760 1.944 1.509) 3.698 13.804 ( -1.484 -2.243 1.901) 3.294 13.860 ( 1.785 -2.951 -1.642) 3.820 14.565 ( -2.186 3.017 5.323) 6.497 14.662 ( 1.026 1.962 -4.785) 5.272 ======================= Grid point 330 (172/192) ======================= q-point: (-0.33 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -10.896 -0.191 -1.243) 10.968 2.367 ( -7.257 6.432 -0.289) 9.702 2.753 ( 3.858 3.207 1.372) 5.201 2.975 ( 1.681 2.436 -1.775) 3.451 3.044 ( 1.941 2.318 -4.363) 5.308 3.189 ( -0.887 0.919 -0.893) 1.559 3.481 ( -0.006 -2.806 -2.763) 3.938 3.516 ( 1.961 -0.767 -5.034) 5.457 3.659 ( 4.303 -4.816 4.374) 7.800 3.703 ( 5.215 -0.302 2.328) 5.719 4.613 ( -4.253 -9.245 -1.575) 10.298 4.794 ( -1.807 -13.023 -0.323) 13.152 5.242 ( -5.679 -0.443 -0.246) 5.702 5.615 ( 1.715 -4.124 -0.272) 4.474 5.869 ( -8.794 16.531 21.417) 28.448 6.402 ( 0.371 7.312 -8.632) 11.319 6.505 ( 2.928 3.311 0.431) 4.441 6.765 ( 5.047 -1.984 -2.101) 5.816 8.371 ( -2.173 -0.439 3.136) 3.841 8.460 ( 1.746 -0.541 -1.088) 2.128 8.793 ( -0.941 -2.412 -4.033) 4.793 8.863 ( -0.445 -4.740 1.889) 5.122 9.000 ( 0.366 6.027 -1.691) 6.270 9.203 ( 3.217 3.155 0.290) 4.516 9.340 ( -3.112 0.161 -0.290) 3.129 9.471 ( 1.089 -0.153 0.987) 1.477 12.566 ( -1.927 5.618 1.223) 6.064 12.693 ( 1.791 3.936 -1.454) 4.562 12.895 ( -1.069 0.875 -0.816) 1.604 12.926 ( -1.135 -0.125 1.369) 1.783 13.405 ( -1.762 2.460 -1.141) 3.234 13.559 ( 2.034 1.244 1.571) 2.856 13.788 ( -1.329 -2.256 0.977) 2.795 13.884 ( 2.023 -2.811 -1.527) 3.785 14.534 ( -3.277 2.483 1.629) 4.423 14.654 ( 0.331 1.773 -1.734) 2.502 ======================= Grid point 331 (173/192) ======================= q-point: (-0.22 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 2.944 10.430 7.153) 12.985 2.220 ( -7.505 13.445 3.461) 15.782 2.841 ( 2.095 3.111 0.325) 3.765 2.933 ( -0.376 4.405 -4.507) 6.313 3.087 ( 4.010 3.840 -3.413) 6.518 3.152 ( -0.568 -0.896 -1.651) 1.962 3.472 ( 1.184 -3.609 -3.780) 5.359 3.521 ( 0.602 -0.208 -1.219) 1.376 3.709 ( -0.264 1.128 1.108) 1.603 3.823 ( 3.139 -1.266 3.589) 4.933 4.540 ( 0.578 -7.875 -5.697) 9.737 4.753 ( -3.695 -13.404 4.317) 14.558 5.185 ( -1.574 3.999 3.179) 5.346 5.593 ( -4.018 1.721 1.339) 4.572 5.892 ( -5.001 10.158 15.719) 19.372 6.314 ( -1.610 5.831 -7.666) 9.766 6.568 ( 3.043 3.367 -0.796) 4.608 6.841 ( 4.279 -4.831 -3.198) 7.202 8.360 ( -2.561 -2.043 5.332) 6.258 8.472 ( 0.557 -1.830 -1.587) 2.486 8.749 ( 0.137 -2.239 -3.575) 4.220 8.880 ( -0.042 -4.409 1.088) 4.541 9.001 ( 1.561 4.596 -2.024) 5.259 9.219 ( -2.038 -0.830 0.555) 2.270 9.304 ( 0.234 4.144 -0.967) 4.261 9.487 ( -0.123 0.474 0.029) 0.491 12.550 ( -0.618 4.877 1.516) 5.145 12.712 ( 1.242 1.830 -1.178) 2.505 12.862 ( -1.097 -0.345 -1.702) 2.054 12.906 ( -2.504 -0.357 1.965) 3.203 13.386 ( 0.290 2.625 0.352) 2.665 13.595 ( 0.477 1.504 0.933) 1.833 13.776 ( -0.257 -2.852 0.809) 2.975 13.910 ( 1.783 -2.547 -1.534) 3.467 14.487 ( -2.418 1.900 1.012) 3.237 14.633 ( -1.105 1.013 -1.586) 2.183 ======================= Grid point 332 (174/192) ======================= q-point: (-0.11 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 0.036 14.087 11.445) 18.150 2.201 ( 10.044 15.378 4.835) 18.993 2.774 ( -6.459 5.739 2.491) 8.993 2.959 ( 3.588 5.548 -4.661) 8.086 3.138 ( 4.400 3.496 -1.649) 5.856 3.165 ( 2.627 -1.089 -1.082) 3.042 3.425 ( -3.335 -1.637 -4.787) 6.059 3.482 ( -4.509 1.098 -0.395) 4.657 3.723 ( 1.887 3.653 2.054) 4.596 3.878 ( 0.417 0.127 1.580) 1.639 4.559 ( 5.283 -7.097 -3.795) 9.627 4.711 ( -4.171 -10.512 2.611) 11.607 5.224 ( 1.393 6.423 5.877) 8.817 5.503 ( -4.577 4.100 -1.165) 6.254 5.915 ( -5.195 6.264 13.675) 15.913 6.232 ( 1.476 4.054 -11.027) 11.841 6.615 ( 1.172 1.597 2.863) 3.482 6.857 ( 0.765 -4.752 -5.319) 7.173 8.359 ( -2.152 -3.238 5.763) 6.952 8.464 ( 0.538 -3.834 -2.350) 4.529 8.743 ( 1.499 -1.260 -2.121) 2.886 8.853 ( -2.201 -1.672 -1.762) 3.278 9.041 ( 3.125 1.539 0.030) 3.483 9.169 ( -3.063 -1.494 0.605) 3.462 9.314 ( 1.420 4.281 -0.706) 4.566 9.460 ( -2.051 0.979 -1.512) 2.730 12.571 ( 1.241 2.996 2.199) 3.918 12.716 ( 0.028 0.779 -1.644) 1.819 12.830 ( -0.906 -1.491 -0.585) 1.840 12.866 ( -2.362 -1.081 0.600) 2.666 13.419 ( 2.055 3.053 1.781) 4.089 13.585 ( -1.595 2.751 -0.664) 3.248 13.800 ( 1.490 -3.479 1.873) 4.223 13.921 ( 0.571 -2.575 -1.863) 3.229 14.463 ( -1.501 1.293 2.489) 3.181 14.590 ( -1.134 0.310 -3.086) 3.302 ======================= Grid point 333 (175/192) ======================= q-point: ( 0.00 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 0.256 12.817 5.895) 14.110 2.587 ( 0.872 8.979 -3.809) 9.793 2.891 ( 2.049 4.853 5.733) 7.786 2.997 ( -1.761 0.475 -4.128) 4.513 3.210 ( -8.215 4.685 5.035) 10.714 3.320 ( 0.300 4.605 -4.129) 6.192 3.344 ( 5.426 5.243 3.663) 8.388 3.458 ( -0.759 2.847 -3.993) 4.962 3.870 ( 3.214 3.271 2.396) 5.174 3.886 ( -2.120 1.076 1.143) 2.638 4.402 ( -5.653 -9.161 4.178) 11.547 4.567 ( 10.512 -9.940 -10.260) 17.736 5.384 ( -4.788 4.423 5.558) 8.566 5.496 ( 4.739 0.939 -4.507) 6.607 6.019 ( -6.485 5.925 12.496) 15.275 6.240 ( 4.075 -0.105 -7.494) 8.531 6.660 ( -1.427 1.062 3.467) 3.897 6.750 ( -0.346 -1.739 -4.217) 4.575 8.301 ( 0.182 -3.595 2.968) 4.666 8.371 ( 1.488 -4.819 -3.521) 6.151 8.752 ( -0.897 1.011 2.485) 2.829 8.817 ( 1.333 1.182 -3.440) 3.874 9.071 ( -1.745 -1.472 2.043) 3.064 9.115 ( 1.913 -1.408 -1.960) 3.080 9.403 ( 0.961 2.506 0.787) 2.797 9.424 ( -2.579 1.745 -1.035) 3.282 12.648 ( -0.314 1.503 2.829) 3.219 12.706 ( 0.058 1.561 -2.548) 2.989 12.776 ( -1.214 -2.613 1.632) 3.312 12.816 ( 1.485 -1.683 -2.064) 3.049 13.556 ( 2.969 3.948 2.437) 5.508 13.601 ( -2.483 3.901 -1.772) 4.952 13.786 ( 1.658 -3.514 2.448) 4.592 13.835 ( -1.378 -3.690 -2.151) 4.487 14.484 ( -1.556 1.412 2.888) 3.571 14.550 ( 0.917 -0.656 -3.251) 3.441 ======================= Grid point 334 (176/192) ======================= q-point: ( 0.11 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -5.297 11.701 1.140) 12.894 2.526 ( -2.705 7.920 -3.848) 9.211 2.932 ( -0.341 1.525 -3.317) 3.667 2.974 ( 1.226 4.198 4.289) 6.125 3.051 ( -10.634 4.922 6.709) 13.502 3.270 ( -3.392 7.441 -2.631) 8.591 3.406 ( 0.626 2.010 0.351) 2.134 3.497 ( 3.037 1.373 0.528) 3.375 3.776 ( -5.967 0.710 -0.589) 6.038 3.955 ( 1.848 2.195 0.356) 2.892 4.310 ( -4.984 -6.896 1.359) 8.616 4.671 ( 8.613 -12.856 -11.973) 19.566 5.285 ( -6.619 4.212 2.857) 8.350 5.561 ( 1.765 -1.683 -1.116) 2.682 6.043 ( -0.068 6.766 11.078) 12.981 6.319 ( 8.683 1.417 -5.915) 10.602 6.647 ( -2.934 0.964 3.567) 4.718 6.712 ( -1.083 -1.096 -1.303) 2.018 8.357 ( 3.654 -3.110 1.159) 4.936 8.395 ( 3.899 -4.097 -4.250) 7.074 8.715 ( -3.420 1.785 0.593) 3.903 8.836 ( 2.195 0.105 -1.884) 2.895 9.038 ( -2.049 -0.203 0.918) 2.254 9.155 ( 2.725 -2.242 -1.101) 3.697 9.380 ( -1.543 3.429 0.651) 3.816 9.444 ( 1.596 0.976 2.137) 2.840 12.655 ( -0.388 2.153 1.538) 2.675 12.706 ( 0.990 1.873 -0.754) 2.248 12.777 ( 0.592 -2.263 0.609) 2.418 12.859 ( 3.950 -1.789 -1.443) 4.570 13.530 ( -2.774 3.716 -2.225) 5.144 13.629 ( 2.409 3.847 1.361) 4.739 13.762 ( -2.844 -3.851 -1.109) 4.914 13.841 ( 1.053 -2.833 0.806) 3.128 14.479 ( -1.041 1.852 2.730) 3.459 14.575 ( 3.355 -1.060 -1.606) 3.868 ======================= Grid point 335 (177/192) ======================= q-point: ( 0.22 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -10.422 9.638 -6.878) 15.774 2.455 ( -1.889 5.588 -1.530) 6.094 2.913 ( -5.209 7.490 3.126) 9.644 2.959 ( 0.801 4.158 3.597) 5.556 3.042 ( 1.756 -0.998 4.264) 4.718 3.186 ( -3.141 8.062 -1.699) 8.818 3.401 ( -1.698 0.483 0.067) 1.767 3.467 ( -5.690 -0.998 1.203) 5.901 3.697 ( -2.574 -2.415 0.294) 3.542 3.951 ( -1.754 1.293 -1.488) 2.639 4.264 ( -0.339 -6.286 0.971) 6.370 4.701 ( 5.775 -14.500 -13.240) 20.467 5.207 ( -3.410 3.028 2.488) 5.195 5.541 ( -3.286 -4.712 1.644) 5.975 6.177 ( 3.394 7.769 10.333) 13.366 6.437 ( 7.401 4.170 -5.771) 10.270 6.617 ( -1.809 2.377 1.086) 3.179 6.680 ( -2.007 -1.806 0.660) 2.779 8.425 ( 3.780 -1.456 -4.886) 6.347 8.459 ( 4.795 -1.274 -0.329) 4.973 8.656 ( -2.627 0.276 0.424) 2.676 8.847 ( 0.802 -3.343 -2.905) 4.501 9.028 ( 0.235 2.813 1.573) 3.231 9.197 ( 2.218 -2.227 -0.156) 3.146 9.369 ( -0.915 4.388 1.494) 4.724 9.482 ( 0.393 0.076 1.612) 1.661 12.673 ( 0.946 3.903 1.110) 4.167 12.721 ( 1.296 2.843 -0.718) 3.206 12.802 ( 1.140 -1.938 1.022) 2.470 12.929 ( 4.039 -1.539 -1.474) 4.567 13.468 ( -1.737 3.384 -1.651) 4.147 13.643 ( -1.138 0.354 -1.531) 1.940 13.732 ( 0.395 -1.035 0.957) 1.463 13.849 ( -0.609 -2.050 0.132) 2.143 14.497 ( 0.441 2.763 3.139) 4.205 14.637 ( 3.663 -1.182 -0.924) 3.958 ======================= Grid point 336 (178/192) ======================= q-point: ( 0.33 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -3.580 4.629 -5.239) 7.854 2.413 ( -2.087 -1.580 -1.301) 2.923 2.872 ( -1.199 8.589 2.708) 9.085 3.002 ( 0.570 2.074 2.395) 3.219 3.099 ( -1.529 3.892 -1.179) 4.344 3.152 ( 2.650 3.146 3.472) 5.383 3.335 ( -4.095 -1.291 0.500) 4.323 3.399 ( -3.350 0.138 5.100) 6.103 3.633 ( -3.432 -4.948 -1.580) 6.225 3.872 ( -3.836 1.398 -3.961) 5.688 4.309 ( 2.703 -6.783 3.354) 8.035 4.705 ( 5.283 -14.072 -11.649) 19.016 5.198 ( 0.539 0.929 2.503) 2.723 5.479 ( -4.602 -6.093 2.402) 8.004 6.278 ( -4.422 7.942 13.636) 16.388 6.503 ( 6.491 7.053 -9.159) 13.258 6.581 ( -3.734 0.243 2.283) 4.384 6.671 ( 2.443 0.284 -2.939) 3.832 8.437 ( 1.345 1.443 -3.571) 4.080 8.522 ( 2.183 2.689 -3.229) 4.735 8.646 ( 1.167 -4.074 2.019) 4.694 8.833 ( 1.126 -4.922 -4.010) 6.448 9.062 ( 1.328 4.748 2.024) 5.330 9.231 ( 0.393 -0.570 0.707) 0.989 9.361 ( -0.573 3.166 0.840) 3.325 9.480 ( -1.230 -0.628 0.180) 1.393 12.696 ( 0.032 3.623 1.621) 3.969 12.744 ( 2.346 5.111 -2.673) 6.227 12.837 ( 0.882 -1.240 2.817) 3.201 12.977 ( 2.301 -0.735 -2.208) 3.273 13.446 ( 0.442 2.969 -0.157) 3.005 13.600 ( -1.518 -0.830 -1.419) 2.238 13.758 ( 0.961 -0.339 0.712) 1.243 13.827 ( -1.316 -1.692 -0.401) 2.181 14.544 ( 1.226 3.455 3.975) 5.407 14.690 ( 2.610 -0.545 -1.541) 3.080 ======================= Grid point 337 (179/192) ======================= q-point: ( 0.44 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 5.297 -3.844 0.463) 6.561 2.321 ( -5.216 -8.330 -4.673) 10.883 2.906 ( 2.649 8.036 1.352) 8.569 3.010 ( -2.475 6.142 0.711) 6.660 3.065 ( 1.838 2.796 -0.257) 3.356 3.186 ( -2.083 -0.841 -1.960) 2.981 3.340 ( 2.879 -1.020 5.396) 6.201 3.424 ( 0.492 2.367 8.809) 9.135 3.554 ( -2.181 -4.670 -4.260) 6.687 3.747 ( -4.055 2.633 -7.043) 8.542 4.403 ( 1.906 -8.358 7.213) 11.203 4.695 ( 2.684 -12.721 -11.305) 17.228 5.273 ( 4.707 -2.277 2.689) 5.879 5.405 ( -4.653 -5.919 1.213) 7.626 6.239 ( -10.207 9.746 15.422) 20.905 6.506 ( 1.272 4.660 -8.392) 9.683 6.570 ( 0.161 1.557 3.229) 3.588 6.700 ( 3.725 1.555 -5.802) 7.068 8.434 ( 0.752 3.125 -1.223) 3.439 8.501 ( -0.355 3.273 -4.397) 5.493 8.705 ( 1.879 -4.900 2.704) 5.904 8.825 ( 1.178 -4.758 -4.489) 6.647 9.111 ( 2.326 4.964 1.820) 5.776 9.203 ( -2.986 2.908 -0.268) 4.177 9.377 ( 1.076 0.169 1.487) 1.843 9.446 ( -1.851 -1.138 -0.709) 2.286 12.699 ( -1.273 3.676 2.382) 4.562 12.760 ( 1.926 4.690 -3.761) 6.312 12.880 ( 0.591 0.198 3.700) 3.752 12.982 ( 0.483 0.078 -2.923) 2.964 13.478 ( 2.100 2.412 1.113) 3.386 13.560 ( -1.692 0.506 -1.424) 2.269 13.774 ( -0.129 -1.215 0.998) 1.578 13.803 ( -0.229 -1.921 -1.072) 2.212 14.599 ( 0.576 3.515 4.614) 5.829 14.708 ( 1.046 0.520 -2.773) 3.009 ======================= Grid point 338 (180/192) ======================= q-point: (-0.44 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -6.735 -6.168 -2.784) 9.547 2.255 ( 7.859 -7.982 0.093) 11.202 2.951 ( -2.207 10.160 -2.139) 10.615 2.982 ( 3.591 6.134 1.696) 7.308 3.102 ( -0.494 0.793 -1.228) 1.543 3.170 ( 4.785 0.344 -2.206) 5.280 3.429 ( 1.165 -3.285 4.641) 5.804 3.477 ( -1.264 -3.738 -3.902) 5.550 3.555 ( 3.480 4.964 6.964) 9.233 3.627 ( -0.302 1.976 -7.049) 7.327 4.471 ( -2.399 -9.956 8.564) 13.350 4.620 ( -0.229 -12.122 -11.584) 16.768 5.308 ( -4.304 -2.867 -0.176) 5.174 5.407 ( 5.829 -5.814 0.543) 8.251 6.184 ( -9.093 12.281 17.985) 23.600 6.494 ( 2.361 2.111 -1.873) 3.680 6.570 ( -1.344 3.679 -1.005) 4.043 6.716 ( 2.954 0.245 -5.839) 6.549 8.446 ( -0.719 4.589 -1.405) 4.853 8.456 ( 0.444 2.246 -1.317) 2.641 8.742 ( -0.347 -5.274 2.546) 5.867 8.794 ( -0.563 -4.823 -4.726) 6.776 9.137 ( -2.100 4.952 -0.246) 5.384 9.191 ( 3.623 3.447 0.541) 5.030 9.389 ( -2.331 -0.543 0.882) 2.551 9.425 ( 1.181 -1.073 0.714) 1.748 12.689 ( -1.999 4.322 2.879) 5.565 12.760 ( 0.976 3.288 -3.149) 4.656 12.914 ( -0.168 0.739 3.330) 3.415 12.954 ( -0.647 0.255 -3.214) 3.289 13.507 ( -2.298 1.975 -1.645) 3.448 13.531 ( 1.984 1.430 1.311) 2.775 13.769 ( -1.022 -1.343 1.115) 2.023 13.807 ( 1.359 -2.468 -1.088) 3.020 14.626 ( -1.906 3.134 3.842) 5.312 14.694 ( 0.441 1.187 -3.121) 3.368 ======================= Grid point 339 (181/192) ======================= q-point: (-0.33 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -0.565 3.614 -0.173) 3.662 2.395 ( 4.768 -3.432 0.290) 5.882 2.913 ( 0.408 11.047 -1.365) 11.138 3.047 ( 0.857 4.613 1.068) 4.812 3.099 ( 3.663 3.516 -3.864) 6.381 3.211 ( -0.536 1.320 -1.995) 2.451 3.402 ( 1.273 -4.206 -5.683) 7.184 3.525 ( 1.210 -1.357 -3.161) 3.647 3.564 ( 4.241 -1.310 1.760) 4.775 3.733 ( 4.171 3.165 7.425) 9.085 4.438 ( -3.227 -9.228 -1.085) 9.836 4.531 ( -2.812 -13.949 -2.056) 14.377 5.242 ( -1.241 0.849 -1.229) 1.942 5.502 ( 3.527 -6.796 -0.112) 7.657 6.168 ( -8.645 13.621 18.268) 24.372 6.499 ( -5.600 2.075 3.115) 6.736 6.566 ( 6.582 3.584 -6.169) 9.707 6.727 ( 2.714 -2.038 -4.289) 5.469 8.392 ( -2.964 2.843 0.114) 4.109 8.477 ( 0.210 2.246 0.648) 2.347 8.726 ( -0.822 -4.490 -4.801) 6.625 8.761 ( -0.199 -5.756 2.595) 6.317 9.104 ( -0.742 4.682 -1.727) 5.045 9.239 ( -0.328 0.266 -0.071) 0.429 9.361 ( 0.011 2.118 0.805) 2.265 9.464 ( 1.478 -0.647 1.575) 2.255 12.670 ( -2.361 4.998 2.878) 6.233 12.749 ( 0.173 1.944 -2.098) 2.866 12.905 ( -1.452 0.004 -3.186) 3.501 12.925 ( -1.540 -0.026 2.554) 2.982 13.455 ( -1.581 2.790 -1.010) 3.362 13.573 ( 1.400 0.029 1.191) 1.838 13.757 ( -0.990 -0.823 0.607) 1.423 13.832 ( 1.781 -2.591 -0.631) 3.207 14.589 ( -3.231 3.028 0.749) 4.491 14.677 ( -0.663 0.628 -1.248) 1.547 ======================= Grid point 340 (182/192) ======================= q-point: (-0.22 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 9.574 11.336 5.734) 15.908 2.440 ( 0.751 7.133 0.141) 7.174 2.926 ( -0.424 5.181 -0.261) 5.205 3.061 ( 2.270 8.022 -2.236) 8.632 3.139 ( 1.911 1.274 -4.726) 5.254 3.177 ( 1.750 4.846 -1.079) 5.264 3.408 ( 1.910 -3.325 -1.277) 4.042 3.521 ( 1.710 0.939 -4.222) 4.651 3.668 ( 2.716 -3.903 2.956) 5.599 3.849 ( 1.690 3.427 6.751) 7.757 4.387 ( 2.369 -8.659 -6.877) 11.309 4.484 ( -2.753 -14.056 4.135) 14.908 5.247 ( 2.316 3.102 -0.421) 3.894 5.544 ( 0.629 -5.198 0.519) 5.262 6.124 ( -9.470 12.021 14.320) 20.958 6.399 ( -5.079 2.724 -1.318) 5.912 6.630 ( 3.166 2.926 -2.594) 5.031 6.757 ( 3.444 -3.687 -3.734) 6.277 8.339 ( -3.594 0.174 2.634) 4.459 8.454 ( -2.571 -0.440 -0.296) 2.625 8.699 ( 1.567 -2.619 -2.859) 4.182 8.794 ( 1.272 -4.381 1.764) 4.891 9.072 ( -0.546 2.938 -2.399) 3.832 9.192 ( -3.279 -1.721 0.255) 3.712 9.386 ( 1.203 4.103 -0.144) 4.278 9.494 ( 0.358 0.122 0.524) 0.647 12.647 ( -2.174 4.963 2.555) 5.991 12.735 ( 0.018 0.819 -1.502) 1.711 12.847 ( -1.921 -1.093 -2.505) 3.340 12.897 ( -3.017 -0.973 1.390) 3.462 13.442 ( 0.567 3.266 0.633) 3.374 13.611 ( 1.538 -0.391 1.418) 2.129 13.740 ( -1.012 -0.487 0.154) 1.133 13.859 ( 1.364 -2.748 -0.672) 3.140 14.532 ( -2.661 2.698 0.146) 3.793 14.641 ( -1.917 -0.255 -1.478) 2.434 ======================= Grid point 341 (183/192) ======================= q-point: (-0.11 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 5.971 11.870 7.635) 15.325 2.488 ( 6.590 12.186 0.468) 13.861 2.876 ( -3.506 4.737 1.491) 6.080 3.052 ( -0.909 1.327 -3.140) 3.528 3.191 ( 6.630 7.648 -3.369) 10.668 3.232 ( 3.070 4.924 1.010) 5.890 3.405 ( -2.881 -0.330 -1.824) 3.426 3.504 ( -1.429 1.398 -0.175) 2.007 3.746 ( 4.807 -0.693 1.748) 5.161 3.906 ( -0.857 3.061 4.735) 5.703 4.417 ( 2.967 -8.054 -1.286) 8.679 4.486 ( 2.070 -12.633 -1.894) 12.941 5.320 ( 4.705 4.127 1.107) 6.355 5.528 ( -2.756 -1.242 0.420) 3.052 6.058 ( -7.608 7.924 11.413) 15.840 6.290 ( -3.094 1.558 -4.726) 5.860 6.653 ( 0.460 2.298 0.459) 2.388 6.777 ( 1.697 -3.303 -4.576) 5.893 8.301 ( -2.688 -2.381 3.387) 4.936 8.398 ( -1.764 -3.394 -1.829) 4.240 8.725 ( 1.921 -0.248 -0.184) 1.946 8.821 ( 0.640 -1.598 -0.444) 1.778 9.060 ( 0.970 0.485 -1.038) 1.501 9.137 ( -2.510 -1.768 0.327) 3.088 9.394 ( 0.234 3.917 -0.641) 3.976 9.479 ( -1.716 0.775 -0.972) 2.120 12.635 ( -0.956 3.549 2.480) 4.434 12.725 ( 0.216 0.326 -1.893) 1.933 12.797 ( -1.773 -1.821 -0.444) 2.580 12.842 ( -2.580 -1.721 -0.343) 3.120 13.484 ( 2.341 3.669 2.065) 4.818 13.640 ( -0.230 2.489 0.205) 2.508 13.736 ( 0.862 -2.818 1.187) 3.177 13.865 ( -0.058 -3.161 -1.249) 3.400 14.495 ( -1.605 1.967 1.153) 2.788 14.587 ( -1.713 -0.630 -2.496) 3.092 ======================= Grid point 342 (184/192) ======================= q-point: ( 0.00 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 0.072 5.656 3.504) 6.654 2.699 ( -0.278 2.165 0.137) 2.187 2.942 ( 0.652 1.529 0.580) 1.761 2.975 ( -1.225 -1.944 -2.499) 3.395 3.347 ( -6.299 7.749 4.967) 11.153 3.410 ( 1.213 3.246 0.759) 3.547 3.423 ( 2.157 1.852 3.367) 4.406 3.480 ( -1.201 -1.423 -0.068) 1.864 3.926 ( 0.420 4.004 2.059) 4.522 3.948 ( -0.771 3.260 0.929) 3.477 4.255 ( 0.046 -3.644 -1.986) 4.151 4.354 ( 8.720 -11.209 -9.879) 17.300 5.454 ( -2.011 2.961 1.918) 4.061 5.494 ( 2.305 -1.151 -1.635) 3.052 6.125 ( -3.907 4.883 6.893) 9.307 6.204 ( 0.092 -3.295 -0.121) 3.299 6.694 ( -0.751 1.989 0.532) 2.192 6.725 ( -0.206 -1.227 -1.924) 2.291 8.258 ( 0.724 -0.442 0.155) 0.862 8.288 ( 1.121 -3.408 -2.608) 4.436 8.789 ( 0.061 2.425 2.206) 3.279 8.824 ( 1.201 -0.761 -0.858) 1.660 9.055 ( -0.790 0.175 0.432) 0.917 9.079 ( 0.811 -1.962 -1.626) 2.674 9.441 ( -0.411 1.276 0.386) 1.395 9.448 ( -1.547 0.562 -0.216) 1.660 12.682 ( -1.381 2.070 2.587) 3.590 12.726 ( -1.253 -2.420 2.007) 3.384 12.740 ( 0.964 1.889 -2.401) 3.203 12.779 ( 1.652 -2.089 -2.547) 3.685 13.634 ( 2.867 4.048 2.385) 5.504 13.675 ( -1.454 3.231 -1.341) 3.789 13.718 ( 1.462 -3.014 1.943) 3.872 13.761 ( -1.920 -3.967 -1.908) 4.803 14.511 ( -0.819 1.324 0.844) 1.771 14.534 ( 0.013 -1.046 -1.292) 1.662 ======================= Grid point 343 (185/192) ======================= q-point: ( 0.11 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -6.110 3.715 -0.109) 7.151 2.636 ( -5.341 2.895 -0.398) 6.088 2.950 ( 0.352 0.853 -0.492) 1.045 2.970 ( 0.715 -1.093 2.160) 2.524 3.246 ( -8.261 9.827 7.051) 14.646 3.351 ( -5.331 -0.777 0.565) 5.417 3.463 ( 0.693 4.184 -0.235) 4.248 3.514 ( 1.046 -0.427 0.364) 1.186 3.820 ( -7.757 5.016 -0.035) 9.238 3.948 ( -4.114 -5.105 2.827) 7.140 4.241 ( 2.368 3.026 -6.481) 7.535 4.416 ( 6.688 -12.824 -11.526) 18.494 5.381 ( -5.215 5.794 0.770) 7.834 5.492 ( -2.078 -5.223 -0.750) 5.671 6.174 ( 2.970 6.677 7.302) 10.331 6.285 ( 6.059 -4.401 2.361) 7.852 6.680 ( -1.149 1.825 0.796) 2.299 6.702 ( -0.829 -0.449 -1.024) 1.392 8.314 ( 4.986 -0.942 -0.848) 5.145 8.329 ( 5.034 -2.428 -2.925) 6.308 8.767 ( -2.746 3.148 -0.473) 4.203 8.819 ( -0.665 -2.002 -1.960) 2.879 9.053 ( 0.461 1.843 0.621) 1.998 9.102 ( 2.103 -2.999 -0.585) 3.709 9.433 ( -0.500 1.996 1.451) 2.518 9.453 ( 0.471 -0.144 1.977) 2.038 12.691 ( 0.134 1.835 2.537) 3.134 12.728 ( -0.030 -1.677 2.432) 2.954 12.761 ( 2.956 2.466 -2.913) 4.828 12.815 ( 3.767 -2.737 -2.081) 5.100 13.604 ( -3.036 3.919 -2.112) 5.389 13.674 ( -2.386 -2.436 -1.894) 3.900 13.717 ( 1.637 2.342 1.445) 3.202 13.782 ( 1.866 -3.414 1.047) 4.029 14.515 ( 0.430 1.904 1.450) 2.431 14.550 ( 2.022 -1.621 -0.016) 2.592 ======================= Grid point 344 (186/192) ======================= q-point: ( 0.22 0.45 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -10.793 5.800 -4.778) 13.151 2.500 ( -7.507 -1.005 -1.788) 7.782 2.980 ( 1.647 2.004 1.819) 3.169 3.008 ( 0.719 -0.974 4.374) 4.538 3.157 ( -6.434 9.830 6.634) 13.492 3.263 ( -4.374 -1.038 1.602) 4.773 3.431 ( -2.922 3.028 -2.894) 5.107 3.484 ( -3.361 0.294 -0.046) 3.374 3.684 ( -6.023 4.289 1.000) 7.461 3.866 ( -5.898 -10.425 3.714) 12.541 4.247 ( 4.264 5.840 -7.593) 10.486 4.436 ( 5.511 -12.634 -11.530) 17.970 5.294 ( -4.173 6.028 1.144) 7.420 5.424 ( -4.150 -7.054 0.472) 8.198 6.318 ( 3.731 6.784 8.742) 11.678 6.427 ( 4.477 -4.119 4.872) 7.794 6.664 ( 0.094 1.897 -2.330) 3.006 6.676 ( -0.108 0.415 -2.648) 2.682 8.408 ( 5.865 0.008 -3.433) 6.795 8.426 ( 6.278 -1.691 -0.660) 6.535 8.697 ( -2.951 3.540 -2.067) 5.051 8.774 ( -1.353 -4.160 -3.342) 5.505 9.086 ( 1.998 3.137 1.339) 3.953 9.146 ( 2.470 -3.029 0.432) 3.932 9.438 ( -0.793 2.785 1.682) 3.348 9.474 ( -0.376 -1.028 1.803) 2.110 12.721 ( 0.775 2.024 2.043) 2.978 12.761 ( 1.121 -2.094 2.127) 3.188 12.802 ( 3.711 4.537 -2.404) 6.335 12.881 ( 4.289 -3.420 -1.662) 5.732 13.536 ( -2.087 3.662 -1.620) 4.516 13.604 ( -2.398 -3.375 -1.707) 4.478 13.757 ( 1.168 2.542 0.471) 2.837 13.806 ( 0.251 -2.439 0.014) 2.452 14.552 ( 1.735 2.909 2.159) 4.017 14.603 ( 2.926 -2.310 0.749) 3.802 ======================= Grid point 345 (187/192) ======================= q-point: ( 0.33 0.45 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( -8.427 6.907 -5.241) 12.091 2.326 ( -7.792 -6.681 -3.682) 10.905 3.023 ( 0.321 4.209 3.369) 5.401 3.052 ( -1.150 1.648 5.162) 5.540 3.123 ( -0.506 3.592 2.267) 4.277 3.202 ( -3.510 -1.786 1.461) 4.201 3.353 ( -1.551 3.649 -1.438) 4.218 3.426 ( -2.186 -1.185 1.405) 2.855 3.601 ( -3.912 5.750 1.994) 7.235 3.796 ( -4.637 -9.851 3.579) 11.461 4.280 ( 4.667 4.957 -5.928) 9.027 4.454 ( 5.389 -11.830 -10.101) 16.462 5.247 ( -1.815 4.206 1.895) 4.958 5.353 ( -3.809 -6.566 1.485) 7.735 6.414 ( -3.538 6.036 12.121) 13.995 6.506 ( -2.672 -3.618 9.407) 10.427 6.643 ( 3.470 3.554 -9.518) 10.736 6.678 ( 4.248 -0.314 -6.921) 8.127 8.477 ( 3.256 2.798 -1.909) 4.699 8.538 ( 5.096 -2.893 0.113) 5.861 8.630 ( -1.498 4.079 -3.378) 5.503 8.731 ( 0.584 -5.660 -4.515) 7.263 9.142 ( 2.126 3.578 1.792) 4.531 9.200 ( 2.019 -2.446 1.282) 3.421 9.420 ( -1.906 2.718 0.514) 3.360 9.460 ( -1.897 -1.506 0.436) 2.461 12.748 ( 0.310 2.380 1.631) 2.902 12.789 ( 0.841 -1.648 -0.075) 1.852 12.864 ( 3.312 4.629 -0.160) 5.694 12.941 ( 3.065 -3.063 -1.747) 4.672 13.506 ( -0.097 3.164 -0.283) 3.178 13.563 ( -0.838 -2.719 -0.659) 2.920 13.770 ( 0.182 1.240 -0.395) 1.314 13.797 ( -0.763 -1.514 -0.709) 1.837 14.610 ( 2.006 3.324 2.606) 4.676 14.664 ( 2.506 -2.166 0.618) 3.369 ======================= Grid point 346 (188/192) ======================= q-point: ( 0.44 0.45 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -1.083 2.027 -2.536) 3.422 2.159 ( -5.191 -7.638 -4.798) 10.407 3.045 ( -0.293 5.174 3.489) 6.247 3.072 ( 0.132 1.621 3.027) 3.436 3.123 ( -0.390 1.491 -1.247) 1.983 3.158 ( -0.793 -2.146 -0.920) 2.466 3.365 ( 2.009 3.263 0.731) 3.901 3.435 ( 0.771 -3.401 0.907) 3.603 3.573 ( -1.156 8.579 5.237) 10.117 3.737 ( -3.295 -5.394 1.155) 6.426 4.320 ( 2.342 1.732 -2.027) 3.549 4.461 ( 2.825 -11.164 -9.296) 14.800 5.258 ( 1.213 0.846 2.098) 2.566 5.306 ( -2.316 -4.050 1.520) 4.907 6.395 ( -7.306 6.440 12.274) 15.669 6.488 ( -5.650 -3.466 8.844) 11.052 6.653 ( 4.591 4.132 -9.130) 11.023 6.704 ( 4.054 -1.184 -7.733) 8.811 8.505 ( 0.817 4.334 0.089) 4.411 8.578 ( -0.597 0.961 -2.000) 2.298 8.622 ( 2.623 -0.256 -0.898) 2.784 8.720 ( 1.693 -6.055 -5.078) 8.082 9.191 ( 1.579 3.233 1.615) 3.944 9.228 ( -0.256 -0.456 0.931) 1.068 9.390 ( -0.934 1.271 0.381) 1.622 9.419 ( -2.048 -1.556 -0.233) 2.583 12.759 ( -0.591 2.620 1.837) 3.253 12.795 ( 0.173 -0.819 -0.653) 1.061 12.915 ( 1.677 3.081 0.355) 3.526 12.965 ( 1.112 -1.849 -2.180) 3.067 13.522 ( 1.202 2.048 0.641) 2.460 13.553 ( -0.197 -1.130 -0.301) 1.186 13.764 ( -0.367 0.075 -0.308) 0.485 13.774 ( -0.559 -1.032 -0.932) 1.499 14.662 ( 0.898 2.842 2.557) 3.927 14.702 ( 1.041 -1.219 -0.134) 1.609 ======================= Grid point 347 (189/192) ======================= q-point: (-0.44 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 0.479 -0.628 -1.963) 2.116 2.115 ( 6.159 -5.751 -1.423) 8.546 3.076 ( 0.563 3.156 2.137) 3.853 3.088 ( -0.907 2.560 1.935) 3.335 3.128 ( 2.981 2.551 -2.775) 4.805 3.168 ( 4.185 -0.889 -3.052) 5.255 3.393 ( -1.082 -0.225 1.121) 1.574 3.418 ( -0.825 -2.450 -1.895) 3.205 3.660 ( 3.578 5.371 7.316) 9.756 3.695 ( -0.060 2.817 -3.135) 4.215 4.325 ( -2.060 -3.246 2.183) 4.421 4.399 ( -1.508 -9.759 -8.506) 13.033 5.282 ( -0.627 0.203 0.143) 0.674 5.317 ( 2.999 -3.419 0.491) 4.574 6.371 ( -5.709 7.418 13.730) 16.617 6.473 ( -3.282 -3.373 9.501) 10.603 6.649 ( 2.051 3.701 -7.677) 8.766 6.702 ( 2.239 -1.778 -7.427) 7.958 8.524 ( 0.427 4.619 1.170) 4.784 8.552 ( 0.061 5.666 -3.781) 6.812 8.637 ( -1.143 -5.028 2.246) 5.624 8.686 ( -1.087 -6.186 -5.044) 8.055 9.212 ( -1.065 2.736 -0.213) 2.944 9.233 ( 1.265 0.645 0.377) 1.469 9.385 ( -0.939 0.295 1.016) 1.414 9.401 ( 0.788 -1.235 1.222) 1.908 12.757 ( -1.363 2.706 2.375) 3.849 12.787 ( -0.531 -0.286 -0.441) 0.747 12.933 ( -0.049 1.170 0.405) 1.240 12.951 ( -0.535 -0.571 -2.487) 2.607 13.537 ( -0.965 1.104 -0.791) 1.666 13.547 ( 0.668 0.167 0.234) 0.727 13.756 ( -0.292 0.012 0.352) 0.458 13.769 ( 0.619 -1.399 -0.376) 1.575 14.678 ( -1.288 2.135 1.733) 3.036 14.702 ( -0.437 -0.401 -0.789) 0.987 ======================= Grid point 348 (190/192) ======================= q-point: (-0.33 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 7.504 6.975 0.458) 10.256 2.278 ( 9.690 -7.785 0.676) 12.449 3.062 ( -1.781 4.338 -0.097) 4.690 3.105 ( -0.284 0.052 1.647) 1.672 3.187 ( 5.913 4.844 -4.730) 8.989 3.233 ( 3.054 0.153 -2.428) 3.904 3.354 ( -0.051 0.446 -1.974) 2.025 3.425 ( 1.382 -5.696 2.303) 6.297 3.684 ( 2.565 9.579 -5.269) 11.229 3.790 ( 4.014 0.553 4.899) 6.357 4.276 ( -2.889 -6.176 -3.314) 7.582 4.297 ( -4.036 -8.574 1.146) 9.545 5.283 ( 1.360 3.504 -1.148) 3.930 5.375 ( 3.028 -6.036 -0.532) 6.774 6.377 ( -6.615 8.208 14.049) 17.565 6.485 ( -5.581 -3.206 10.087) 11.965 6.634 ( 4.125 3.155 -7.689) 9.279 6.686 ( 2.473 -2.352 -6.337) 7.197 8.476 ( -4.385 5.444 -1.571) 7.165 8.533 ( -3.207 2.341 0.421) 3.993 8.628 ( 0.895 -4.489 -2.482) 5.207 8.657 ( 1.569 -4.879 1.606) 5.371 9.177 ( -1.961 3.012 -1.474) 3.885 9.222 ( -2.315 -1.723 -0.804) 2.996 9.408 ( 1.917 2.374 1.614) 3.452 9.445 ( 1.963 -1.441 1.833) 3.048 12.746 ( -1.970 2.684 2.808) 4.356 12.769 ( -1.066 0.106 -0.121) 1.078 12.905 ( -2.028 0.311 -2.746) 3.428 12.918 ( -1.890 -0.767 0.147) 2.045 13.509 ( -0.838 2.775 -0.656) 2.972 13.555 ( 0.314 -1.836 0.106) 1.865 13.759 ( 0.056 0.950 0.580) 1.115 13.788 ( 1.123 -1.974 0.193) 2.279 14.642 ( -2.762 2.394 0.006) 3.655 14.675 ( -1.836 -0.941 -0.655) 2.164 ======================= Grid point 349 (191/192) ======================= q-point: (-0.22 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 11.773 9.093 3.287) 15.234 2.469 ( 8.595 -3.359 1.106) 9.294 3.015 ( -2.527 4.074 -1.100) 4.919 3.080 ( -1.826 -2.558 -1.926) 3.686 3.249 ( 2.259 3.693 0.329) 4.342 3.274 ( 4.178 2.802 -2.284) 5.525 3.380 ( 2.556 3.425 1.541) 4.543 3.497 ( 2.758 -5.552 1.032) 6.285 3.712 ( 4.271 10.708 -3.412) 12.022 3.890 ( 3.136 -2.491 2.893) 4.941 4.214 ( 1.844 -6.099 -5.990) 8.745 4.262 ( -2.594 -8.394 4.608) 9.921 5.321 ( 3.431 4.816 -0.926) 5.985 5.429 ( 2.765 -6.281 -0.065) 6.863 6.313 ( -9.470 7.456 9.245) 15.190 6.406 ( -7.869 -2.188 4.615) 9.382 6.675 ( 3.390 1.771 -3.247) 5.017 6.705 ( 3.492 -1.825 -3.803) 5.477 8.371 ( -5.310 2.937 0.061) 6.068 8.431 ( -5.542 -2.523 -0.982) 6.168 8.674 ( 3.377 0.580 0.232) 3.434 8.717 ( 2.929 -3.500 1.661) 4.857 9.119 ( -2.313 2.102 -1.726) 3.571 9.157 ( -3.148 -1.944 -0.641) 3.755 9.452 ( 1.221 2.668 0.384) 2.959 9.487 ( 0.900 -0.999 0.629) 1.484 12.726 ( -2.481 2.830 2.950) 4.782 12.746 ( -1.110 0.231 -0.014) 1.134 12.834 ( -2.606 0.304 -2.817) 3.849 12.864 ( -3.249 -2.213 -0.465) 3.959 13.509 ( 0.969 3.619 0.776) 3.826 13.575 ( 1.481 -3.026 1.042) 3.527 13.760 ( -0.435 2.119 0.164) 2.169 13.807 ( 0.580 -2.659 -0.035) 2.722 14.583 ( -2.785 2.513 -0.592) 3.798 14.623 ( -2.559 -1.563 -1.124) 3.202 ======================= Grid point 350 (192/192) ======================= q-point: (-0.11 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 347 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 7.028 6.198 3.795) 10.110 2.621 ( 6.463 1.863 1.220) 6.836 2.957 ( -2.056 3.902 -0.907) 4.503 3.025 ( -1.582 -2.943 -2.809) 4.365 3.314 ( 2.952 3.380 3.419) 5.642 3.343 ( 4.224 2.594 -0.733) 5.011 3.422 ( -2.070 4.186 3.949) 6.115 3.515 ( -1.228 -2.414 0.746) 2.809 3.808 ( 7.189 9.536 -0.641) 11.959 3.954 ( 0.637 -0.572 2.744) 2.874 4.256 ( 5.678 -8.893 -5.096) 11.717 4.262 ( 1.329 -6.978 -0.363) 7.113 5.397 ( 4.588 4.096 -0.089) 6.151 5.475 ( 1.444 -3.819 0.492) 4.112 6.194 ( -8.220 6.019 6.018) 11.832 6.280 ( -7.002 -2.697 1.411) 7.635 6.697 ( 0.822 2.137 -1.106) 2.543 6.732 ( 1.716 -1.700 -2.932) 3.799 8.284 ( -3.484 0.872 0.478) 3.623 8.330 ( -3.362 -3.437 -1.603) 5.068 8.742 ( 2.633 1.907 1.648) 3.645 8.785 ( 2.594 -2.253 1.128) 3.616 9.072 ( -1.083 1.092 -1.101) 1.892 9.102 ( -1.880 -1.856 -0.638) 2.718 9.456 ( -0.519 2.380 -0.585) 2.505 9.483 ( -1.144 -0.490 -0.675) 1.416 12.700 ( -2.495 2.881 2.765) 4.709 12.730 ( -0.442 -0.163 -0.060) 0.475 12.771 ( -1.858 -0.269 -1.637) 2.491 12.800 ( -1.996 -2.472 -1.616) 3.565 13.558 ( 2.625 3.989 2.114) 5.222 13.631 ( 2.760 -3.272 2.063) 4.751 13.739 ( -1.523 2.880 -0.690) 3.330 13.802 ( -0.831 -3.405 -0.855) 3.608 14.534 ( -1.841 1.938 -0.222) 2.682 14.566 ( -1.954 -1.436 -1.470) 2.836 =================== 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 3/24948 10.0 2369.269 2066.999 1189.526 0.000 45.568 0.000 3/24948 20.0 252.527 179.379 189.630 0.000 1.495 0.000 3/24948 30.0 99.234 68.562 68.175 0.000 -3.321 0.000 3/24948 40.0 56.606 39.995 38.087 0.000 -2.934 0.000 3/24948 50.0 37.607 27.251 25.586 0.000 -2.437 0.000 3/24948 60.0 27.491 20.364 19.109 0.000 -2.076 0.000 3/24948 70.0 21.438 16.167 15.237 0.000 -1.811 0.000 3/24948 80.0 17.491 13.378 12.677 0.000 -1.605 0.000 3/24948 90.0 14.744 11.403 10.860 0.000 -1.440 0.000 3/24948 100.0 12.735 9.937 9.503 0.000 -1.304 0.000 3/24948 110.0 11.208 8.809 8.451 0.000 -1.191 0.000 3/24948 120.0 10.011 7.915 7.612 0.000 -1.095 0.000 3/24948 130.0 9.048 7.190 6.927 0.000 -1.013 0.000 3/24948 140.0 8.258 6.590 6.357 0.000 -0.943 0.000 3/24948 150.0 7.598 6.086 5.876 0.000 -0.881 0.000 3/24948 160.0 7.038 5.657 5.464 0.000 -0.827 0.000 3/24948 170.0 6.557 5.286 5.108 0.000 -0.779 0.000 3/24948 180.0 6.140 4.962 4.796 0.000 -0.737 0.000 3/24948 190.0 5.774 4.678 4.522 0.000 -0.699 0.000 3/24948 200.0 5.451 4.425 4.278 0.000 -0.664 0.000 3/24948 210.0 5.163 4.200 4.059 0.000 -0.633 0.000 3/24948 220.0 4.904 3.997 3.863 0.000 -0.605 0.000 3/24948 230.0 4.672 3.813 3.685 0.000 -0.579 0.000 3/24948 240.0 4.460 3.646 3.523 0.000 -0.555 0.000 3/24948 250.0 4.268 3.493 3.375 0.000 -0.533 0.000 3/24948 260.0 4.092 3.353 3.240 0.000 -0.513 0.000 3/24948 270.0 3.930 3.224 3.115 0.000 -0.494 0.000 3/24948 280.0 3.781 3.105 2.999 0.000 -0.477 0.000 3/24948 290.0 3.643 2.995 2.892 0.000 -0.461 0.000 3/24948 300.0 3.515 2.892 2.793 0.000 -0.446 0.000 3/24948 310.0 3.396 2.796 2.700 0.000 -0.432 0.000 3/24948 320.0 3.285 2.707 2.613 0.000 -0.418 0.000 3/24948 330.0 3.181 2.623 2.532 0.000 -0.406 0.000 3/24948 340.0 3.084 2.544 2.456 0.000 -0.394 0.000 3/24948 350.0 2.992 2.470 2.384 0.000 -0.383 0.000 3/24948 360.0 2.906 2.401 2.316 0.000 -0.372 0.000 3/24948 370.0 2.825 2.335 2.253 0.000 -0.362 0.000 3/24948 380.0 2.748 2.272 2.192 0.000 -0.353 0.000 3/24948 390.0 2.675 2.213 2.135 0.000 -0.344 0.000 3/24948 400.0 2.606 2.157 2.081 0.000 -0.336 0.000 3/24948 410.0 2.541 2.104 2.029 0.000 -0.328 0.000 3/24948 420.0 2.479 2.053 1.980 0.000 -0.320 0.000 3/24948 430.0 2.420 2.005 1.934 0.000 -0.312 0.000 3/24948 440.0 2.363 1.959 1.889 0.000 -0.305 0.000 3/24948 450.0 2.310 1.915 1.847 0.000 -0.299 0.000 3/24948 460.0 2.258 1.873 1.806 0.000 -0.292 0.000 3/24948 470.0 2.209 1.833 1.767 0.000 -0.286 0.000 3/24948 480.0 2.162 1.794 1.730 0.000 -0.280 0.000 3/24948 490.0 2.117 1.758 1.694 0.000 -0.275 0.000 3/24948 500.0 2.074 1.722 1.660 0.000 -0.269 0.000 3/24948 510.0 2.033 1.688 1.627 0.000 -0.264 0.000 3/24948 520.0 1.993 1.655 1.596 0.000 -0.259 0.000 3/24948 530.0 1.955 1.624 1.565 0.000 -0.254 0.000 3/24948 540.0 1.918 1.594 1.536 0.000 -0.249 0.000 3/24948 550.0 1.883 1.565 1.508 0.000 -0.245 0.000 3/24948 560.0 1.849 1.537 1.481 0.000 -0.240 0.000 3/24948 570.0 1.816 1.510 1.455 0.000 -0.236 0.000 3/24948 580.0 1.784 1.483 1.429 0.000 -0.232 0.000 3/24948 590.0 1.753 1.458 1.405 0.000 -0.228 0.000 3/24948 600.0 1.724 1.434 1.381 0.000 -0.225 0.000 3/24948 610.0 1.695 1.410 1.359 0.000 -0.221 0.000 3/24948 620.0 1.668 1.387 1.337 0.000 -0.217 0.000 3/24948 630.0 1.641 1.365 1.315 0.000 -0.214 0.000 3/24948 640.0 1.615 1.344 1.295 0.000 -0.211 0.000 3/24948 650.0 1.590 1.323 1.275 0.000 -0.207 0.000 3/24948 660.0 1.565 1.303 1.255 0.000 -0.204 0.000 3/24948 670.0 1.542 1.283 1.236 0.000 -0.201 0.000 3/24948 680.0 1.519 1.265 1.218 0.000 -0.198 0.000 3/24948 690.0 1.497 1.246 1.200 0.000 -0.195 0.000 3/24948 700.0 1.475 1.228 1.183 0.000 -0.193 0.000 3/24948 710.0 1.454 1.211 1.167 0.000 -0.190 0.000 3/24948 720.0 1.434 1.194 1.150 0.000 -0.187 0.000 3/24948 730.0 1.414 1.178 1.134 0.000 -0.185 0.000 3/24948 740.0 1.395 1.162 1.119 0.000 -0.182 0.000 3/24948 750.0 1.376 1.146 1.104 0.000 -0.180 0.000 3/24948 760.0 1.358 1.131 1.090 0.000 -0.178 0.000 3/24948 770.0 1.340 1.116 1.075 0.000 -0.175 0.000 3/24948 780.0 1.323 1.102 1.062 0.000 -0.173 0.000 3/24948 790.0 1.306 1.088 1.048 0.000 -0.171 0.000 3/24948 800.0 1.290 1.075 1.035 0.000 -0.169 0.000 3/24948 810.0 1.273 1.061 1.022 0.000 -0.167 0.000 3/24948 820.0 1.258 1.048 1.010 0.000 -0.165 0.000 3/24948 830.0 1.243 1.036 0.997 0.000 -0.163 0.000 3/24948 840.0 1.228 1.023 0.985 0.000 -0.161 0.000 3/24948 850.0 1.213 1.011 0.974 0.000 -0.159 0.000 3/24948 860.0 1.199 0.999 0.963 0.000 -0.157 0.000 3/24948 870.0 1.185 0.988 0.951 0.000 -0.155 0.000 3/24948 880.0 1.172 0.977 0.941 0.000 -0.153 0.000 3/24948 890.0 1.158 0.966 0.930 0.000 -0.152 0.000 3/24948 900.0 1.145 0.955 0.920 0.000 -0.150 0.000 3/24948 910.0 1.133 0.944 0.910 0.000 -0.148 0.000 3/24948 920.0 1.120 0.934 0.900 0.000 -0.147 0.000 3/24948 930.0 1.108 0.924 0.890 0.000 -0.145 0.000 3/24948 940.0 1.097 0.914 0.880 0.000 -0.144 0.000 3/24948 950.0 1.085 0.905 0.871 0.000 -0.142 0.000 3/24948 960.0 1.074 0.895 0.862 0.000 -0.141 0.000 3/24948 970.0 1.062 0.886 0.853 0.000 -0.139 0.000 3/24948 980.0 1.052 0.877 0.844 0.000 -0.138 0.000 3/24948 990.0 1.041 0.868 0.836 0.000 -0.136 0.000 3/24948 1000.0 1.030 0.859 0.828 0.000 -0.135 0.000 3/24948 Thermal conductivity related properties were written into "kappa-m9117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:44:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|