----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:22:04]------------------------- 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 5.161034660023971 0.000000000000000 0.000000000000000 b 0.000000000000000 5.132966559999998 0.000000000000000 c -0.899616435774775 0.000000000000000 5.143241918138305 Atomic positions (fractional): *1 O 0.54381545744846 0.74615568821549 0.01187160487988 15.999 2 O 0.45618454255154 0.24615568821549 0.48812839512012 15.999 3 O 0.45618454255154 0.25384431178451 0.98812839512012 15.999 4 O 0.54381545744846 0.75384431178451 0.51187160487988 15.999 *5 F 0.94242188501195 0.32748599040151 0.65930203022432 18.998 6 F 0.05757811498805 0.82748599040151 0.84069796977568 18.998 7 F 0.05757811498805 0.67251400959849 0.34069796977568 18.998 8 F 0.94242188501195 0.17251400959849 0.15930203022432 18.998 *9 Sc 0.69187559106174 0.47203956940954 0.28783997583151 44.956 10 Sc 0.30812440893826 0.97203956940954 0.21216002416849 44.956 11 Sc 0.30812440893826 0.52796043059046 0.71216002416849 44.956 12 Sc 0.69187559106174 0.02796043059046 0.78783997583151 44.956 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.161034660023971 0.000000000000000 0.000000000000000 b 0.000000000000000 5.132966559999998 0.000000000000000 c -0.899616435774775 0.000000000000000 5.143241918138305 Atomic positions (fractional): *1 O 0.54381545744846 0.74615568821549 0.01187160487988 15.999 > 1 2 O 0.45618454255154 0.24615568821549 0.48812839512012 15.999 > 2 3 O 0.45618454255154 0.25384431178451 0.98812839512012 15.999 > 3 4 O 0.54381545744846 0.75384431178451 0.51187160487988 15.999 > 4 *5 F 0.94242188501195 0.32748599040151 0.65930203022432 18.998 > 5 6 F 0.05757811498805 0.82748599040151 0.84069796977568 18.998 > 6 7 F 0.05757811498805 0.67251400959849 0.34069796977568 18.998 > 7 8 F 0.94242188501195 0.17251400959849 0.15930203022432 18.998 > 8 *9 Sc 0.69187559106174 0.47203956940954 0.28783997583151 44.956 > 9 10 Sc 0.30812440893826 0.97203956940954 0.21216002416849 44.956 > 10 11 Sc 0.30812440893826 0.52796043059046 0.71216002416849 44.956 > 11 12 Sc 0.69187559106174 0.02796043059046 0.78783997583151 44.956 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.322069320047943 0.000000000000000 0.000000000000000 b 0.000000000000000 15.398899679999994 0.000000000000000 c -1.799232871549550 0.000000000000000 10.286483836276609 Atomic positions (fractional): *1 O 0.27190772872423 0.24871856273850 0.00593580243994 15.999 > 1 2 O 0.77190772872423 0.24871856273850 0.00593580243994 15.999 > 1 3 O 0.27190772872423 0.58205189607183 0.00593580243994 15.999 > 1 4 O 0.77190772872423 0.58205189607183 0.00593580243994 15.999 > 1 5 O 0.27190772872423 0.91538522940516 0.00593580243994 15.999 > 1 6 O 0.77190772872423 0.91538522940516 0.00593580243994 15.999 > 1 7 O 0.27190772872423 0.24871856273850 0.50593580243994 15.999 > 1 8 O 0.77190772872423 0.24871856273850 0.50593580243994 15.999 > 1 9 O 0.27190772872423 0.58205189607183 0.50593580243994 15.999 > 1 10 O 0.77190772872423 0.58205189607183 0.50593580243994 15.999 > 1 11 O 0.27190772872423 0.91538522940516 0.50593580243994 15.999 > 1 12 O 0.77190772872423 0.91538522940516 0.50593580243994 15.999 > 1 13 O 0.22809227127577 0.08205189607183 0.24406419756006 15.999 > 2 14 O 0.72809227127577 0.08205189607183 0.24406419756006 15.999 > 2 15 O 0.22809227127577 0.41538522940516 0.24406419756006 15.999 > 2 16 O 0.72809227127577 0.41538522940516 0.24406419756006 15.999 > 2 17 O 0.22809227127577 0.74871856273850 0.24406419756006 15.999 > 2 18 O 0.72809227127577 0.74871856273850 0.24406419756006 15.999 > 2 19 O 0.22809227127577 0.08205189607183 0.74406419756006 15.999 > 2 20 O 0.72809227127577 0.08205189607183 0.74406419756006 15.999 > 2 21 O 0.22809227127577 0.41538522940516 0.74406419756006 15.999 > 2 22 O 0.72809227127577 0.41538522940516 0.74406419756006 15.999 > 2 23 O 0.22809227127577 0.74871856273850 0.74406419756006 15.999 > 2 24 O 0.72809227127577 0.74871856273850 0.74406419756006 15.999 > 2 25 O 0.22809227127577 0.08461477059484 0.49406419756006 15.999 > 3 26 O 0.72809227127577 0.08461477059484 0.49406419756006 15.999 > 3 27 O 0.22809227127577 0.41794810392817 0.49406419756006 15.999 > 3 28 O 0.72809227127577 0.41794810392817 0.49406419756006 15.999 > 3 29 O 0.22809227127577 0.75128143726150 0.49406419756006 15.999 > 3 30 O 0.72809227127577 0.75128143726150 0.49406419756006 15.999 > 3 31 O 0.22809227127577 0.08461477059484 0.99406419756006 15.999 > 3 32 O 0.72809227127577 0.08461477059484 0.99406419756006 15.999 > 3 33 O 0.22809227127577 0.41794810392817 0.99406419756006 15.999 > 3 34 O 0.72809227127577 0.41794810392817 0.99406419756006 15.999 > 3 35 O 0.22809227127577 0.75128143726150 0.99406419756006 15.999 > 3 36 O 0.72809227127577 0.75128143726150 0.99406419756006 15.999 > 3 37 O 0.27190772872423 0.25128143726150 0.25593580243994 15.999 > 4 38 O 0.77190772872423 0.25128143726150 0.25593580243994 15.999 > 4 39 O 0.27190772872423 0.58461477059484 0.25593580243994 15.999 > 4 40 O 0.77190772872423 0.58461477059484 0.25593580243994 15.999 > 4 41 O 0.27190772872423 0.91794810392817 0.25593580243994 15.999 > 4 42 O 0.77190772872423 0.91794810392817 0.25593580243994 15.999 > 4 43 O 0.27190772872423 0.25128143726150 0.75593580243994 15.999 > 4 44 O 0.77190772872423 0.25128143726150 0.75593580243994 15.999 > 4 45 O 0.27190772872423 0.58461477059484 0.75593580243994 15.999 > 4 46 O 0.77190772872423 0.58461477059484 0.75593580243994 15.999 > 4 47 O 0.27190772872423 0.91794810392817 0.75593580243994 15.999 > 4 48 O 0.77190772872423 0.91794810392817 0.75593580243994 15.999 > 4 *49 F 0.47121094250598 0.10916199680050 0.32965101511216 18.998 > 5 50 F 0.97121094250598 0.10916199680050 0.32965101511216 18.998 > 5 51 F 0.47121094250598 0.44249533013384 0.32965101511216 18.998 > 5 52 F 0.97121094250598 0.44249533013384 0.32965101511216 18.998 > 5 53 F 0.47121094250598 0.77582866346717 0.32965101511216 18.998 > 5 54 F 0.97121094250598 0.77582866346717 0.32965101511216 18.998 > 5 55 F 0.47121094250598 0.10916199680050 0.82965101511216 18.998 > 5 56 F 0.97121094250598 0.10916199680050 0.82965101511216 18.998 > 5 57 F 0.47121094250598 0.44249533013384 0.82965101511216 18.998 > 5 58 F 0.97121094250598 0.44249533013384 0.82965101511216 18.998 > 5 59 F 0.47121094250598 0.77582866346717 0.82965101511216 18.998 > 5 60 F 0.97121094250598 0.77582866346717 0.82965101511216 18.998 > 5 61 F 0.02878905749402 0.27582866346717 0.42034898488784 18.998 > 6 62 F 0.52878905749402 0.27582866346717 0.42034898488784 18.998 > 6 63 F 0.02878905749402 0.60916199680050 0.42034898488784 18.998 > 6 64 F 0.52878905749402 0.60916199680050 0.42034898488784 18.998 > 6 65 F 0.02878905749402 0.94249533013384 0.42034898488784 18.998 > 6 66 F 0.52878905749402 0.94249533013384 0.42034898488784 18.998 > 6 67 F 0.02878905749402 0.27582866346717 0.92034898488784 18.998 > 6 68 F 0.52878905749402 0.27582866346717 0.92034898488784 18.998 > 6 69 F 0.02878905749402 0.60916199680050 0.92034898488784 18.998 > 6 70 F 0.52878905749402 0.60916199680050 0.92034898488784 18.998 > 6 71 F 0.02878905749402 0.94249533013384 0.92034898488784 18.998 > 6 72 F 0.52878905749402 0.94249533013384 0.92034898488784 18.998 > 6 73 F 0.02878905749402 0.22417133653283 0.17034898488784 18.998 > 7 74 F 0.52878905749402 0.22417133653283 0.17034898488784 18.998 > 7 75 F 0.02878905749402 0.55750466986616 0.17034898488784 18.998 > 7 76 F 0.52878905749402 0.55750466986616 0.17034898488784 18.998 > 7 77 F 0.02878905749402 0.89083800319950 0.17034898488784 18.998 > 7 78 F 0.52878905749402 0.89083800319950 0.17034898488784 18.998 > 7 79 F 0.02878905749402 0.22417133653283 0.67034898488784 18.998 > 7 80 F 0.52878905749402 0.22417133653283 0.67034898488784 18.998 > 7 81 F 0.02878905749402 0.55750466986616 0.67034898488784 18.998 > 7 82 F 0.52878905749402 0.55750466986616 0.67034898488784 18.998 > 7 83 F 0.02878905749402 0.89083800319950 0.67034898488784 18.998 > 7 84 F 0.52878905749402 0.89083800319950 0.67034898488784 18.998 > 7 85 F 0.47121094250598 0.05750466986616 0.07965101511216 18.998 > 8 86 F 0.97121094250598 0.05750466986616 0.07965101511216 18.998 > 8 87 F 0.47121094250598 0.39083800319950 0.07965101511216 18.998 > 8 88 F 0.97121094250598 0.39083800319950 0.07965101511216 18.998 > 8 89 F 0.47121094250598 0.72417133653283 0.07965101511216 18.998 > 8 90 F 0.97121094250598 0.72417133653283 0.07965101511216 18.998 > 8 91 F 0.47121094250598 0.05750466986616 0.57965101511216 18.998 > 8 92 F 0.97121094250598 0.05750466986616 0.57965101511216 18.998 > 8 93 F 0.47121094250598 0.39083800319950 0.57965101511216 18.998 > 8 94 F 0.97121094250598 0.39083800319950 0.57965101511216 18.998 > 8 95 F 0.47121094250598 0.72417133653283 0.57965101511216 18.998 > 8 96 F 0.97121094250598 0.72417133653283 0.57965101511216 18.998 > 8 *97 Sc 0.34593779553087 0.15734652313651 0.14391998791575 44.956 > 9 98 Sc 0.84593779553087 0.15734652313651 0.14391998791575 44.956 > 9 99 Sc 0.34593779553087 0.49067985646985 0.14391998791575 44.956 > 9 100 Sc 0.84593779553087 0.49067985646985 0.14391998791575 44.956 > 9 101 Sc 0.34593779553087 0.82401318980318 0.14391998791575 44.956 > 9 102 Sc 0.84593779553087 0.82401318980318 0.14391998791575 44.956 > 9 103 Sc 0.34593779553087 0.15734652313651 0.64391998791575 44.956 > 9 104 Sc 0.84593779553087 0.15734652313651 0.64391998791575 44.956 > 9 105 Sc 0.34593779553087 0.49067985646985 0.64391998791575 44.956 > 9 106 Sc 0.84593779553087 0.49067985646985 0.64391998791575 44.956 > 9 107 Sc 0.34593779553087 0.82401318980318 0.64391998791575 44.956 > 9 108 Sc 0.84593779553087 0.82401318980318 0.64391998791575 44.956 > 9 109 Sc 0.15406220446913 0.32401318980318 0.10608001208425 44.956 > 10 110 Sc 0.65406220446913 0.32401318980318 0.10608001208425 44.956 > 10 111 Sc 0.15406220446913 0.65734652313651 0.10608001208425 44.956 > 10 112 Sc 0.65406220446913 0.65734652313651 0.10608001208425 44.956 > 10 113 Sc 0.15406220446913 0.99067985646985 0.10608001208425 44.956 > 10 114 Sc 0.65406220446913 0.99067985646985 0.10608001208425 44.956 > 10 115 Sc 0.15406220446913 0.32401318980318 0.60608001208425 44.956 > 10 116 Sc 0.65406220446913 0.32401318980318 0.60608001208425 44.956 > 10 117 Sc 0.15406220446913 0.65734652313651 0.60608001208425 44.956 > 10 118 Sc 0.65406220446913 0.65734652313651 0.60608001208425 44.956 > 10 119 Sc 0.15406220446913 0.99067985646985 0.60608001208425 44.956 > 10 120 Sc 0.65406220446913 0.99067985646985 0.60608001208425 44.956 > 10 121 Sc 0.15406220446913 0.17598681019682 0.35608001208425 44.956 > 11 122 Sc 0.65406220446913 0.17598681019682 0.35608001208425 44.956 > 11 123 Sc 0.15406220446913 0.50932014353015 0.35608001208425 44.956 > 11 124 Sc 0.65406220446913 0.50932014353015 0.35608001208425 44.956 > 11 125 Sc 0.15406220446913 0.84265347686349 0.35608001208425 44.956 > 11 126 Sc 0.65406220446913 0.84265347686349 0.35608001208425 44.956 > 11 127 Sc 0.15406220446913 0.17598681019682 0.85608001208425 44.956 > 11 128 Sc 0.65406220446913 0.17598681019682 0.85608001208425 44.956 > 11 129 Sc 0.15406220446913 0.50932014353015 0.85608001208425 44.956 > 11 130 Sc 0.65406220446913 0.50932014353015 0.85608001208425 44.956 > 11 131 Sc 0.15406220446913 0.84265347686349 0.85608001208425 44.956 > 11 132 Sc 0.65406220446913 0.84265347686349 0.85608001208425 44.956 > 11 133 Sc 0.34593779553087 0.00932014353015 0.39391998791575 44.956 > 12 134 Sc 0.84593779553087 0.00932014353015 0.39391998791575 44.956 > 12 135 Sc 0.34593779553087 0.34265347686349 0.39391998791575 44.956 > 12 136 Sc 0.84593779553087 0.34265347686349 0.39391998791575 44.956 > 12 137 Sc 0.34593779553087 0.67598681019682 0.39391998791575 44.956 > 12 138 Sc 0.84593779553087 0.67598681019682 0.39391998791575 44.956 > 12 139 Sc 0.34593779553087 0.00932014353015 0.89391998791575 44.956 > 12 140 Sc 0.84593779553087 0.00932014353015 0.89391998791575 44.956 > 12 141 Sc 0.34593779553087 0.34265347686349 0.89391998791575 44.956 > 12 142 Sc 0.84593779553087 0.34265347686349 0.89391998791575 44.956 > 12 143 Sc 0.34593779553087 0.67598681019682 0.89391998791575 44.956 > 12 144 Sc 0.84593779553087 0.67598681019682 0.89391998791575 44.956 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3306843 0.0000000 -0.0873248 0.0000000 4.0707493 0.0000000 -0.0873248 0.0000000 3.9703454 -------------------------- Born effective charges -------------------------- 1 O -1.4803719 -0.0126949 0.2292408 0.0603284 -2.7714477 0.1688309 0.2234092 0.3311430 -2.6838983 2 O -1.4803719 0.0126949 0.2292408 -0.0603284 -2.7714477 -0.1688309 0.2234092 -0.3311430 -2.6838983 3 O -1.4803719 -0.0126949 0.2292408 0.0603284 -2.7714477 0.1688309 0.2234092 0.3311430 -2.6838983 4 O -1.4803719 0.0126949 0.2292408 -0.0603284 -2.7714477 -0.1688309 0.2234092 -0.3311430 -2.6838983 5 F -1.7525587 -0.4970794 -0.1706734 -0.4965742 -1.2306778 0.2600332 -0.1528881 0.2494426 -1.1053138 6 F -1.7525587 0.4970794 -0.1706734 0.4965742 -1.2306778 -0.2600332 -0.1528881 -0.2494426 -1.1053138 7 F -1.7525587 -0.4970794 -0.1706734 -0.4965742 -1.2306778 0.2600332 -0.1528881 0.2494426 -1.1053138 8 F -1.7525587 0.4970794 -0.1706734 0.4965742 -1.2306778 -0.2600332 -0.1528881 -0.2494426 -1.1053138 9 Sc 3.2329306 -0.1128482 -0.0585675 0.0456277 4.0021255 0.0236487 -0.0705211 0.0948686 3.7892122 10 Sc 3.2329306 0.1128482 -0.0585675 -0.0456277 4.0021255 -0.0236487 -0.0705211 -0.0948686 3.7892122 11 Sc 3.2329306 -0.1128482 -0.0585675 0.0456277 4.0021255 0.0236487 -0.0705211 0.0948686 3.7892122 12 Sc 3.2329306 0.1128482 -0.0585675 -0.0456277 4.0021255 -0.0236487 -0.0705211 -0.0948686 3.7892122 ---------------------------------------------------------------------------- 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): 0.006 Solver_block: 100 / 400 - Time: 4.624 Solver_block: 200 / 400 - Time: 4.699 Solver_block: 300 / 400 - Time: 4.691 Solver_block: 400 / 400 - Time: 4.699 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.769 --------------------------------- 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 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:22:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:22:45]------------------------- 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 5.161034660023971 0.000000000000000 0.000000000000000 b 0.000000000000000 5.132966559999998 0.000000000000000 c -0.899616435774775 0.000000000000000 5.143241918138305 Atomic positions (fractional): 1 O 0.54381545744846 0.74615568821549 0.01187160487988 15.999 2 O 0.45618454255154 0.24615568821549 0.48812839512012 15.999 3 O 0.45618454255154 0.25384431178451 0.98812839512012 15.999 4 O 0.54381545744846 0.75384431178451 0.51187160487988 15.999 5 F 0.94242188501195 0.32748599040151 0.65930203022432 18.998 6 F 0.05757811498805 0.82748599040151 0.84069796977568 18.998 7 F 0.05757811498805 0.67251400959849 0.34069796977568 18.998 8 F 0.94242188501195 0.17251400959849 0.15930203022432 18.998 9 Sc 0.69187559106174 0.47203956940954 0.28783997583151 44.956 10 Sc 0.30812440893826 0.97203956940954 0.21216002416849 44.956 11 Sc 0.30812440893826 0.52796043059046 0.71216002416849 44.956 12 Sc 0.69187559106174 0.02796043059046 0.78783997583151 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.322069320047943 0.000000000000000 0.000000000000000 b 0.000000000000000 15.398899679999994 0.000000000000000 c -1.799232871549550 0.000000000000000 10.286483836276609 Atomic positions (fractional): 1 O 0.27190772872423 0.24871856273850 0.00593580243994 15.999 > 1 2 O 0.77190772872423 0.24871856273850 0.00593580243994 15.999 > 1 3 O 0.27190772872423 0.58205189607183 0.00593580243994 15.999 > 1 4 O 0.77190772872423 0.58205189607183 0.00593580243994 15.999 > 1 5 O 0.27190772872423 0.91538522940516 0.00593580243994 15.999 > 1 6 O 0.77190772872423 0.91538522940516 0.00593580243994 15.999 > 1 7 O 0.27190772872423 0.24871856273850 0.50593580243994 15.999 > 1 8 O 0.77190772872423 0.24871856273850 0.50593580243994 15.999 > 1 9 O 0.27190772872423 0.58205189607183 0.50593580243994 15.999 > 1 10 O 0.77190772872423 0.58205189607183 0.50593580243994 15.999 > 1 11 O 0.27190772872423 0.91538522940516 0.50593580243994 15.999 > 1 12 O 0.77190772872423 0.91538522940516 0.50593580243994 15.999 > 1 13 O 0.22809227127577 0.08205189607183 0.24406419756006 15.999 > 13 14 O 0.72809227127577 0.08205189607183 0.24406419756006 15.999 > 13 15 O 0.22809227127577 0.41538522940516 0.24406419756006 15.999 > 13 16 O 0.72809227127577 0.41538522940516 0.24406419756006 15.999 > 13 17 O 0.22809227127577 0.74871856273850 0.24406419756006 15.999 > 13 18 O 0.72809227127577 0.74871856273850 0.24406419756006 15.999 > 13 19 O 0.22809227127577 0.08205189607183 0.74406419756006 15.999 > 13 20 O 0.72809227127577 0.08205189607183 0.74406419756006 15.999 > 13 21 O 0.22809227127577 0.41538522940516 0.74406419756006 15.999 > 13 22 O 0.72809227127577 0.41538522940516 0.74406419756006 15.999 > 13 23 O 0.22809227127577 0.74871856273850 0.74406419756006 15.999 > 13 24 O 0.72809227127577 0.74871856273850 0.74406419756006 15.999 > 13 25 O 0.22809227127577 0.08461477059484 0.49406419756006 15.999 > 25 26 O 0.72809227127577 0.08461477059484 0.49406419756006 15.999 > 25 27 O 0.22809227127577 0.41794810392817 0.49406419756006 15.999 > 25 28 O 0.72809227127577 0.41794810392817 0.49406419756006 15.999 > 25 29 O 0.22809227127577 0.75128143726150 0.49406419756006 15.999 > 25 30 O 0.72809227127577 0.75128143726150 0.49406419756006 15.999 > 25 31 O 0.22809227127577 0.08461477059484 0.99406419756006 15.999 > 25 32 O 0.72809227127577 0.08461477059484 0.99406419756006 15.999 > 25 33 O 0.22809227127577 0.41794810392817 0.99406419756006 15.999 > 25 34 O 0.72809227127577 0.41794810392817 0.99406419756006 15.999 > 25 35 O 0.22809227127577 0.75128143726150 0.99406419756006 15.999 > 25 36 O 0.72809227127577 0.75128143726150 0.99406419756006 15.999 > 25 37 O 0.27190772872423 0.25128143726150 0.25593580243994 15.999 > 37 38 O 0.77190772872423 0.25128143726150 0.25593580243994 15.999 > 37 39 O 0.27190772872423 0.58461477059484 0.25593580243994 15.999 > 37 40 O 0.77190772872423 0.58461477059484 0.25593580243994 15.999 > 37 41 O 0.27190772872423 0.91794810392817 0.25593580243994 15.999 > 37 42 O 0.77190772872423 0.91794810392817 0.25593580243994 15.999 > 37 43 O 0.27190772872423 0.25128143726150 0.75593580243994 15.999 > 37 44 O 0.77190772872423 0.25128143726150 0.75593580243994 15.999 > 37 45 O 0.27190772872423 0.58461477059484 0.75593580243994 15.999 > 37 46 O 0.77190772872423 0.58461477059484 0.75593580243994 15.999 > 37 47 O 0.27190772872423 0.91794810392817 0.75593580243994 15.999 > 37 48 O 0.77190772872423 0.91794810392817 0.75593580243994 15.999 > 37 49 F 0.47121094250598 0.10916199680050 0.32965101511216 18.998 > 49 50 F 0.97121094250598 0.10916199680050 0.32965101511216 18.998 > 49 51 F 0.47121094250598 0.44249533013384 0.32965101511216 18.998 > 49 52 F 0.97121094250598 0.44249533013384 0.32965101511216 18.998 > 49 53 F 0.47121094250598 0.77582866346717 0.32965101511216 18.998 > 49 54 F 0.97121094250598 0.77582866346717 0.32965101511216 18.998 > 49 55 F 0.47121094250598 0.10916199680050 0.82965101511216 18.998 > 49 56 F 0.97121094250598 0.10916199680050 0.82965101511216 18.998 > 49 57 F 0.47121094250598 0.44249533013384 0.82965101511216 18.998 > 49 58 F 0.97121094250598 0.44249533013384 0.82965101511216 18.998 > 49 59 F 0.47121094250598 0.77582866346717 0.82965101511216 18.998 > 49 60 F 0.97121094250598 0.77582866346717 0.82965101511216 18.998 > 49 61 F 0.02878905749402 0.27582866346717 0.42034898488784 18.998 > 61 62 F 0.52878905749402 0.27582866346717 0.42034898488784 18.998 > 61 63 F 0.02878905749402 0.60916199680050 0.42034898488784 18.998 > 61 64 F 0.52878905749402 0.60916199680050 0.42034898488784 18.998 > 61 65 F 0.02878905749402 0.94249533013384 0.42034898488784 18.998 > 61 66 F 0.52878905749402 0.94249533013384 0.42034898488784 18.998 > 61 67 F 0.02878905749402 0.27582866346717 0.92034898488784 18.998 > 61 68 F 0.52878905749402 0.27582866346717 0.92034898488784 18.998 > 61 69 F 0.02878905749402 0.60916199680050 0.92034898488784 18.998 > 61 70 F 0.52878905749402 0.60916199680050 0.92034898488784 18.998 > 61 71 F 0.02878905749402 0.94249533013384 0.92034898488784 18.998 > 61 72 F 0.52878905749402 0.94249533013384 0.92034898488784 18.998 > 61 73 F 0.02878905749402 0.22417133653283 0.17034898488784 18.998 > 73 74 F 0.52878905749402 0.22417133653283 0.17034898488784 18.998 > 73 75 F 0.02878905749402 0.55750466986616 0.17034898488784 18.998 > 73 76 F 0.52878905749402 0.55750466986616 0.17034898488784 18.998 > 73 77 F 0.02878905749402 0.89083800319950 0.17034898488784 18.998 > 73 78 F 0.52878905749402 0.89083800319950 0.17034898488784 18.998 > 73 79 F 0.02878905749402 0.22417133653283 0.67034898488784 18.998 > 73 80 F 0.52878905749402 0.22417133653283 0.67034898488784 18.998 > 73 81 F 0.02878905749402 0.55750466986616 0.67034898488784 18.998 > 73 82 F 0.52878905749402 0.55750466986616 0.67034898488784 18.998 > 73 83 F 0.02878905749402 0.89083800319950 0.67034898488784 18.998 > 73 84 F 0.52878905749402 0.89083800319950 0.67034898488784 18.998 > 73 85 F 0.47121094250598 0.05750466986616 0.07965101511216 18.998 > 85 86 F 0.97121094250598 0.05750466986616 0.07965101511216 18.998 > 85 87 F 0.47121094250598 0.39083800319950 0.07965101511216 18.998 > 85 88 F 0.97121094250598 0.39083800319950 0.07965101511216 18.998 > 85 89 F 0.47121094250598 0.72417133653283 0.07965101511216 18.998 > 85 90 F 0.97121094250598 0.72417133653283 0.07965101511216 18.998 > 85 91 F 0.47121094250598 0.05750466986616 0.57965101511216 18.998 > 85 92 F 0.97121094250598 0.05750466986616 0.57965101511216 18.998 > 85 93 F 0.47121094250598 0.39083800319950 0.57965101511216 18.998 > 85 94 F 0.97121094250598 0.39083800319950 0.57965101511216 18.998 > 85 95 F 0.47121094250598 0.72417133653283 0.57965101511216 18.998 > 85 96 F 0.97121094250598 0.72417133653283 0.57965101511216 18.998 > 85 97 Sc 0.34593779553087 0.15734652313651 0.14391998791575 44.956 > 97 98 Sc 0.84593779553087 0.15734652313651 0.14391998791575 44.956 > 97 99 Sc 0.34593779553087 0.49067985646985 0.14391998791575 44.956 > 97 100 Sc 0.84593779553087 0.49067985646985 0.14391998791575 44.956 > 97 101 Sc 0.34593779553087 0.82401318980318 0.14391998791575 44.956 > 97 102 Sc 0.84593779553087 0.82401318980318 0.14391998791575 44.956 > 97 103 Sc 0.34593779553087 0.15734652313651 0.64391998791575 44.956 > 97 104 Sc 0.84593779553087 0.15734652313651 0.64391998791575 44.956 > 97 105 Sc 0.34593779553087 0.49067985646985 0.64391998791575 44.956 > 97 106 Sc 0.84593779553087 0.49067985646985 0.64391998791575 44.956 > 97 107 Sc 0.34593779553087 0.82401318980318 0.64391998791575 44.956 > 97 108 Sc 0.84593779553087 0.82401318980318 0.64391998791575 44.956 > 97 109 Sc 0.15406220446913 0.32401318980318 0.10608001208425 44.956 > 109 110 Sc 0.65406220446913 0.32401318980318 0.10608001208425 44.956 > 109 111 Sc 0.15406220446913 0.65734652313651 0.10608001208425 44.956 > 109 112 Sc 0.65406220446913 0.65734652313651 0.10608001208425 44.956 > 109 113 Sc 0.15406220446913 0.99067985646985 0.10608001208425 44.956 > 109 114 Sc 0.65406220446913 0.99067985646985 0.10608001208425 44.956 > 109 115 Sc 0.15406220446913 0.32401318980318 0.60608001208425 44.956 > 109 116 Sc 0.65406220446913 0.32401318980318 0.60608001208425 44.956 > 109 117 Sc 0.15406220446913 0.65734652313651 0.60608001208425 44.956 > 109 118 Sc 0.65406220446913 0.65734652313651 0.60608001208425 44.956 > 109 119 Sc 0.15406220446913 0.99067985646985 0.60608001208425 44.956 > 109 120 Sc 0.65406220446913 0.99067985646985 0.60608001208425 44.956 > 109 121 Sc 0.15406220446913 0.17598681019682 0.35608001208425 44.956 > 121 122 Sc 0.65406220446913 0.17598681019682 0.35608001208425 44.956 > 121 123 Sc 0.15406220446913 0.50932014353015 0.35608001208425 44.956 > 121 124 Sc 0.65406220446913 0.50932014353015 0.35608001208425 44.956 > 121 125 Sc 0.15406220446913 0.84265347686349 0.35608001208425 44.956 > 121 126 Sc 0.65406220446913 0.84265347686349 0.35608001208425 44.956 > 121 127 Sc 0.15406220446913 0.17598681019682 0.85608001208425 44.956 > 121 128 Sc 0.65406220446913 0.17598681019682 0.85608001208425 44.956 > 121 129 Sc 0.15406220446913 0.50932014353015 0.85608001208425 44.956 > 121 130 Sc 0.65406220446913 0.50932014353015 0.85608001208425 44.956 > 121 131 Sc 0.15406220446913 0.84265347686349 0.85608001208425 44.956 > 121 132 Sc 0.65406220446913 0.84265347686349 0.85608001208425 44.956 > 121 133 Sc 0.34593779553087 0.00932014353015 0.39391998791575 44.956 > 133 134 Sc 0.84593779553087 0.00932014353015 0.39391998791575 44.956 > 133 135 Sc 0.34593779553087 0.34265347686349 0.39391998791575 44.956 > 133 136 Sc 0.84593779553087 0.34265347686349 0.39391998791575 44.956 > 133 137 Sc 0.34593779553087 0.67598681019682 0.39391998791575 44.956 > 133 138 Sc 0.84593779553087 0.67598681019682 0.39391998791575 44.956 > 133 139 Sc 0.34593779553087 0.00932014353015 0.89391998791575 44.956 > 133 140 Sc 0.84593779553087 0.00932014353015 0.89391998791575 44.956 > 133 141 Sc 0.34593779553087 0.34265347686349 0.89391998791575 44.956 > 133 142 Sc 0.84593779553087 0.34265347686349 0.89391998791575 44.956 > 133 143 Sc 0.34593779553087 0.67598681019682 0.89391998791575 44.956 > 133 144 Sc 0.84593779553087 0.67598681019682 0.89391998791575 44.956 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3306843 0.0000000 -0.0873248 0.0000000 4.0707493 0.0000000 -0.0873248 0.0000000 3.9703454 -------------------------- Born effective charges -------------------------- 1 O -1.4803719 -0.0126949 0.2292408 0.0603284 -2.7714477 0.1688309 0.2234092 0.3311430 -2.6838983 2 O -1.4803719 0.0126949 0.2292408 -0.0603284 -2.7714477 -0.1688309 0.2234092 -0.3311430 -2.6838983 3 O -1.4803719 -0.0126949 0.2292408 0.0603284 -2.7714477 0.1688309 0.2234092 0.3311430 -2.6838983 4 O -1.4803719 0.0126949 0.2292408 -0.0603284 -2.7714477 -0.1688309 0.2234092 -0.3311430 -2.6838983 5 F -1.7525587 -0.4970794 -0.1706734 -0.4965742 -1.2306778 0.2600332 -0.1528881 0.2494426 -1.1053138 6 F -1.7525587 0.4970794 -0.1706734 0.4965742 -1.2306778 -0.2600332 -0.1528881 -0.2494426 -1.1053138 7 F -1.7525587 -0.4970794 -0.1706734 -0.4965742 -1.2306778 0.2600332 -0.1528881 0.2494426 -1.1053138 8 F -1.7525587 0.4970794 -0.1706734 0.4965742 -1.2306778 -0.2600332 -0.1528881 -0.2494426 -1.1053138 9 Sc 3.2329306 -0.1128482 -0.0585675 0.0456277 4.0021255 0.0236487 -0.0705211 0.0948686 3.7892122 10 Sc 3.2329306 0.1128482 -0.0585675 -0.0456277 4.0021255 -0.0236487 -0.0705211 -0.0948686 3.7892122 11 Sc 3.2329306 -0.1128482 -0.0585675 0.0456277 4.0021255 0.0236487 -0.0705211 0.0948686 3.7892122 12 Sc 3.2329306 0.1128482 -0.0585675 -0.0456277 4.0021255 -0.0236487 -0.0705211 -0.0948686 3.7892122 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:23:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:23:06]------------------------- 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 5.161034660023971 0.000000000000000 0.000000000000000 b 0.000000000000000 5.132966559999998 0.000000000000000 c -0.899616435774775 0.000000000000000 5.143241918138305 Atomic positions (fractional): 1 O 0.54381545744846 0.74615568821549 0.01187160487988 15.999 2 O 0.45618454255154 0.24615568821549 0.48812839512012 15.999 3 O 0.45618454255154 0.25384431178451 0.98812839512012 15.999 4 O 0.54381545744846 0.75384431178451 0.51187160487988 15.999 5 F 0.94242188501195 0.32748599040151 0.65930203022432 18.998 6 F 0.05757811498805 0.82748599040151 0.84069796977568 18.998 7 F 0.05757811498805 0.67251400959849 0.34069796977568 18.998 8 F 0.94242188501195 0.17251400959849 0.15930203022432 18.998 9 Sc 0.69187559106174 0.47203956940954 0.28783997583151 44.956 10 Sc 0.30812440893826 0.97203956940954 0.21216002416849 44.956 11 Sc 0.30812440893826 0.52796043059046 0.71216002416849 44.956 12 Sc 0.69187559106174 0.02796043059046 0.78783997583151 44.956 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.322069320047943 0.000000000000000 0.000000000000000 b 0.000000000000000 15.398899679999994 0.000000000000000 c -1.799232871549550 0.000000000000000 10.286483836276609 Atomic positions (fractional): 1 O 0.27190772872423 0.24871856273850 0.00593580243994 15.999 > 1 2 O 0.77190772872423 0.24871856273850 0.00593580243994 15.999 > 1 3 O 0.27190772872423 0.58205189607183 0.00593580243994 15.999 > 1 4 O 0.77190772872423 0.58205189607183 0.00593580243994 15.999 > 1 5 O 0.27190772872423 0.91538522940516 0.00593580243994 15.999 > 1 6 O 0.77190772872423 0.91538522940516 0.00593580243994 15.999 > 1 7 O 0.27190772872423 0.24871856273850 0.50593580243994 15.999 > 1 8 O 0.77190772872423 0.24871856273850 0.50593580243994 15.999 > 1 9 O 0.27190772872423 0.58205189607183 0.50593580243994 15.999 > 1 10 O 0.77190772872423 0.58205189607183 0.50593580243994 15.999 > 1 11 O 0.27190772872423 0.91538522940516 0.50593580243994 15.999 > 1 12 O 0.77190772872423 0.91538522940516 0.50593580243994 15.999 > 1 13 O 0.22809227127577 0.08205189607183 0.24406419756006 15.999 > 13 14 O 0.72809227127577 0.08205189607183 0.24406419756006 15.999 > 13 15 O 0.22809227127577 0.41538522940516 0.24406419756006 15.999 > 13 16 O 0.72809227127577 0.41538522940516 0.24406419756006 15.999 > 13 17 O 0.22809227127577 0.74871856273850 0.24406419756006 15.999 > 13 18 O 0.72809227127577 0.74871856273850 0.24406419756006 15.999 > 13 19 O 0.22809227127577 0.08205189607183 0.74406419756006 15.999 > 13 20 O 0.72809227127577 0.08205189607183 0.74406419756006 15.999 > 13 21 O 0.22809227127577 0.41538522940516 0.74406419756006 15.999 > 13 22 O 0.72809227127577 0.41538522940516 0.74406419756006 15.999 > 13 23 O 0.22809227127577 0.74871856273850 0.74406419756006 15.999 > 13 24 O 0.72809227127577 0.74871856273850 0.74406419756006 15.999 > 13 25 O 0.22809227127577 0.08461477059484 0.49406419756006 15.999 > 25 26 O 0.72809227127577 0.08461477059484 0.49406419756006 15.999 > 25 27 O 0.22809227127577 0.41794810392817 0.49406419756006 15.999 > 25 28 O 0.72809227127577 0.41794810392817 0.49406419756006 15.999 > 25 29 O 0.22809227127577 0.75128143726150 0.49406419756006 15.999 > 25 30 O 0.72809227127577 0.75128143726150 0.49406419756006 15.999 > 25 31 O 0.22809227127577 0.08461477059484 0.99406419756006 15.999 > 25 32 O 0.72809227127577 0.08461477059484 0.99406419756006 15.999 > 25 33 O 0.22809227127577 0.41794810392817 0.99406419756006 15.999 > 25 34 O 0.72809227127577 0.41794810392817 0.99406419756006 15.999 > 25 35 O 0.22809227127577 0.75128143726150 0.99406419756006 15.999 > 25 36 O 0.72809227127577 0.75128143726150 0.99406419756006 15.999 > 25 37 O 0.27190772872423 0.25128143726150 0.25593580243994 15.999 > 37 38 O 0.77190772872423 0.25128143726150 0.25593580243994 15.999 > 37 39 O 0.27190772872423 0.58461477059484 0.25593580243994 15.999 > 37 40 O 0.77190772872423 0.58461477059484 0.25593580243994 15.999 > 37 41 O 0.27190772872423 0.91794810392817 0.25593580243994 15.999 > 37 42 O 0.77190772872423 0.91794810392817 0.25593580243994 15.999 > 37 43 O 0.27190772872423 0.25128143726150 0.75593580243994 15.999 > 37 44 O 0.77190772872423 0.25128143726150 0.75593580243994 15.999 > 37 45 O 0.27190772872423 0.58461477059484 0.75593580243994 15.999 > 37 46 O 0.77190772872423 0.58461477059484 0.75593580243994 15.999 > 37 47 O 0.27190772872423 0.91794810392817 0.75593580243994 15.999 > 37 48 O 0.77190772872423 0.91794810392817 0.75593580243994 15.999 > 37 49 F 0.47121094250598 0.10916199680050 0.32965101511216 18.998 > 49 50 F 0.97121094250598 0.10916199680050 0.32965101511216 18.998 > 49 51 F 0.47121094250598 0.44249533013384 0.32965101511216 18.998 > 49 52 F 0.97121094250598 0.44249533013384 0.32965101511216 18.998 > 49 53 F 0.47121094250598 0.77582866346717 0.32965101511216 18.998 > 49 54 F 0.97121094250598 0.77582866346717 0.32965101511216 18.998 > 49 55 F 0.47121094250598 0.10916199680050 0.82965101511216 18.998 > 49 56 F 0.97121094250598 0.10916199680050 0.82965101511216 18.998 > 49 57 F 0.47121094250598 0.44249533013384 0.82965101511216 18.998 > 49 58 F 0.97121094250598 0.44249533013384 0.82965101511216 18.998 > 49 59 F 0.47121094250598 0.77582866346717 0.82965101511216 18.998 > 49 60 F 0.97121094250598 0.77582866346717 0.82965101511216 18.998 > 49 61 F 0.02878905749402 0.27582866346717 0.42034898488784 18.998 > 61 62 F 0.52878905749402 0.27582866346717 0.42034898488784 18.998 > 61 63 F 0.02878905749402 0.60916199680050 0.42034898488784 18.998 > 61 64 F 0.52878905749402 0.60916199680050 0.42034898488784 18.998 > 61 65 F 0.02878905749402 0.94249533013384 0.42034898488784 18.998 > 61 66 F 0.52878905749402 0.94249533013384 0.42034898488784 18.998 > 61 67 F 0.02878905749402 0.27582866346717 0.92034898488784 18.998 > 61 68 F 0.52878905749402 0.27582866346717 0.92034898488784 18.998 > 61 69 F 0.02878905749402 0.60916199680050 0.92034898488784 18.998 > 61 70 F 0.52878905749402 0.60916199680050 0.92034898488784 18.998 > 61 71 F 0.02878905749402 0.94249533013384 0.92034898488784 18.998 > 61 72 F 0.52878905749402 0.94249533013384 0.92034898488784 18.998 > 61 73 F 0.02878905749402 0.22417133653283 0.17034898488784 18.998 > 73 74 F 0.52878905749402 0.22417133653283 0.17034898488784 18.998 > 73 75 F 0.02878905749402 0.55750466986616 0.17034898488784 18.998 > 73 76 F 0.52878905749402 0.55750466986616 0.17034898488784 18.998 > 73 77 F 0.02878905749402 0.89083800319950 0.17034898488784 18.998 > 73 78 F 0.52878905749402 0.89083800319950 0.17034898488784 18.998 > 73 79 F 0.02878905749402 0.22417133653283 0.67034898488784 18.998 > 73 80 F 0.52878905749402 0.22417133653283 0.67034898488784 18.998 > 73 81 F 0.02878905749402 0.55750466986616 0.67034898488784 18.998 > 73 82 F 0.52878905749402 0.55750466986616 0.67034898488784 18.998 > 73 83 F 0.02878905749402 0.89083800319950 0.67034898488784 18.998 > 73 84 F 0.52878905749402 0.89083800319950 0.67034898488784 18.998 > 73 85 F 0.47121094250598 0.05750466986616 0.07965101511216 18.998 > 85 86 F 0.97121094250598 0.05750466986616 0.07965101511216 18.998 > 85 87 F 0.47121094250598 0.39083800319950 0.07965101511216 18.998 > 85 88 F 0.97121094250598 0.39083800319950 0.07965101511216 18.998 > 85 89 F 0.47121094250598 0.72417133653283 0.07965101511216 18.998 > 85 90 F 0.97121094250598 0.72417133653283 0.07965101511216 18.998 > 85 91 F 0.47121094250598 0.05750466986616 0.57965101511216 18.998 > 85 92 F 0.97121094250598 0.05750466986616 0.57965101511216 18.998 > 85 93 F 0.47121094250598 0.39083800319950 0.57965101511216 18.998 > 85 94 F 0.97121094250598 0.39083800319950 0.57965101511216 18.998 > 85 95 F 0.47121094250598 0.72417133653283 0.57965101511216 18.998 > 85 96 F 0.97121094250598 0.72417133653283 0.57965101511216 18.998 > 85 97 Sc 0.34593779553087 0.15734652313651 0.14391998791575 44.956 > 97 98 Sc 0.84593779553087 0.15734652313651 0.14391998791575 44.956 > 97 99 Sc 0.34593779553087 0.49067985646985 0.14391998791575 44.956 > 97 100 Sc 0.84593779553087 0.49067985646985 0.14391998791575 44.956 > 97 101 Sc 0.34593779553087 0.82401318980318 0.14391998791575 44.956 > 97 102 Sc 0.84593779553087 0.82401318980318 0.14391998791575 44.956 > 97 103 Sc 0.34593779553087 0.15734652313651 0.64391998791575 44.956 > 97 104 Sc 0.84593779553087 0.15734652313651 0.64391998791575 44.956 > 97 105 Sc 0.34593779553087 0.49067985646985 0.64391998791575 44.956 > 97 106 Sc 0.84593779553087 0.49067985646985 0.64391998791575 44.956 > 97 107 Sc 0.34593779553087 0.82401318980318 0.64391998791575 44.956 > 97 108 Sc 0.84593779553087 0.82401318980318 0.64391998791575 44.956 > 97 109 Sc 0.15406220446913 0.32401318980318 0.10608001208425 44.956 > 109 110 Sc 0.65406220446913 0.32401318980318 0.10608001208425 44.956 > 109 111 Sc 0.15406220446913 0.65734652313651 0.10608001208425 44.956 > 109 112 Sc 0.65406220446913 0.65734652313651 0.10608001208425 44.956 > 109 113 Sc 0.15406220446913 0.99067985646985 0.10608001208425 44.956 > 109 114 Sc 0.65406220446913 0.99067985646985 0.10608001208425 44.956 > 109 115 Sc 0.15406220446913 0.32401318980318 0.60608001208425 44.956 > 109 116 Sc 0.65406220446913 0.32401318980318 0.60608001208425 44.956 > 109 117 Sc 0.15406220446913 0.65734652313651 0.60608001208425 44.956 > 109 118 Sc 0.65406220446913 0.65734652313651 0.60608001208425 44.956 > 109 119 Sc 0.15406220446913 0.99067985646985 0.60608001208425 44.956 > 109 120 Sc 0.65406220446913 0.99067985646985 0.60608001208425 44.956 > 109 121 Sc 0.15406220446913 0.17598681019682 0.35608001208425 44.956 > 121 122 Sc 0.65406220446913 0.17598681019682 0.35608001208425 44.956 > 121 123 Sc 0.15406220446913 0.50932014353015 0.35608001208425 44.956 > 121 124 Sc 0.65406220446913 0.50932014353015 0.35608001208425 44.956 > 121 125 Sc 0.15406220446913 0.84265347686349 0.35608001208425 44.956 > 121 126 Sc 0.65406220446913 0.84265347686349 0.35608001208425 44.956 > 121 127 Sc 0.15406220446913 0.17598681019682 0.85608001208425 44.956 > 121 128 Sc 0.65406220446913 0.17598681019682 0.85608001208425 44.956 > 121 129 Sc 0.15406220446913 0.50932014353015 0.85608001208425 44.956 > 121 130 Sc 0.65406220446913 0.50932014353015 0.85608001208425 44.956 > 121 131 Sc 0.15406220446913 0.84265347686349 0.85608001208425 44.956 > 121 132 Sc 0.65406220446913 0.84265347686349 0.85608001208425 44.956 > 121 133 Sc 0.34593779553087 0.00932014353015 0.39391998791575 44.956 > 133 134 Sc 0.84593779553087 0.00932014353015 0.39391998791575 44.956 > 133 135 Sc 0.34593779553087 0.34265347686349 0.39391998791575 44.956 > 133 136 Sc 0.84593779553087 0.34265347686349 0.39391998791575 44.956 > 133 137 Sc 0.34593779553087 0.67598681019682 0.39391998791575 44.956 > 133 138 Sc 0.84593779553087 0.67598681019682 0.39391998791575 44.956 > 133 139 Sc 0.34593779553087 0.00932014353015 0.89391998791575 44.956 > 133 140 Sc 0.84593779553087 0.00932014353015 0.89391998791575 44.956 > 133 141 Sc 0.34593779553087 0.34265347686349 0.89391998791575 44.956 > 133 142 Sc 0.84593779553087 0.34265347686349 0.89391998791575 44.956 > 133 143 Sc 0.34593779553087 0.67598681019682 0.89391998791575 44.956 > 133 144 Sc 0.84593779553087 0.67598681019682 0.89391998791575 44.956 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3306843 0.0000000 -0.0873248 0.0000000 4.0707493 0.0000000 -0.0873248 0.0000000 3.9703454 -------------------------- Born effective charges -------------------------- 1 O -1.4803719 -0.0126949 0.2292408 0.0603284 -2.7714477 0.1688309 0.2234092 0.3311430 -2.6838983 2 O -1.4803719 0.0126949 0.2292408 -0.0603284 -2.7714477 -0.1688309 0.2234092 -0.3311430 -2.6838983 3 O -1.4803719 -0.0126949 0.2292408 0.0603284 -2.7714477 0.1688309 0.2234092 0.3311430 -2.6838983 4 O -1.4803719 0.0126949 0.2292408 -0.0603284 -2.7714477 -0.1688309 0.2234092 -0.3311430 -2.6838983 5 F -1.7525587 -0.4970794 -0.1706734 -0.4965742 -1.2306778 0.2600332 -0.1528881 0.2494426 -1.1053138 6 F -1.7525587 0.4970794 -0.1706734 0.4965742 -1.2306778 -0.2600332 -0.1528881 -0.2494426 -1.1053138 7 F -1.7525587 -0.4970794 -0.1706734 -0.4965742 -1.2306778 0.2600332 -0.1528881 0.2494426 -1.1053138 8 F -1.7525587 0.4970794 -0.1706734 0.4965742 -1.2306778 -0.2600332 -0.1528881 -0.2494426 -1.1053138 9 Sc 3.2329306 -0.1128482 -0.0585675 0.0456277 4.0021255 0.0236487 -0.0705211 0.0948686 3.7892122 10 Sc 3.2329306 0.1128482 -0.0585675 -0.0456277 4.0021255 -0.0236487 -0.0705211 -0.0948686 3.7892122 11 Sc 3.2329306 -0.1128482 -0.0585675 0.0456277 4.0021255 0.0236487 -0.0705211 0.0948686 3.7892122 12 Sc 3.2329306 0.1128482 -0.0585675 -0.0456277 4.0021255 -0.0236487 -0.0705211 -0.0948686 3.7892122 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 10 ] 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: 0.81, Number of G-points: 299, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/312) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 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 2.541 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.908 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.114 ( 0.000 0.000 0.000) 0.000 7.737 ( 0.000 0.000 0.000) 0.000 7.788 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.036 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.446 ( 0.000 0.000 0.000) 0.000 12.603 ( 0.000 0.000 0.000) 0.000 12.751 ( 0.000 0.000 0.000) 0.000 13.274 ( 0.000 0.000 0.000) 0.000 13.435 ( 0.000 0.000 0.000) 0.000 13.624 ( 0.000 0.000 0.000) 0.000 16.528 ( 0.000 0.000 0.000) 0.000 16.708 ( 0.000 0.000 0.000) 0.000 17.238 ( 0.000 0.000 0.000) 0.000 19.856 ( 0.000 0.000 0.000) 0.000 19.896 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/312) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 30.376 0.000 1.295) 30.403 0.808 ( 40.448 0.000 4.955) 40.750 1.595 ( 78.825 0.000 13.110) 79.908 2.559 ( 2.442 0.000 -0.695) 2.539 4.594 ( -5.712 0.000 -10.084) 11.589 4.984 ( -4.970 0.000 -4.521) 6.719 6.484 ( 11.873 0.000 0.916) 11.908 6.877 ( -4.142 0.000 3.244) 5.262 7.077 ( 0.781 0.000 0.185) 0.803 7.079 ( -3.826 0.000 3.702) 5.324 7.661 ( -9.558 0.000 11.249) 14.761 7.868 ( 5.364 0.000 4.417) 6.949 7.900 ( 2.437 0.000 -30.984) 31.080 8.070 ( -2.397 0.000 24.872) 24.987 8.171 ( 5.482 0.000 12.473) 13.624 8.872 ( -5.181 0.000 -9.718) 11.013 9.211 ( 0.678 0.000 -3.276) 3.345 9.515 ( -2.053 0.000 6.658) 6.967 9.556 ( -0.775 0.000 6.604) 6.649 9.694 ( 6.039 0.000 -0.636) 6.073 9.875 ( 0.755 0.000 0.639) 0.989 10.776 ( 10.816 0.000 4.182) 11.597 11.703 ( 0.377 0.000 -1.016) 1.084 12.140 ( -14.706 0.000 -40.555) 43.139 12.283 ( -6.005 0.000 -1.014) 6.090 12.597 ( 0.315 0.000 -3.011) 3.028 12.777 ( 1.238 0.000 4.548) 4.713 13.200 ( -6.618 0.000 -5.019) 8.306 13.352 ( -11.370 0.000 37.558) 39.241 13.402 ( -3.222 0.000 -0.129) 3.225 15.772 ( 17.169 0.000 -21.478) 27.497 16.705 ( -0.361 0.000 -0.104) 0.375 17.243 ( 0.715 0.000 -1.431) 1.600 19.232 ( -3.382 0.000 4.873) 5.932 19.812 ( -2.280 0.000 -2.369) 3.288 19.934 ( 1.542 0.000 3.420) 3.751 ======================= Grid point 2 (3/312) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 29.186 0.000 2.267) 29.274 1.593 ( 38.568 0.000 5.146) 38.910 2.554 ( 4.355 0.000 0.907) 4.449 3.205 ( 74.961 0.000 11.810) 75.886 4.392 ( -11.266 0.000 -8.318) 14.004 4.822 ( -9.515 0.000 -7.519) 12.127 6.761 ( -8.954 0.000 5.584) 10.553 6.786 ( 17.698 0.000 0.131) 17.699 7.009 ( -4.779 0.000 5.447) 7.246 7.097 ( 1.212 0.000 -0.396) 1.276 7.469 ( -11.971 0.000 2.219) 12.175 7.885 ( 6.029 0.000 -27.825) 28.470 7.963 ( -0.109 0.000 13.991) 13.991 8.198 ( 11.423 0.000 4.855) 12.412 8.286 ( 1.934 0.000 9.564) 9.758 8.705 ( -7.494 0.000 -10.216) 12.670 9.245 ( 3.874 0.000 -1.634) 4.205 9.493 ( -2.183 0.000 4.360) 4.876 9.563 ( -1.029 0.000 8.337) 8.400 9.799 ( 2.199 0.000 -0.771) 2.330 9.946 ( 7.739 0.000 1.453) 7.874 11.058 ( 15.513 0.000 4.243) 16.083 11.543 ( -33.000 0.000 -10.941) 34.766 11.716 ( 1.746 0.000 -2.045) 2.689 12.177 ( -6.085 0.000 -5.902) 8.477 12.605 ( 1.705 0.000 -3.929) 4.282 12.803 ( -1.192 0.000 7.004) 7.105 12.990 ( -12.459 0.000 -8.910) 15.317 13.200 ( -12.197 0.000 11.273) 16.609 13.319 ( -4.835 0.000 -0.723) 4.889 16.093 ( 19.244 0.000 -5.884) 20.123 16.695 ( -0.518 0.000 -0.123) 0.532 17.257 ( 1.517 0.000 -2.964) 3.330 19.162 ( -5.206 0.000 3.484) 6.264 19.771 ( -1.157 0.000 -1.109) 1.603 19.960 ( -0.107 0.000 2.813) 2.815 ======================= Grid point 3 (4/312) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 25.893 0.000 3.660) 26.150 2.329 ( 35.218 0.000 5.489) 35.643 2.610 ( 2.777 0.000 -1.401) 3.111 4.075 ( -13.396 0.000 -5.306) 14.409 4.566 ( -14.129 0.000 -8.475) 16.476 4.731 ( 71.386 0.000 12.638) 72.496 6.599 ( -8.785 0.000 4.853) 10.036 6.936 ( -5.047 0.000 9.100) 10.406 7.105 ( 11.367 0.000 -4.641) 12.278 7.122 ( 4.601 0.000 0.120) 4.602 7.234 ( -10.440 0.000 -9.564) 14.159 7.933 ( 7.172 0.000 -21.949) 23.091 7.986 ( -2.031 0.000 14.262) 14.405 8.299 ( -3.326 0.000 6.767) 7.540 8.498 ( 17.315 0.000 -1.602) 17.389 8.543 ( -6.060 0.000 -4.824) 7.746 9.345 ( 5.836 0.000 2.535) 6.363 9.450 ( -4.785 0.000 4.442) 6.529 9.571 ( -0.731 0.000 6.137) 6.181 9.754 ( -7.703 0.000 -0.358) 7.712 10.063 ( -1.598 0.000 0.371) 1.641 11.002 ( -11.367 0.000 -3.753) 11.970 11.359 ( 13.017 0.000 2.596) 13.273 11.774 ( 5.811 0.000 -3.239) 6.653 11.979 ( -13.013 0.000 -1.650) 13.117 12.630 ( 1.992 0.000 -3.561) 4.080 12.660 ( -18.312 0.000 -9.662) 20.704 12.761 ( -5.754 0.000 7.780) 9.677 13.000 ( -9.516 0.000 2.142) 9.754 13.228 ( -3.847 0.000 -1.229) 4.038 16.429 ( 15.580 0.000 -0.529) 15.589 16.685 ( -0.439 0.000 -0.070) 0.445 17.283 ( 2.497 0.000 -4.200) 4.887 19.062 ( -5.963 0.000 2.908) 6.634 19.763 ( 0.474 0.000 0.150) 0.497 19.948 ( -1.836 0.000 1.557) 2.407 ======================= Grid point 4 (5/312) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 17.191 0.000 4.558) 17.785 2.662 ( 3.525 0.000 -2.849) 4.533 2.977 ( 28.864 0.000 5.597) 29.402 3.773 ( -13.766 0.000 -3.857) 14.296 4.224 ( -17.706 0.000 -7.481) 19.221 6.114 ( 63.657 0.000 16.577) 65.780 6.476 ( -4.958 0.000 2.633) 5.614 6.889 ( -3.522 0.000 13.920) 14.359 7.026 ( -5.868 0.000 -16.247) 17.275 7.131 ( 1.807 0.000 -7.910) 8.114 7.309 ( 6.532 0.000 -2.853) 7.128 7.961 ( -6.547 0.000 9.283) 11.360 8.002 ( 6.352 0.000 -16.110) 17.317 8.223 ( -5.821 0.000 5.991) 8.353 8.448 ( -2.952 0.000 -0.117) 2.954 8.706 ( -3.679 0.000 -10.314) 10.950 9.241 ( -13.112 0.000 7.701) 15.206 9.463 ( 4.410 0.000 4.348) 6.193 9.560 ( -5.210 0.000 0.525) 5.236 9.573 ( -0.533 0.000 1.753) 1.832 9.976 ( -2.630 0.000 -0.354) 2.654 11.158 ( 19.922 0.000 3.648) 20.253 11.537 ( 4.746 0.000 1.292) 4.919 11.700 ( -13.278 0.000 -0.555) 13.290 11.931 ( 10.672 0.000 -4.067) 11.421 12.222 ( -23.165 0.000 -8.580) 24.703 12.611 ( -6.840 0.000 5.550) 8.809 12.682 ( -0.315 0.000 -1.444) 1.478 12.872 ( -3.979 0.000 -0.519) 4.013 13.169 ( -1.888 0.000 -0.664) 2.001 16.664 ( 8.066 0.000 1.154) 8.148 16.679 ( -0.234 0.000 -0.018) 0.235 17.323 ( 2.694 0.000 -3.578) 4.479 18.966 ( -4.330 0.000 1.832) 4.702 19.789 ( 1.918 0.000 0.827) 2.089 19.904 ( -2.815 0.000 0.229) 2.824 ======================= Grid point 5 (6/312) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 0.000 0.000 -0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 3.352 ( -0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 -0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.902 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 -0.000) 0.000 7.057 ( -0.000 0.000 -0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 7.754 ( 0.000 0.000 -0.000) 0.000 8.049 ( -0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 -0.000) 0.000 8.420 ( 0.000 0.000 -0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 9.225 ( -0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.524 ( 0.000 0.000 -0.000) 0.000 9.565 ( -0.000 0.000 -0.000) 0.000 9.956 ( 0.000 0.000 -0.000) 0.000 11.468 ( -0.000 0.000 -0.000) 0.000 11.580 ( 0.000 0.000 0.000) 0.000 11.620 ( 0.000 0.000 0.000) 0.000 11.815 ( 0.000 0.000 0.000) 0.000 12.059 ( 0.000 0.000 0.000) 0.000 12.520 ( 0.000 0.000 -0.000) 0.000 12.686 ( 0.000 0.000 0.000) 0.000 12.834 ( 0.000 0.000 -0.000) 0.000 13.149 ( 0.000 0.000 0.000) 0.000 16.676 ( 0.000 0.000 0.000) 0.000 16.744 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 -0.000) 0.000 18.924 ( 0.000 0.000 0.000) 0.000 19.827 ( 0.000 0.000 0.000) 0.000 19.859 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 11 (7/312) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 0.000 39.242 0.000) 39.242 0.851 ( 0.000 43.312 0.000) 43.312 1.672 ( 0.000 81.133 0.000) 81.133 2.677 ( 0.000 15.086 0.000) 15.086 4.695 ( 0.000 3.407 0.000) 3.407 5.421 ( 0.000 5.227 0.000) 5.227 6.239 ( 0.000 -12.846 0.000) 12.846 6.868 ( 0.000 -4.143 0.000) 4.143 7.079 ( 0.000 -0.743 0.000) 0.743 7.284 ( 0.000 9.298 0.000) 9.298 7.640 ( 0.000 -10.061 0.000) 10.061 7.688 ( 0.000 -10.335 0.000) 10.335 7.785 ( 0.000 2.147 0.000) 2.147 8.114 ( 0.000 -2.004 0.000) 2.004 8.163 ( 0.000 10.927 0.000) 10.927 8.941 ( 0.000 -2.730 0.000) 2.730 9.161 ( 0.000 -2.853 0.000) 2.853 9.473 ( 0.000 -3.344 0.000) 3.344 9.761 ( 0.000 20.827 0.000) 20.827 9.868 ( 0.000 18.384 0.000) 18.384 10.078 ( 0.000 17.177 0.000) 17.177 10.596 ( 0.000 -4.538 0.000) 4.538 11.260 ( 0.000 3.546 0.000) 3.546 12.322 ( 0.000 -11.310 0.000) 11.310 12.367 ( 0.000 -3.856 0.000) 3.856 12.503 ( 0.000 -9.202 0.000) 9.202 12.711 ( 0.000 3.911 0.000) 3.911 13.236 ( 0.000 -15.873 0.000) 15.873 13.328 ( 0.000 5.739 0.000) 5.739 13.696 ( 0.000 3.180 0.000) 3.180 16.305 ( 0.000 -16.027 0.000) 16.027 16.901 ( 0.000 13.039 0.000) 13.039 17.125 ( 0.000 -11.546 0.000) 11.546 18.925 ( 0.000 -3.731 0.000) 3.731 19.955 ( 0.000 5.931 0.000) 5.931 21.499 ( 0.000 -3.396 0.000) 3.396 ======================= Grid point 12 (8/312) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 16.894 33.473 3.897) 37.697 1.343 ( 33.626 31.412 4.197) 46.206 2.181 ( 50.639 55.330 8.486) 75.483 2.693 ( 1.673 15.450 -0.561) 15.551 4.624 ( -6.516 3.492 -3.710) 8.272 5.267 ( -10.376 15.738 -8.478) 20.670 6.320 ( 8.376 -15.691 1.644) 17.862 6.838 ( -4.667 -4.359 4.438) 7.777 6.998 ( -5.411 -3.840 2.271) 7.013 7.257 ( -1.466 10.680 -2.852) 11.151 7.646 ( -2.755 -7.274 -1.893) 8.006 7.704 ( -2.347 -3.490 7.061) 8.219 7.767 ( 3.522 -9.516 2.738) 10.510 8.164 ( 2.825 -2.997 4.104) 5.814 8.227 ( 6.711 12.778 -5.734) 15.531 8.873 ( -4.624 0.322 -7.579) 8.884 9.146 ( -0.300 -3.382 -1.726) 3.809 9.466 ( -1.513 -2.610 4.653) 5.546 9.784 ( 2.350 20.368 1.996) 20.600 9.906 ( 3.292 18.166 0.349) 18.465 10.079 ( 0.230 17.137 1.880) 17.241 10.758 ( 12.790 -4.636 3.656) 14.087 11.296 ( 0.883 -7.158 -3.194) 7.888 12.193 ( -10.993 -8.418 5.297) 14.825 12.366 ( -0.990 -0.226 -11.149) 11.195 12.503 ( -0.047 -8.696 -3.968) 9.559 12.752 ( 1.947 0.859 2.732) 3.463 13.160 ( -6.506 -11.696 -0.795) 13.407 13.289 ( -4.708 3.894 0.125) 6.111 13.597 ( -9.421 6.691 5.233) 12.685 16.192 ( -3.700 4.128 -5.560) 7.851 16.855 ( -2.382 15.918 0.016) 16.095 17.134 ( 1.342 -10.812 -3.001) 11.301 18.910 ( -1.663 -10.695 0.114) 10.824 19.962 ( 0.309 5.130 1.163) 5.269 20.717 ( -42.501 36.385 -7.217) 56.412 ======================= Grid point 13 (9/312) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 23.119 22.748 4.482) 32.743 1.958 ( 30.000 27.946 3.718) 41.168 2.738 ( 3.462 17.593 -1.110) 17.965 3.431 ( 68.073 25.158 13.244) 73.771 4.430 ( -11.368 3.970 -5.538) 13.253 5.027 ( -11.312 17.901 -10.341) 23.566 6.549 ( 12.968 -20.003 3.535) 24.099 6.701 ( -10.829 -6.568 8.007) 14.984 6.939 ( -2.076 -6.809 3.205) 7.806 7.222 ( -0.419 8.030 -7.411) 10.935 7.497 ( -9.437 4.007 2.590) 10.574 7.730 ( 2.738 -10.499 -5.127) 12.000 7.855 ( 3.649 -10.009 0.040) 10.653 8.211 ( -0.187 -7.547 5.970) 9.624 8.395 ( 12.712 15.759 -3.220) 20.501 8.737 ( -5.988 3.251 -9.280) 11.513 9.165 ( 2.909 -4.407 -0.983) 5.371 9.454 ( -1.398 -1.207 6.969) 7.210 9.824 ( -0.371 22.954 2.061) 23.049 9.971 ( 1.851 13.974 0.105) 14.096 10.132 ( 5.029 16.589 3.672) 17.719 11.049 ( 14.290 -6.746 0.660) 15.817 11.197 ( -8.664 -6.470 -2.966) 11.212 11.965 ( -12.218 -0.264 4.601) 13.058 12.243 ( -7.097 7.418 -9.424) 13.936 12.501 ( 0.933 -11.259 -2.417) 11.553 12.774 ( -1.059 -0.268 3.976) 4.123 13.009 ( -7.898 -5.389 -6.272) 11.435 13.143 ( -10.043 3.291 2.199) 10.794 13.420 ( -9.521 5.561 2.362) 11.276 16.243 ( 8.977 5.441 -2.482) 10.787 16.828 ( -0.858 14.149 0.783) 14.196 17.156 ( 2.374 -9.325 -4.838) 10.770 18.862 ( -3.354 -18.162 1.088) 18.501 19.966 ( -0.504 4.198 1.092) 4.366 20.172 ( -16.183 23.238 -1.164) 28.341 ======================= Grid point 14 (10/312) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 22.828 16.005 5.259) 28.371 2.510 ( 22.520 13.960 2.908) 26.655 2.851 ( 11.289 24.593 -0.412) 27.063 4.130 ( -13.976 5.382 -4.634) 15.677 4.703 ( 1.382 11.861 -3.937) 12.574 4.863 ( 49.741 15.231 7.858) 52.611 6.516 ( -10.027 -9.038 6.908) 15.164 6.774 ( 6.003 -17.149 7.897) 19.811 6.934 ( 1.406 -9.747 0.634) 9.868 7.179 ( 0.083 1.569 -14.925) 15.008 7.356 ( -4.387 12.192 -0.280) 12.960 7.765 ( 2.229 -11.968 -3.455) 12.654 7.898 ( 1.731 -9.356 -3.276) 10.063 8.197 ( -3.117 -9.735 5.665) 11.686 8.585 ( -4.881 5.034 -4.234) 8.191 8.685 ( 14.747 12.511 -2.616) 19.515 9.237 ( 3.667 -5.240 -0.386) 6.408 9.465 ( 0.291 -0.281 6.888) 6.900 9.742 ( -10.617 16.784 -1.851) 19.947 9.955 ( -3.512 17.323 3.216) 17.965 10.183 ( -4.416 10.988 1.617) 11.952 11.011 ( 3.132 3.297 -2.480) 5.180 11.390 ( 15.222 0.895 2.058) 15.387 11.808 ( -6.295 -1.115 2.788) 6.975 12.055 ( -8.784 8.752 -4.315) 13.129 12.498 ( -1.836 -11.463 -0.951) 11.648 12.733 ( -3.877 0.667 1.811) 4.330 12.776 ( -13.936 5.945 -7.729) 17.009 12.977 ( -6.758 -1.015 2.586) 7.307 13.264 ( -6.391 2.621 -0.762) 6.950 16.444 ( 10.494 -0.497 0.299) 10.510 16.820 ( -0.388 12.285 1.174) 12.348 17.193 ( 3.215 -7.836 -5.904) 10.325 18.794 ( -3.922 -20.642 1.790) 21.087 19.945 ( -2.276 8.790 -0.134) 9.081 19.968 ( -5.953 6.126 1.483) 8.670 ======================= Grid point 15 (11/312) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 15.771 12.364 5.530) 20.788 2.745 ( 5.927 9.114 -2.512) 11.158 3.260 ( 25.216 25.267 4.798) 36.017 3.833 ( -13.401 5.886 -3.555) 15.063 4.369 ( -18.737 14.333 -8.528) 25.084 6.055 ( 48.489 -5.369 13.303) 50.566 6.389 ( -3.327 -9.556 5.809) 11.667 6.843 ( -0.301 -4.452 13.975) 14.671 6.948 ( 1.968 -8.367 -8.464) 12.063 7.192 ( 6.740 -3.875 -14.142) 16.138 7.322 ( 0.511 13.378 -2.772) 13.672 7.780 ( -0.835 -12.575 -0.165) 12.604 7.915 ( 1.857 -9.954 -6.063) 11.802 8.144 ( -3.456 -7.801 5.684) 10.252 8.472 ( -5.695 3.749 -2.810) 7.375 8.878 ( -3.264 11.517 -5.576) 13.206 9.156 ( -12.285 -6.933 0.751) 14.126 9.444 ( -4.698 1.361 1.024) 4.997 9.551 ( 3.340 4.346 5.147) 7.519 9.903 ( -1.996 24.679 1.440) 24.801 10.101 ( -2.127 11.033 0.056) 11.236 11.297 ( 21.204 12.179 3.548) 24.708 11.616 ( 0.675 4.466 4.725) 6.537 11.675 ( -1.889 -3.099 -3.461) 5.015 11.970 ( 2.183 5.875 -3.233) 7.053 12.305 ( -18.616 6.372 -4.923) 20.282 12.527 ( -8.025 -5.718 2.698) 10.217 12.680 ( -1.219 -0.109 -1.663) 2.065 12.887 ( -3.267 1.103 -0.021) 3.448 13.176 ( -2.589 0.554 -0.810) 2.769 16.612 ( 6.119 -2.048 0.984) 6.528 16.817 ( -0.393 9.044 0.999) 9.107 17.236 ( 2.799 -7.450 -4.476) 9.131 18.732 ( -2.756 -20.148 1.443) 20.387 19.880 ( -2.488 4.624 1.203) 5.386 19.922 ( -1.443 3.761 -0.209) 4.034 ======================= Grid point 16 (12/312) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( 0.000 11.209 -0.000) 11.209 2.808 ( 0.000 10.171 0.000) 10.171 3.615 ( 0.000 20.525 0.000) 20.525 3.686 ( 0.000 11.678 0.000) 11.678 4.064 ( 0.000 10.638 0.000) 10.638 6.307 ( 0.000 -12.876 0.000) 12.876 6.601 ( 0.000 -19.495 0.000) 19.495 6.849 ( 0.000 -4.044 0.000) 4.044 7.069 ( -0.000 -7.111 -0.000) 7.111 7.321 ( -0.000 6.170 -0.000) 6.170 7.331 ( 0.000 9.065 0.000) 9.065 7.709 ( 0.000 -4.937 0.000) 4.937 7.929 ( 0.000 -11.089 0.000) 11.089 8.146 ( 0.000 2.303 -0.000) 2.303 8.299 ( -0.000 -3.337 -0.000) 3.337 8.645 ( 0.000 9.938 0.000) 9.938 9.131 ( 0.000 -9.214 0.000) 9.214 9.425 ( 0.000 0.012 -0.000) 0.012 9.620 ( -0.000 5.033 0.000) 5.033 9.887 ( 0.000 26.054 -0.000) 26.054 10.085 ( 0.000 11.162 -0.000) 11.162 11.517 ( 0.000 3.020 -0.000) 3.020 11.643 ( 0.000 6.882 -0.000) 6.882 11.792 ( -0.000 -1.198 -0.000) 1.198 11.884 ( 0.000 22.769 0.000) 22.769 12.059 ( 0.000 0.793 0.000) 0.793 12.441 ( 0.000 -8.037 -0.000) 8.037 12.669 ( 0.000 -1.179 0.000) 1.179 12.854 ( 0.000 1.844 -0.000) 1.844 13.150 ( 0.000 0.052 0.000) 0.052 16.675 ( 0.000 -0.431 0.000) 0.431 16.814 ( 0.000 6.095 0.000) 6.095 17.258 ( 0.000 -7.784 -0.000) 7.784 18.707 ( 0.000 -19.437 0.000) 19.437 19.860 ( 0.000 0.220 -0.000) 0.220 19.906 ( 0.000 6.038 0.000) 6.038 ======================= Grid point 22 (13/312) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.000 39.197 0.000) 39.197 1.680 ( 0.000 41.618 0.000) 41.618 2.765 ( 0.000 25.990 0.000) 25.990 3.443 ( 0.000 65.870 0.000) 65.870 4.783 ( 0.000 5.280 0.000) 5.280 5.535 ( 0.000 1.534 0.000) 1.534 5.914 ( 0.000 -14.875 0.000) 14.875 6.743 ( 0.000 -8.762 0.000) 8.762 6.993 ( 0.000 -10.768 0.000) 10.768 7.366 ( 0.000 -3.306 0.000) 3.306 7.421 ( 0.000 -11.678 0.000) 11.678 7.690 ( 0.000 14.411 0.000) 14.411 7.824 ( 0.000 1.173 0.000) 1.173 8.054 ( 0.000 -0.622 0.000) 0.622 8.444 ( 0.000 18.047 0.000) 18.047 8.991 ( 0.000 7.591 0.000) 7.591 9.131 ( 0.000 -0.648 0.000) 0.648 9.463 ( 0.000 2.178 0.000) 2.178 10.068 ( 0.000 2.758 0.000) 2.758 10.253 ( 0.000 19.847 0.000) 19.847 10.448 ( 0.000 19.818 0.000) 19.818 10.638 ( 0.000 13.871 0.000) 13.871 11.329 ( 0.000 3.112 0.000) 3.112 12.032 ( 0.000 -18.007 0.000) 18.007 12.124 ( 0.000 -21.288 0.000) 21.288 12.389 ( 0.000 -1.847 0.000) 1.847 12.790 ( 0.000 4.154 0.000) 4.154 12.892 ( 0.000 -17.500 0.000) 17.500 13.500 ( 0.000 11.779 0.000) 11.779 13.706 ( 0.000 -2.002 0.000) 2.002 15.959 ( 0.000 -19.186 0.000) 19.186 16.792 ( 0.000 -22.459 0.000) 22.459 17.172 ( 0.000 14.802 0.000) 14.802 18.817 ( 0.000 -7.403 0.000) 7.403 20.115 ( 0.000 10.080 0.000) 10.080 21.402 ( 0.000 -6.499 0.000) 6.499 ======================= Grid point 23 (14/312) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 10.464 37.111 3.670) 38.732 1.952 ( 26.750 32.770 5.579) 42.668 2.880 ( 10.977 19.223 0.601) 22.144 3.590 ( 16.213 65.429 4.394) 67.551 4.717 ( -6.258 5.701 -1.860) 8.667 5.546 ( 0.005 11.745 -4.429) 12.552 5.932 ( 3.157 -21.017 2.180) 21.364 6.702 ( -6.190 -9.503 6.781) 13.214 6.864 ( -8.971 -10.344 -4.794) 14.507 7.326 ( -2.356 -5.325 -8.076) 9.956 7.486 ( 4.068 -11.743 6.825) 14.178 7.669 ( 0.318 2.841 -16.454) 16.701 7.787 ( -5.465 13.714 19.556) 24.503 8.055 ( -0.603 -5.604 -0.025) 5.637 8.550 ( 10.506 19.611 -9.389) 24.148 8.930 ( -4.347 4.971 -5.635) 8.681 9.124 ( -0.585 1.524 1.176) 2.012 9.468 ( 0.505 2.720 2.524) 3.745 10.137 ( 5.852 10.223 -0.193) 11.781 10.300 ( 2.797 18.217 1.901) 18.528 10.454 ( 0.847 19.672 2.742) 19.880 10.710 ( 6.694 6.570 1.797) 9.550 11.307 ( -2.961 3.861 2.097) 5.298 11.932 ( -7.752 -18.217 1.011) 19.824 12.151 ( 2.147 -18.635 -1.011) 18.786 12.394 ( -0.390 -2.973 -2.361) 3.816 12.797 ( 0.462 3.363 0.420) 3.420 12.869 ( -1.542 -14.994 -2.734) 15.319 13.454 ( -4.512 12.178 -0.709) 13.006 13.643 ( -6.395 -1.015 0.393) 6.487 16.012 ( 5.303 -16.391 1.068) 17.261 16.789 ( -0.595 -21.960 1.618) 22.027 17.191 ( 2.299 15.213 -2.639) 15.611 18.754 ( -6.010 -7.438 -1.291) 9.649 20.102 ( -1.447 8.988 0.700) 9.130 21.067 ( -27.695 5.470 -4.662) 28.612 ======================= Grid point 24 (15/312) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 15.178 31.820 4.650) 35.560 2.471 ( 21.943 24.915 4.557) 33.512 3.126 ( 13.208 20.493 -0.481) 24.385 4.171 ( 39.459 45.407 12.037) 61.349 4.539 ( -10.444 7.033 -3.206) 12.993 5.443 ( -7.578 23.829 -11.045) 27.336 6.094 ( 10.698 -25.719 7.584) 28.869 6.504 ( -14.519 -12.898 8.933) 21.377 6.759 ( -1.451 -10.870 -0.981) 11.010 7.232 ( -2.946 -6.172 -14.980) 16.467 7.556 ( -1.369 -8.348 4.784) 9.719 7.632 ( 2.349 -9.644 -4.593) 10.937 7.765 ( -1.421 21.179 3.480) 21.510 8.022 ( -2.477 -9.614 0.732) 9.955 8.717 ( 7.362 14.220 -4.818) 16.722 8.817 ( -3.115 5.537 -10.840) 12.565 9.146 ( 2.652 3.441 2.320) 4.926 9.494 ( 0.788 4.834 3.390) 5.957 10.251 ( 3.037 13.545 2.256) 14.063 10.295 ( -2.705 19.316 -3.365) 19.792 10.516 ( 2.186 21.407 7.137) 22.671 10.870 ( 8.838 -4.690 -3.285) 10.531 11.256 ( -0.515 5.887 5.491) 8.067 11.803 ( -5.805 -13.945 3.346) 15.471 12.193 ( 2.183 -17.314 -0.962) 17.478 12.327 ( -5.505 -0.692 -1.868) 5.854 12.785 ( -2.370 -0.192 0.208) 2.387 12.850 ( 1.747 -5.975 -5.369) 8.220 13.320 ( -9.255 13.665 -0.698) 16.519 13.479 ( -9.733 0.484 -0.091) 9.745 16.163 ( 9.278 -11.942 1.645) 15.212 16.782 ( -0.741 -20.833 2.332) 20.976 17.237 ( 3.422 16.081 -4.708) 17.102 18.595 ( -9.089 -9.719 -1.433) 13.384 20.064 ( -2.677 6.405 0.945) 7.006 20.529 ( -23.272 12.197 -2.797) 26.424 ======================= Grid point 25 (16/312) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 16.938 25.526 6.357) 31.287 2.820 ( 13.432 18.139 0.359) 22.573 3.410 ( 17.120 28.850 1.339) 33.574 4.267 ( -14.038 8.076 -4.013) 16.685 4.978 ( 15.363 16.270 2.958) 22.571 5.317 ( 16.126 27.937 0.722) 32.265 6.202 ( -8.776 -23.003 7.619) 25.773 6.423 ( 9.379 -15.400 9.859) 20.551 6.751 ( -0.041 -10.109 2.285) 10.364 7.131 ( -0.469 -5.077 -18.971) 19.644 7.522 ( -2.231 -9.050 4.150) 10.203 7.673 ( 1.757 -12.125 -4.079) 12.913 7.747 ( -0.404 21.901 -1.937) 21.990 7.986 ( -0.696 -8.969 -0.830) 9.034 8.663 ( -5.494 2.419 -5.015) 7.822 8.865 ( 4.210 4.675 0.143) 6.293 9.238 ( 5.836 6.536 -3.501) 9.436 9.526 ( 2.001 5.311 2.130) 6.062 10.028 ( -21.388 11.806 -5.806) 25.111 10.319 ( 0.459 13.591 2.952) 13.915 10.515 ( -3.132 24.926 5.121) 25.639 11.098 ( 17.428 2.424 -2.626) 17.791 11.395 ( 10.923 0.895 4.101) 11.702 11.717 ( -5.520 -7.261 6.831) 11.395 12.184 ( -4.704 -5.124 -1.730) 7.168 12.237 ( -0.694 -6.073 1.507) 6.295 12.729 ( -2.623 0.965 -2.686) 3.876 12.871 ( 1.349 0.521 -5.474) 5.662 13.085 ( -14.428 14.932 0.447) 20.769 13.303 ( -7.659 1.653 -0.909) 7.888 16.362 ( 10.089 -8.717 1.912) 13.469 16.777 ( -0.598 -19.542 2.053) 19.659 17.277 ( 2.177 16.358 -5.842) 17.506 18.423 ( -7.704 -15.475 -0.240) 17.288 20.005 ( -3.819 3.627 0.681) 5.310 20.181 ( -12.310 8.943 -0.304) 15.219 ======================= Grid point 26 (17/312) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 12.425 20.694 6.673) 25.042 3.012 ( 7.695 17.686 -3.146) 19.543 3.805 ( 20.839 27.532 5.213) 34.920 3.985 ( -11.566 9.195 -3.580) 15.203 4.739 ( -19.379 21.836 -9.737) 30.776 5.913 ( 13.645 -11.599 5.247) 18.661 6.111 ( 5.041 -15.042 10.286) 18.907 6.669 ( 9.225 -14.205 10.102) 19.721 6.760 ( 0.141 -8.303 1.214) 8.393 7.155 ( 10.545 -0.865 -11.837) 15.876 7.494 ( -2.272 -9.714 2.119) 10.198 7.672 ( 0.935 -13.288 -8.165) 15.624 7.742 ( -0.753 19.135 2.877) 19.365 8.026 ( 7.862 0.435 -4.856) 9.251 8.548 ( -5.311 3.471 -2.644) 6.874 8.917 ( 1.063 -6.505 2.625) 7.095 9.179 ( -17.767 9.602 -6.458) 21.203 9.557 ( -7.373 8.831 -0.033) 11.504 9.636 ( 0.213 3.620 -0.505) 3.661 10.328 ( -0.061 13.201 2.197) 13.383 10.483 ( -1.294 29.921 1.705) 29.998 11.426 ( 10.817 -6.604 -1.457) 12.757 11.609 ( 7.893 -0.747 0.861) 7.975 11.678 ( 4.864 3.970 5.910) 8.622 12.101 ( -3.037 3.157 -0.118) 4.383 12.233 ( -1.082 -8.997 3.953) 9.887 12.664 ( -4.602 7.933 -4.184) 10.080 12.742 ( -11.971 17.204 -3.504) 21.250 12.915 ( -1.179 2.636 -0.461) 2.924 13.188 ( -3.857 1.323 -0.427) 4.100 16.545 ( 7.546 -6.315 1.802) 10.003 16.771 ( -0.638 -18.008 1.054) 18.050 17.274 ( -0.374 14.354 -4.695) 15.107 18.313 ( -3.603 -20.378 0.599) 20.703 19.920 ( -4.411 2.033 0.355) 4.870 20.037 ( -3.492 5.273 0.381) 6.336 ======================= Grid point 27 (18/312) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 0.000 18.777 -0.000) 18.777 3.095 ( 0.000 18.933 0.000) 18.933 3.816 ( 0.000 8.959 -0.000) 8.959 4.241 ( -0.000 32.298 -0.000) 32.298 4.333 ( 0.000 15.913 0.000) 15.913 5.942 ( 0.000 -23.466 -0.000) 23.466 6.269 ( 0.000 -13.530 0.000) 13.530 6.753 ( 0.000 -6.835 0.000) 6.835 6.782 ( 0.000 -17.774 -0.000) 17.774 7.346 ( 0.000 -7.499 -0.000) 7.499 7.439 ( 0.000 -5.105 -0.000) 5.105 7.669 ( -0.000 -14.640 0.000) 14.640 7.733 ( 0.000 16.873 -0.000) 16.873 8.313 ( 0.000 3.470 -0.000) 3.470 8.343 ( -0.000 18.003 0.000) 18.003 8.825 ( 0.000 9.003 0.000) 9.003 8.932 ( 0.000 -9.776 0.000) 9.776 9.498 ( 0.000 6.785 0.000) 6.785 9.690 ( -0.000 1.315 -0.000) 1.315 10.332 ( 0.000 13.302 -0.000) 13.302 10.473 ( 0.000 31.191 -0.000) 31.191 11.461 ( 0.000 -9.879 -0.000) 9.879 11.713 ( 0.000 -2.424 -0.000) 2.424 11.837 ( 0.000 5.392 0.000) 5.392 12.061 ( 0.000 2.761 -0.000) 2.761 12.233 ( 0.000 -11.973 0.000) 11.973 12.502 ( 0.000 35.854 0.000) 35.854 12.667 ( 0.000 1.934 0.000) 1.934 12.906 ( 0.000 3.863 0.000) 3.863 13.150 ( 0.000 0.535 0.000) 0.535 16.632 ( 0.000 -5.176 0.000) 5.176 16.763 ( 0.000 -17.027 0.000) 17.027 17.256 ( 0.000 12.258 0.000) 12.258 18.281 ( 0.000 -21.764 0.000) 21.764 19.874 ( 0.000 1.415 0.000) 1.415 20.008 ( 0.000 4.067 0.000) 4.067 ======================= Grid point 33 (19/312) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.000 38.620 0.000) 38.620 2.461 ( 0.000 38.129 0.000) 38.129 3.163 ( 0.000 17.649 0.000) 17.649 4.636 ( 0.000 49.732 0.000) 49.732 4.890 ( 0.000 5.634 0.000) 5.634 5.199 ( 0.000 -27.933 0.000) 27.933 5.892 ( 0.000 -0.280 0.000) 0.280 6.531 ( 0.000 -12.746 0.000) 12.746 6.770 ( 0.000 -3.064 0.000) 3.064 7.204 ( 0.000 -10.247 0.000) 10.247 7.375 ( 0.000 2.813 0.000) 2.813 7.819 ( 0.000 -1.751 0.000) 1.751 7.841 ( 0.000 4.968 0.000) 4.968 8.340 ( 0.000 26.031 0.000) 26.031 8.857 ( 0.000 23.427 0.000) 23.427 9.117 ( 0.000 -1.066 0.000) 1.066 9.208 ( 0.000 14.418 0.000) 14.418 9.547 ( 0.000 6.143 0.000) 6.143 9.920 ( 0.000 -13.559 0.000) 13.559 10.609 ( 0.000 16.152 0.000) 16.152 10.810 ( 0.000 15.533 0.000) 15.533 10.902 ( 0.000 4.398 0.000) 4.398 11.368 ( 0.000 -1.595 0.000) 1.595 11.620 ( 0.000 -27.737 0.000) 27.737 11.657 ( 0.000 -18.511 0.000) 18.511 12.280 ( 0.000 -13.642 0.000) 13.642 12.777 ( 0.000 12.627 0.000) 12.627 12.878 ( 0.000 4.967 0.000) 4.967 13.640 ( 0.000 -3.583 0.000) 3.583 13.775 ( 0.000 16.008 0.000) 16.008 15.573 ( 0.000 -20.033 0.000) 20.033 16.260 ( 0.000 -31.745 0.000) 31.745 17.475 ( 0.000 16.165 0.000) 16.165 18.638 ( 0.000 -10.824 0.000) 10.824 20.335 ( 0.000 12.162 0.000) 12.162 21.249 ( 0.000 -9.085 0.000) 9.085 ======================= Grid point 34 (20/312) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 8.439 35.946 3.585) 37.097 2.615 ( 16.189 34.471 4.801) 38.385 3.239 ( 8.537 17.581 0.648) 19.555 4.720 ( 7.666 45.971 4.033) 46.780 4.835 ( -5.075 6.845 -0.754) 8.554 5.306 ( 9.438 -28.316 6.840) 30.622 5.858 ( -3.293 -1.064 -1.598) 3.812 6.512 ( -2.359 -9.319 3.803) 10.338 6.685 ( -7.207 -0.468 -10.788) 12.982 7.187 ( -3.629 -8.780 3.410) 10.094 7.343 ( 0.300 -1.490 -5.088) 5.310 7.647 ( -7.453 -1.774 -12.649) 14.789 7.911 ( -1.834 -0.222 10.559) 10.719 8.308 ( -1.721 27.121 0.658) 27.183 8.940 ( 2.598 14.686 -7.463) 16.677 9.023 ( -1.977 8.497 -4.960) 10.036 9.237 ( 1.434 10.629 1.814) 10.878 9.556 ( 2.571 5.797 0.514) 6.362 10.091 ( 12.724 -10.373 3.952) 16.885 10.593 ( -0.840 12.710 -3.058) 13.100 10.780 ( -1.299 11.366 -1.369) 11.521 10.949 ( 1.426 8.536 10.033) 13.249 11.371 ( -0.368 -0.285 1.736) 1.797 11.499 ( -7.580 -24.336 5.283) 26.031 11.762 ( 7.506 -18.091 -7.188) 20.863 12.270 ( -0.943 -12.463 -0.101) 12.499 12.788 ( 1.884 11.756 -2.891) 12.252 12.881 ( 0.153 5.826 -0.227) 5.833 13.591 ( -4.821 -2.917 -0.471) 5.654 13.746 ( -2.932 17.144 -0.392) 17.397 15.644 ( 6.749 -20.404 2.312) 21.615 16.261 ( 0.168 -31.619 -0.373) 31.622 17.490 ( 1.525 15.547 -0.363) 15.626 18.587 ( -5.197 -9.937 -0.684) 11.235 20.301 ( -3.448 11.108 0.447) 11.639 21.063 ( -17.140 -4.305 -2.312) 17.823 ======================= Grid point 35 (21/312) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 10.102 32.742 3.890) 34.485 2.961 ( 14.486 25.309 3.490) 29.370 3.526 ( 19.426 20.529 3.492) 28.478 4.668 ( -10.022 7.289 -2.642) 12.671 4.991 ( 16.152 34.060 9.347) 38.838 5.566 ( 12.081 -28.027 10.712) 32.345 5.757 ( -6.201 -3.284 -0.934) 7.079 6.400 ( -11.607 12.031 -2.853) 16.959 6.530 ( -1.473 -12.411 -2.569) 12.759 7.086 ( -4.656 -7.703 -7.078) 11.450 7.381 ( 2.491 -7.807 -0.344) 8.202 7.483 ( -4.899 -6.200 -8.947) 11.937 7.872 ( -3.067 -0.741 4.174) 5.232 8.295 ( 0.780 27.548 -4.412) 27.910 8.810 ( -7.902 0.617 -3.050) 8.493 9.040 ( -0.048 13.448 -5.584) 14.561 9.320 ( 6.100 13.486 -0.213) 14.803 9.612 ( 2.025 6.599 -1.377) 7.039 10.322 ( 8.483 -9.111 -0.815) 12.475 10.531 ( -6.097 9.514 -3.763) 11.910 10.789 ( 2.953 5.487 0.248) 6.236 11.002 ( 1.525 10.820 9.965) 14.789 11.352 ( -1.612 2.729 7.843) 8.459 11.445 ( -0.032 -22.556 5.870) 23.308 11.884 ( 7.073 -11.127 -5.517) 14.292 12.250 ( -0.745 -7.672 -0.794) 7.749 12.833 ( 3.942 10.590 -4.562) 12.186 12.873 ( -0.876 6.515 -0.964) 6.644 13.458 ( -8.503 -0.907 -0.342) 8.558 13.665 ( -4.908 20.802 -0.906) 21.392 15.834 ( 11.274 -20.688 3.790) 23.863 16.265 ( 0.406 -31.293 -0.908) 31.309 17.527 ( 2.361 13.878 -0.926) 14.108 18.435 ( -9.913 -7.922 -1.364) 12.763 20.212 ( -5.601 8.496 0.655) 10.198 20.663 ( -20.923 2.362 -2.037) 21.154 ======================= Grid point 36 (22/312) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 11.464 27.979 6.210) 30.868 3.205 ( 11.356 20.585 -1.702) 23.571 3.925 ( 19.048 24.329 4.611) 31.241 4.427 ( -13.425 7.988 -3.422) 15.992 5.305 ( 6.147 15.380 2.238) 16.714 5.638 ( -3.464 -8.342 2.300) 9.321 5.742 ( 1.890 -17.813 9.240) 20.156 6.281 ( 2.367 5.697 6.435) 8.915 6.531 ( 0.804 -12.475 2.713) 12.792 7.005 ( 0.819 -8.128 -13.216) 15.537 7.354 ( -3.976 -7.699 1.993) 8.891 7.436 ( 0.717 -11.321 -8.015) 13.890 7.878 ( 3.150 4.688 5.290) 7.739 8.312 ( 4.393 29.092 -13.134) 32.220 8.666 ( -5.366 -1.626 -3.798) 6.772 8.968 ( -6.600 9.222 3.215) 11.788 9.429 ( 5.015 10.953 -3.460) 12.533 9.618 ( 0.451 3.314 -5.436) 6.382 10.184 ( -19.711 2.975 -7.152) 21.178 10.503 ( 3.258 6.517 3.378) 8.031 10.867 ( 4.081 2.287 -1.452) 4.898 11.107 ( 5.442 2.978 5.137) 8.054 11.394 ( 2.573 -4.435 6.225) 8.065 11.523 ( 5.564 -11.530 13.338) 18.488 11.988 ( 4.917 -3.975 -2.875) 6.946 12.237 ( -0.528 -1.946 -1.579) 2.561 12.838 ( -2.168 8.123 -1.591) 8.557 12.904 ( 4.697 7.654 -5.495) 10.528 13.278 ( -9.401 3.349 0.531) 9.994 13.561 ( -5.161 26.859 -1.268) 27.380 16.081 ( 11.901 -20.233 5.116) 24.025 16.272 ( 1.018 -30.568 -2.315) 30.672 17.566 ( 1.802 12.286 -1.751) 12.540 18.212 ( -11.784 -7.039 -1.329) 13.791 20.098 ( -6.211 5.692 0.421) 8.435 20.305 ( -14.645 3.971 -0.331) 15.177 ======================= Grid point 37 (23/312) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 8.510 23.196 6.679) 25.594 3.403 ( 10.153 21.426 -4.236) 24.085 4.144 ( -13.286 8.319 -2.143) 15.822 4.306 ( 18.661 22.327 5.238) 29.566 5.136 ( -16.510 16.663 -8.687) 25.014 5.518 ( -6.464 -24.404 1.801) 25.310 5.961 ( 11.080 -3.591 10.136) 15.440 6.377 ( 1.886 -13.859 3.895) 14.519 6.584 ( 2.236 -9.940 6.976) 12.348 7.037 ( 5.035 -12.600 -7.409) 15.460 7.296 ( -2.417 -8.934 0.683) 9.280 7.407 ( -0.767 -12.887 -5.643) 14.090 8.042 ( 9.087 14.385 14.773) 22.533 8.380 ( 7.473 27.888 -22.771) 36.771 8.606 ( 3.088 2.792 -3.643) 5.532 8.841 ( -6.315 2.218 3.089) 7.372 9.384 ( -13.657 10.908 -1.980) 17.590 9.637 ( 3.834 -0.723 -6.047) 7.196 9.771 ( -15.282 9.208 -0.244) 17.844 10.558 ( 1.346 10.148 2.595) 10.561 10.916 ( 1.687 6.695 -1.889) 7.158 11.176 ( 0.067 -13.081 2.792) 13.375 11.496 ( 5.762 -8.545 2.092) 10.516 11.730 ( 9.827 -3.924 10.947) 15.225 12.049 ( 1.968 -0.001 -0.171) 1.975 12.200 ( -3.154 0.632 -2.046) 3.812 12.788 ( -2.044 6.969 -1.320) 7.381 12.964 ( 3.097 5.326 -5.968) 8.577 13.125 ( -6.124 11.670 2.316) 13.381 13.470 ( -3.415 33.730 -0.997) 33.917 16.256 ( 1.342 -29.734 4.957) 30.175 16.331 ( 8.070 -19.567 -3.057) 21.386 17.573 ( -0.515 13.126 -2.182) 13.316 18.012 ( -7.498 -9.650 -0.228) 12.223 19.980 ( -5.467 4.067 0.039) 6.814 20.113 ( -5.523 2.634 0.548) 6.143 ======================= Grid point 38 (24/312) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 0.000 21.086 -0.000) 21.086 3.524 ( 0.000 24.473 -0.000) 24.473 3.974 ( 0.000 6.217 0.000) 6.217 4.644 ( 0.000 15.271 0.000) 15.271 4.801 ( 0.000 23.264 0.000) 23.264 5.458 ( 0.000 -24.295 -0.000) 24.295 6.097 ( 0.000 -4.075 0.000) 4.075 6.392 ( 0.000 -20.036 0.000) 20.036 6.620 ( 0.000 -8.057 0.000) 8.057 7.084 ( 0.000 -18.079 -0.000) 18.079 7.270 ( 0.000 -8.964 -0.000) 8.964 7.387 ( 0.000 -13.568 -0.000) 13.568 8.198 ( 0.000 25.972 -0.000) 25.972 8.380 ( 0.000 2.812 0.000) 2.812 8.777 ( -0.000 4.518 -0.000) 4.518 8.831 ( -0.000 21.530 0.000) 21.530 9.008 ( 0.000 9.474 0.000) 9.474 9.652 ( -0.000 8.035 0.000) 8.035 9.679 ( 0.000 -1.831 -0.000) 1.831 10.576 ( 0.000 11.183 0.000) 11.183 10.928 ( 0.000 8.235 -0.000) 8.235 11.173 ( 0.000 -15.673 -0.000) 15.673 11.566 ( 0.000 -10.215 -0.000) 10.215 11.881 ( 0.000 -5.542 -0.000) 5.542 12.072 ( 0.000 -0.470 0.000) 0.470 12.130 ( 0.000 3.481 -0.000) 3.481 12.764 ( 0.000 6.307 0.000) 6.307 12.978 ( -0.000 2.957 0.000) 2.957 13.074 ( 0.000 17.609 -0.000) 17.609 13.434 ( 0.000 37.195 0.000) 37.195 16.268 ( 0.000 -31.337 -0.000) 31.337 16.422 ( 0.000 -17.445 0.000) 17.445 17.554 ( 0.000 14.513 0.000) 14.513 17.940 ( 0.000 -11.913 0.000) 11.913 19.922 ( 0.000 3.538 0.000) 3.538 20.065 ( 0.000 1.894 0.000) 1.894 ======================= Grid point 44 (25/312) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 0.000 33.478 0.000) 33.478 3.152 ( 0.000 33.326 0.000) 33.326 3.438 ( 0.000 9.145 0.000) 9.145 4.532 ( 0.000 -34.527 0.000) 34.527 5.010 ( 0.000 7.378 0.000) 7.378 5.432 ( 0.000 28.005 0.000) 28.005 5.630 ( 0.000 -20.470 0.000) 20.470 6.253 ( 0.000 -15.738 0.000) 15.738 6.902 ( 0.000 6.975 0.000) 6.975 7.037 ( 0.000 -6.404 0.000) 6.404 7.475 ( 0.000 8.197 0.000) 8.197 7.757 ( 0.000 -4.640 0.000) 4.640 8.139 ( 0.000 27.197 0.000) 27.197 8.833 ( 0.000 21.832 0.000) 21.832 9.026 ( 0.000 -6.832 0.000) 6.832 9.357 ( 0.000 23.613 0.000) 23.613 9.574 ( 0.000 22.883 0.000) 22.883 9.597 ( 0.000 -19.245 0.000) 19.245 9.693 ( 0.000 9.325 0.000) 9.325 10.749 ( 0.000 -19.140 0.000) 19.140 10.796 ( 0.000 -4.787 0.000) 4.787 10.942 ( 0.000 -29.448 0.000) 29.448 10.979 ( 0.000 7.640 0.000) 7.640 11.366 ( 0.000 -7.282 0.000) 7.282 11.494 ( 0.000 5.345 0.000) 5.345 11.977 ( 0.000 -14.927 0.000) 14.927 12.987 ( 0.000 6.312 0.000) 6.312 13.132 ( 0.000 10.310 0.000) 10.310 13.719 ( 0.000 19.199 0.000) 19.199 14.091 ( 0.000 14.874 0.000) 14.874 15.202 ( 0.000 -16.895 0.000) 16.895 15.587 ( 0.000 -35.782 0.000) 35.782 17.795 ( 0.000 16.521 0.000) 16.521 18.398 ( 0.000 -13.685 0.000) 13.685 20.579 ( 0.000 12.728 0.000) 12.728 21.052 ( 0.000 -11.028 0.000) 11.028 ======================= Grid point 45 (26/312) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 5.085 29.400 1.748) 29.888 3.256 ( 8.381 29.288 2.538) 30.569 3.541 ( 11.872 13.812 4.016) 18.650 4.665 ( 11.629 -33.143 7.723) 35.963 4.957 ( -5.179 7.461 -0.402) 9.091 5.450 ( 0.881 22.326 3.001) 22.544 5.584 ( -4.227 -16.420 1.064) 16.988 6.260 ( 0.698 -15.490 -1.246) 15.556 6.867 ( -3.260 8.015 -5.426) 10.213 7.031 ( -2.077 -6.422 4.233) 7.967 7.392 ( -5.752 5.809 -6.777) 10.619 7.616 ( -10.560 -3.062 -9.615) 14.606 8.109 ( -3.102 23.533 1.890) 23.812 8.755 ( -5.291 11.401 -5.832) 13.856 9.013 ( -2.735 5.459 3.372) 6.976 9.375 ( -2.221 16.624 -1.923) 16.882 9.507 ( 5.899 13.207 -4.000) 15.007 9.671 ( 5.774 6.058 -4.792) 9.644 9.893 ( 9.577 -4.183 7.946) 13.128 10.669 ( -3.522 -12.579 -5.621) 14.220 10.774 ( -1.973 -10.490 -2.318) 10.922 10.943 ( 0.074 -22.678 1.273) 22.714 11.034 ( 1.607 4.388 14.169) 14.920 11.348 ( -2.479 -5.886 7.368) 9.751 11.607 ( 11.109 3.695 -6.417) 13.351 12.006 ( 3.354 -12.699 -2.203) 13.318 12.972 ( -0.995 6.432 -1.868) 6.771 13.140 ( 0.628 7.992 -1.910) 8.241 13.697 ( -2.242 21.596 1.095) 21.740 14.088 ( -0.185 16.355 -0.061) 16.356 15.252 ( 4.734 -18.567 2.445) 19.316 15.590 ( 0.650 -35.586 -1.578) 35.627 17.795 ( -0.075 15.691 0.141) 15.692 18.365 ( -3.490 -12.776 -0.105) 13.245 20.524 ( -5.507 11.575 0.329) 12.823 20.933 ( -11.449 -8.527 -0.843) 14.301 ======================= Grid point 46 (27/312) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 6.797 26.196 2.368) 27.167 3.409 ( 7.494 18.106 -0.563) 19.604 3.930 ( 22.664 21.658 9.981) 32.899 4.804 ( -8.988 6.837 -1.746) 11.427 4.990 ( 15.378 -28.504 12.038) 34.553 5.396 ( -8.492 -16.800 3.371) 19.123 5.582 ( 4.562 17.568 3.826) 18.550 6.265 ( 0.165 -14.549 -0.824) 14.573 6.714 ( -10.731 10.421 -5.440) 15.917 6.946 ( -7.178 -6.596 -0.797) 9.781 7.289 ( -2.063 -1.683 -5.111) 5.763 7.380 ( -8.902 -4.606 -7.779) 12.687 8.070 ( 0.147 20.514 -1.621) 20.578 8.629 ( -4.319 0.091 -8.568) 9.595 8.950 ( -3.155 18.619 -3.871) 19.277 9.355 ( -0.485 18.374 4.852) 19.010 9.593 ( 2.222 12.534 -5.206) 13.753 9.724 ( -0.648 4.260 -5.636) 7.094 10.061 ( 8.966 -13.481 -5.833) 17.209 10.588 ( -5.614 -9.704 1.968) 11.382 10.762 ( 2.211 -4.780 -6.716) 8.534 10.966 ( 0.778 -19.478 9.490) 21.681 11.129 ( 4.382 2.151 14.400) 15.205 11.330 ( -2.222 -4.451 9.930) 11.107 11.825 ( 12.252 3.811 -4.753) 13.683 12.086 ( 5.498 -7.928 -3.668) 10.321 12.944 ( -1.008 5.218 -2.810) 6.012 13.123 ( -1.692 3.115 -3.709) 5.130 13.655 ( -2.138 28.348 1.956) 28.496 14.092 ( 0.871 20.906 -0.136) 20.925 15.397 ( 8.532 -22.853 5.256) 24.954 15.603 ( 1.742 -34.686 -3.786) 34.935 17.790 ( -0.538 13.275 0.015) 13.286 18.261 ( -7.086 -10.132 -0.476) 12.373 20.383 ( -8.673 8.724 0.572) 12.315 20.647 ( -16.434 -3.558 -0.744) 16.831 ======================= Grid point 47 (28/312) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 7.276 22.999 4.508) 24.540 3.569 ( 9.894 14.505 -3.073) 17.825 4.378 ( 18.684 22.524 9.141) 30.659 4.581 ( -12.721 8.775 -2.801) 15.706 5.216 ( -9.939 -22.449 2.190) 24.648 5.277 ( 7.963 -20.957 8.153) 23.855 5.728 ( 8.186 13.734 5.872) 17.032 6.275 ( 0.870 -13.416 2.316) 13.643 6.456 ( -12.397 7.809 -0.272) 14.654 6.808 ( -4.805 -11.321 -5.765) 13.583 7.227 ( -4.552 -4.995 0.131) 6.759 7.253 ( -1.771 -6.962 -7.880) 10.663 8.133 ( 6.659 17.224 0.686) 18.479 8.554 ( -1.008 -4.810 -5.061) 7.054 8.891 ( 1.551 24.340 -15.599) 28.951 9.308 ( -8.860 25.462 5.836) 27.584 9.560 ( 0.686 -1.987 -6.725) 7.046 9.691 ( -0.771 7.328 -4.813) 8.801 10.116 ( -3.770 -8.643 -11.517) 14.885 10.526 ( 0.010 -10.903 5.381) 12.158 10.757 ( 0.066 -3.935 -6.729) 7.795 11.020 ( 0.598 -10.052 11.758) 15.481 11.316 ( 5.689 -1.274 8.795) 10.552 11.349 ( 4.209 -6.701 14.759) 16.746 12.014 ( 7.883 4.062 -2.622) 9.248 12.170 ( 3.938 -3.919 -4.184) 6.955 12.911 ( -1.561 3.201 -2.623) 4.424 13.051 ( -3.953 -0.884 -3.954) 5.660 13.640 ( -0.062 35.327 1.641) 35.365 14.127 ( 2.759 27.894 -0.121) 28.030 15.563 ( 3.224 -32.106 7.052) 33.029 15.670 ( 9.276 -28.640 -5.434) 30.591 17.774 ( -1.045 9.689 -0.357) 9.752 18.094 ( -9.564 -6.245 -0.844) 11.454 20.213 ( -8.618 5.682 0.504) 10.334 20.342 ( -13.833 -0.072 0.102) 13.834 ======================= Grid point 48 (29/312) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 5.377 19.868 4.569) 21.084 3.772 ( 12.266 12.965 -3.542) 18.195 4.302 ( -14.604 10.037 -1.795) 17.811 4.707 ( 12.629 18.451 6.585) 23.308 5.050 ( -7.220 -21.551 -0.403) 22.732 5.307 ( -4.706 -2.658 -0.698) 5.449 5.920 ( 8.388 1.667 7.341) 11.270 6.197 ( -7.027 -5.347 -2.522) 9.184 6.407 ( 2.947 -6.086 9.653) 11.785 6.724 ( -1.926 -17.194 -6.152) 18.363 7.155 ( -2.623 -5.247 -0.377) 5.878 7.196 ( -1.848 -8.145 -4.487) 9.480 8.302 ( 8.206 9.925 5.652) 14.063 8.529 ( -1.292 -3.779 -1.714) 4.346 8.963 ( 13.184 22.430 -19.754) 32.667 9.105 ( -10.389 22.457 1.226) 24.774 9.600 ( -4.167 5.997 -11.561) 13.674 9.610 ( -0.334 5.290 6.541) 8.419 9.902 ( -11.204 3.138 -3.179) 12.062 10.564 ( 0.764 -25.549 2.274) 25.661 10.751 ( 1.062 4.449 -3.042) 5.494 11.065 ( 1.094 -5.804 4.179) 7.235 11.376 ( 1.733 -2.862 6.752) 7.536 11.567 ( 8.136 -10.221 10.379) 16.685 12.109 ( 2.888 3.756 -1.207) 4.889 12.195 ( 0.104 -0.881 -3.699) 3.804 12.867 ( -1.933 2.403 -1.486) 3.424 12.971 ( -2.557 -2.676 -2.529) 4.483 13.654 ( 0.741 38.704 0.682) 38.717 14.187 ( 2.916 34.519 -0.026) 34.642 15.597 ( 0.414 -34.337 1.507) 34.373 15.862 ( 8.810 -28.456 -0.365) 29.791 17.755 ( -0.471 6.334 -0.653) 6.385 17.911 ( -8.156 -2.586 -0.532) 8.573 20.066 ( -6.199 4.261 0.122) 7.523 20.144 ( -6.448 0.526 0.617) 6.499 ======================= Grid point 49 (30/312) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 0.000 18.602 -0.000) 18.602 4.019 ( -0.000 -2.458 0.000) 2.458 4.021 ( 0.000 25.749 -0.000) 25.749 4.914 ( 0.000 -17.796 0.000) 17.796 4.922 ( -0.000 13.552 -0.000) 13.552 5.223 ( -0.000 4.623 -0.000) 4.623 6.065 ( 0.000 -10.392 0.000) 10.392 6.081 ( -0.000 0.967 -0.000) 0.967 6.465 ( 0.000 -6.910 0.000) 6.910 6.694 ( 0.000 -20.226 -0.000) 20.226 7.128 ( 0.000 -5.302 0.000) 5.302 7.167 ( 0.000 -8.351 -0.000) 8.351 8.424 ( -0.000 2.004 -0.000) 2.004 8.490 ( 0.000 1.664 -0.000) 1.664 8.992 ( 0.000 23.142 -0.000) 23.142 9.177 ( -0.000 7.414 0.000) 7.414 9.388 ( 0.000 26.325 -0.000) 26.325 9.662 ( -0.000 2.631 -0.000) 2.631 9.778 ( 0.000 3.948 -0.000) 3.948 10.571 ( 0.000 -30.379 -0.000) 30.379 10.759 ( 0.000 7.969 -0.000) 7.969 11.083 ( 0.000 -4.803 -0.000) 4.803 11.411 ( 0.000 -3.628 -0.000) 3.628 11.673 ( 0.000 -12.715 0.000) 12.715 12.132 ( 0.000 3.499 0.000) 3.499 12.179 ( 0.000 1.357 -0.000) 1.357 12.843 ( 0.000 2.403 0.000) 2.403 12.942 ( 0.000 -3.235 0.000) 3.235 13.664 ( 0.000 39.519 -0.000) 39.519 14.218 ( 0.000 37.210 0.000) 37.210 15.603 ( 0.000 -34.178 -0.000) 34.178 15.954 ( 0.000 -29.418 0.000) 29.418 17.756 ( 0.000 5.937 0.000) 5.937 17.816 ( -0.000 -1.982 0.000) 1.982 20.001 ( 0.000 4.151 0.000) 4.151 20.085 ( 0.000 0.149 0.000) 0.149 ======================= Grid point 55 (31/312) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 0.000 -10.074 0.000) 10.074 3.447 ( 0.000 10.074 0.000) 10.074 3.834 ( 0.000 -36.381 0.000) 36.381 3.834 ( 0.000 36.381 0.000) 36.381 5.228 ( 0.000 -16.149 0.000) 16.149 5.228 ( 0.000 16.149 0.000) 16.149 5.909 ( 0.000 -20.059 0.000) 20.059 5.909 ( 0.000 20.059 0.000) 20.059 6.961 ( 0.000 -1.872 0.000) 1.872 6.961 ( 0.000 1.872 0.000) 1.872 7.639 ( 0.000 -7.467 0.000) 7.467 7.639 ( 0.000 7.467 0.000) 7.467 8.730 ( 0.000 -25.908 0.000) 25.908 8.730 ( 0.000 25.908 0.000) 25.908 9.200 ( 0.000 -18.629 0.000) 18.629 9.200 ( 0.000 18.629 0.000) 18.629 9.709 ( 0.000 -7.654 0.000) 7.654 9.709 ( 0.000 7.654 0.000) 7.654 10.178 ( 0.000 -32.888 0.000) 32.888 10.178 ( 0.000 32.888 0.000) 32.888 10.641 ( 0.000 -0.495 0.000) 0.495 10.641 ( 0.000 0.495 0.000) 0.495 11.186 ( 0.000 -10.763 0.000) 10.763 11.186 ( 0.000 10.763 0.000) 10.763 11.707 ( 0.000 -13.138 0.000) 13.138 11.707 ( 0.000 13.138 0.000) 13.138 13.115 ( 0.000 -6.145 0.000) 6.145 13.115 ( 0.000 6.145 0.000) 6.145 14.187 ( 0.000 -13.155 0.000) 13.155 14.187 ( 0.000 13.155 0.000) 13.155 15.054 ( 0.000 -9.641 0.000) 9.641 15.054 ( 0.000 9.641 0.000) 9.641 18.111 ( 0.000 -15.665 0.000) 15.665 18.111 ( 0.000 15.665 0.000) 15.665 20.824 ( 0.000 -12.270 0.000) 12.270 20.824 ( 0.000 12.270 0.000) 12.270 ======================= Grid point 57 (32/312) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.467 ( 2.549 -7.990 -1.149) 8.466 3.467 ( 2.549 7.990 -1.149) 8.466 4.009 ( 15.134 -32.936 9.348) 37.433 4.009 ( 15.134 32.936 9.348) 37.433 5.174 ( -5.456 -15.922 0.223) 16.832 5.174 ( -5.456 15.922 0.223) 16.832 5.921 ( 1.135 -19.590 0.373) 19.626 5.921 ( 1.135 19.590 0.373) 19.626 6.943 ( -2.363 -2.837 0.246) 3.701 6.943 ( -2.363 2.837 0.246) 3.701 7.519 ( -9.653 -6.300 -7.101) 13.539 7.519 ( -9.653 6.300 -7.101) 13.539 8.620 ( -8.181 -20.909 -4.123) 22.828 8.620 ( -8.181 20.909 -4.123) 22.828 9.273 ( 5.456 -16.627 1.392) 17.555 9.273 ( 5.456 16.627 1.392) 17.555 9.746 ( 3.232 -5.592 -4.440) 7.838 9.746 ( 3.232 5.592 -4.440) 7.838 10.167 ( -1.445 -28.009 3.314) 28.241 10.167 ( -1.445 28.009 3.314) 28.241 10.667 ( 3.102 -5.063 -2.168) 6.321 10.667 ( 3.102 5.063 -2.168) 6.321 11.193 ( -0.783 -9.224 8.730) 12.724 11.193 ( -0.783 9.224 8.730) 12.724 11.778 ( 7.463 -10.988 -3.128) 13.646 11.778 ( 7.463 10.988 -3.128) 13.646 13.101 ( -1.076 -6.386 -2.172) 6.830 13.101 ( -1.076 6.386 -2.172) 6.830 14.196 ( 0.775 -14.055 1.772) 14.187 14.196 ( 0.775 14.055 1.772) 14.187 15.069 ( 1.787 -8.326 -0.701) 8.545 15.069 ( 1.787 8.326 -0.701) 8.545 18.094 ( -1.773 -14.806 0.175) 14.913 18.094 ( -1.773 14.806 0.175) 14.913 20.743 ( -7.964 -10.714 -0.013) 13.349 20.743 ( -7.964 10.714 -0.013) 13.349 ======================= Grid point 59 (33/312) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 5.351 -6.274 -0.791) 8.284 3.541 ( 5.351 6.274 -0.791) 8.284 4.412 ( 20.479 -27.877 13.451) 37.114 4.412 ( 20.479 27.877 13.451) 37.114 5.028 ( -9.275 -15.528 -0.488) 18.094 5.028 ( -9.275 15.528 -0.488) 18.094 5.955 ( 2.074 -17.504 1.499) 17.691 5.955 ( 2.074 17.504 1.499) 17.691 6.835 ( -9.444 -4.818 -1.269) 10.677 6.835 ( -9.444 4.818 -1.269) 10.677 7.304 ( -8.002 -2.806 -6.962) 10.971 7.304 ( -8.002 2.806 -6.962) 10.971 8.464 ( -5.092 -15.471 -5.110) 17.070 8.464 ( -5.092 15.471 -5.110) 17.070 9.356 ( 2.525 -19.272 -4.049) 19.854 9.356 ( 2.525 19.272 -4.049) 19.854 9.766 ( 0.859 -3.645 -6.655) 7.636 9.766 ( 0.859 3.645 -6.655) 7.636 10.151 ( -1.217 -24.947 0.686) 24.986 10.151 ( -1.217 24.947 0.686) 24.986 10.744 ( 4.533 -3.875 2.195) 6.355 10.744 ( 4.533 3.875 2.195) 6.355 11.220 ( 0.089 -6.039 12.654) 14.021 11.220 ( 0.089 6.039 12.654) 14.021 11.944 ( 9.751 -6.966 -3.689) 12.539 11.944 ( 9.751 6.966 -3.689) 12.539 13.057 ( -2.542 -5.968 -3.428) 7.337 13.057 ( -2.542 5.968 -3.428) 7.337 14.236 ( 2.636 -16.829 2.587) 17.229 14.236 ( 2.636 16.829 2.587) 17.229 15.121 ( 3.936 -5.517 -0.916) 6.839 15.121 ( 3.936 5.517 -0.916) 6.839 18.041 ( -3.783 -12.283 0.049) 12.853 18.041 ( -3.783 12.283 0.049) 12.853 20.540 ( -12.206 -7.080 0.201) 14.112 20.540 ( -12.206 7.080 0.201) 14.112 ======================= Grid point 61 (34/312) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.661 ( 6.949 -6.563 0.062) 9.558 3.661 ( 6.949 6.563 0.062) 9.558 4.804 ( 1.277 -19.372 5.451) 20.165 4.804 ( 1.277 19.372 5.451) 20.165 4.842 ( 3.667 -19.211 4.696) 20.114 4.842 ( 3.667 19.211 4.696) 20.114 6.010 ( 2.563 -14.053 2.885) 14.573 6.010 ( 2.563 14.053 2.885) 14.573 6.606 ( -11.346 -8.783 -2.260) 14.525 6.606 ( -11.346 8.783 -2.260) 14.525 7.178 ( -3.818 -0.512 -4.192) 5.693 7.178 ( -3.818 0.512 -4.192) 5.693 8.408 ( 0.473 -10.284 -2.557) 10.607 8.408 ( 0.473 10.284 -2.557) 10.607 9.334 ( -0.854 -19.149 -14.079) 23.783 9.334 ( -0.854 19.149 -14.079) 23.783 9.760 ( -0.426 -9.960 1.990) 10.166 9.760 ( -0.426 9.960 1.990) 10.166 10.104 ( -2.880 -19.303 -5.861) 20.377 10.104 ( -2.880 19.303 -5.861) 20.377 10.840 ( 3.617 -8.451 4.836) 10.387 10.840 ( 3.617 8.451 4.836) 10.387 11.292 ( 2.918 -0.783 12.716) 13.070 11.292 ( 2.918 0.783 12.716) 13.070 12.095 ( 6.466 -3.937 -3.185) 8.214 12.095 ( 6.466 3.937 -3.185) 8.214 12.985 ( -3.473 -4.208 -3.214) 6.332 12.985 ( -3.473 4.208 -3.214) 6.332 14.311 ( 3.928 -21.445 2.106) 21.903 14.311 ( 3.928 21.445 2.106) 21.903 15.215 ( 5.809 -10.067 -0.547) 11.636 15.215 ( 5.809 10.067 -0.547) 11.636 17.951 ( -5.252 -8.378 -0.280) 9.892 17.951 ( -5.252 8.378 -0.280) 9.892 20.305 ( -11.321 -3.519 0.485) 11.866 20.305 ( -11.321 3.519 0.485) 11.866 ======================= Grid point 63 (35/312) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.796 ( 6.262 -9.370 0.727) 11.293 3.796 ( 6.262 9.370 0.727) 11.293 4.607 ( -9.287 -19.770 -1.897) 21.925 4.607 ( -9.287 19.770 -1.897) 21.925 5.086 ( 7.531 -16.321 6.229) 19.023 5.086 ( 7.531 16.321 6.229) 19.023 6.053 ( 0.449 -9.394 2.306) 9.683 6.053 ( 0.449 9.394 2.306) 9.683 6.446 ( -4.072 -9.702 -0.668) 10.543 6.446 ( -4.072 9.702 -0.668) 10.543 7.107 ( -2.369 -0.785 -2.383) 3.451 7.107 ( -2.369 0.785 -2.383) 3.451 8.439 ( 2.188 -5.284 0.246) 5.724 8.439 ( 2.188 5.284 0.246) 5.724 9.275 ( 0.076 -8.035 -11.291) 13.858 9.275 ( 0.076 8.035 -11.291) 13.858 9.755 ( -0.645 -6.310 0.612) 6.373 9.755 ( -0.645 6.310 0.612) 6.373 10.014 ( -4.061 -22.151 -2.964) 22.714 10.014 ( -4.061 22.151 -2.964) 22.714 10.904 ( 1.635 -9.623 2.755) 10.142 10.904 ( 1.635 9.623 2.755) 10.142 11.401 ( 3.744 -5.576 8.425) 10.774 11.401 ( 3.744 5.576 8.425) 10.774 12.167 ( 2.116 -2.137 -2.175) 3.712 12.167 ( 2.116 2.137 -2.175) 3.712 12.915 ( -2.495 -2.716 -1.884) 4.141 12.915 ( -2.495 2.716 -1.884) 4.141 14.384 ( 2.721 -26.306 1.021) 26.466 14.384 ( 2.721 26.306 1.021) 26.466 15.325 ( 4.924 -18.585 -0.090) 19.227 15.325 ( 4.924 18.585 -0.090) 19.227 17.852 ( -4.232 -3.948 -0.364) 5.799 17.852 ( -4.232 3.948 -0.364) 5.799 20.130 ( -6.527 -2.053 0.443) 6.856 20.130 ( -6.527 2.053 0.443) 6.856 ======================= Grid point 65 (36/312) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( 0.000 -12.399 -0.000) 12.399 3.869 ( 0.000 12.399 -0.000) 12.399 4.500 ( 0.000 -23.053 -0.000) 23.053 4.500 ( 0.000 23.053 -0.000) 23.053 5.168 ( 0.000 -10.397 0.000) 10.397 5.168 ( 0.000 10.397 0.000) 10.397 6.054 ( 0.000 -4.911 0.000) 4.911 6.054 ( 0.000 4.911 0.000) 4.911 6.416 ( 0.000 -4.830 0.000) 4.830 6.416 ( 0.000 4.830 -0.000) 4.830 7.078 ( 0.000 -0.710 0.000) 0.710 7.078 ( 0.000 0.710 -0.000) 0.710 8.464 ( 0.000 -2.162 -0.000) 2.162 8.464 ( 0.000 2.162 -0.000) 2.162 9.261 ( 0.000 -0.997 0.000) 0.997 9.261 ( -0.000 0.997 0.000) 0.997 9.746 ( 0.000 -9.378 0.000) 9.378 9.746 ( 0.000 9.378 0.000) 9.378 9.964 ( 0.000 -28.327 -0.000) 28.327 9.964 ( 0.000 28.327 -0.000) 28.327 10.924 ( 0.000 -9.550 -0.000) 9.550 10.924 ( 0.000 9.550 -0.000) 9.550 11.457 ( 0.000 -7.869 -0.000) 7.869 11.457 ( 0.000 7.869 0.000) 7.869 12.180 ( 0.000 -1.246 -0.000) 1.246 12.180 ( 0.000 1.246 -0.000) 1.246 12.886 ( 0.000 -2.411 0.000) 2.411 12.886 ( 0.000 2.411 0.000) 2.411 14.414 ( 0.000 -28.354 0.000) 28.354 14.414 ( 0.000 28.354 -0.000) 28.354 15.377 ( 0.000 -22.307 0.000) 22.307 15.377 ( 0.000 22.307 0.000) 22.307 17.807 ( 0.000 -0.323 0.000) 0.323 17.807 ( 0.000 0.323 0.000) 0.323 20.066 ( 0.000 -2.199 0.000) 2.199 20.066 ( 0.000 2.199 0.000) 2.199 ======================= Grid point 121 (37/312) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 5.970 0.000 36.229) 36.718 0.794 ( -2.098 0.000 40.646) 40.700 1.641 ( -5.362 0.000 79.702) 79.882 2.686 ( -3.573 0.000 15.705) 16.106 5.018 ( -4.298 0.000 -2.312) 4.880 5.261 ( -21.252 0.000 18.821) 28.388 6.269 ( 3.117 0.000 -9.136) 9.653 6.813 ( 5.661 0.000 -16.578) 17.518 7.010 ( 3.744 0.000 -5.319) 6.504 7.112 ( 0.862 0.000 4.187) 4.275 7.476 ( -3.740 0.000 -16.442) 16.862 7.707 ( 7.019 0.000 -7.321) 10.142 8.022 ( -2.820 0.000 15.074) 15.335 8.130 ( 20.224 0.000 5.181) 20.877 8.290 ( 2.934 0.000 5.478) 6.214 8.934 ( -10.458 0.000 -1.119) 10.517 9.239 ( -5.282 0.000 3.479) 6.325 9.671 ( 2.300 0.000 10.971) 11.209 9.707 ( -0.499 0.000 4.795) 4.820 9.789 ( 8.169 0.000 8.767) 11.983 10.070 ( -3.574 0.000 22.384) 22.668 10.677 ( 5.612 0.000 2.574) 6.174 11.236 ( -16.619 0.000 -0.972) 16.647 11.670 ( -0.523 0.000 -3.310) 3.351 12.353 ( -1.576 0.000 -9.307) 9.439 12.497 ( -0.578 0.000 -10.170) 10.186 12.848 ( 1.875 0.000 9.093) 9.285 13.263 ( -4.016 0.000 -2.960) 4.989 13.367 ( 15.706 0.000 -6.755) 17.097 13.433 ( 0.032 0.000 -0.105) 0.110 16.305 ( -5.439 0.000 -13.734) 14.772 16.600 ( 1.834 0.000 -11.196) 11.346 17.388 ( -8.400 0.000 13.340) 15.764 19.785 ( -1.401 0.000 -5.910) 6.074 19.931 ( 3.219 0.000 2.324) 3.970 20.608 ( -24.390 0.000 -1.845) 24.460 ======================= Grid point 122 (38/312) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 26.075 0.000 30.349) 40.012 1.355 ( 22.594 0.000 39.820) 45.783 2.238 ( 44.981 0.000 51.993) 68.750 2.697 ( 0.844 0.000 17.467) 17.488 4.856 ( -22.775 0.000 24.059) 33.129 4.883 ( -7.926 0.000 -5.855) 9.854 6.408 ( 13.563 0.000 -8.571) 16.044 6.817 ( 0.829 0.000 -19.915) 19.932 7.044 ( 0.903 0.000 -5.178) 5.256 7.130 ( -0.475 0.000 4.239) 4.265 7.311 ( -6.158 0.000 -16.135) 17.270 7.852 ( 10.119 0.000 -4.143) 10.934 7.968 ( -8.268 0.000 17.865) 19.686 8.325 ( 0.456 0.000 6.113) 6.130 8.399 ( 4.228 0.000 8.771) 9.737 8.692 ( -10.901 0.000 -8.903) 14.074 9.191 ( 0.425 0.000 2.256) 2.296 9.732 ( 0.204 0.000 9.960) 9.962 9.770 ( 3.319 0.000 6.572) 7.362 9.796 ( -4.888 0.000 14.548) 15.347 10.070 ( -4.188 0.000 22.079) 22.473 10.883 ( 12.433 0.000 7.241) 14.388 11.298 ( 9.663 0.000 -22.036) 24.062 11.649 ( -0.145 0.000 -4.591) 4.593 12.257 ( -5.249 0.000 -9.364) 10.735 12.460 ( 0.882 0.000 -11.189) 11.224 12.924 ( 2.110 0.000 10.288) 10.502 13.099 ( -10.835 0.000 -7.263) 13.045 13.400 ( -3.400 0.000 0.011) 3.400 13.474 ( -2.566 0.000 -7.422) 7.853 16.153 ( -3.879 0.000 15.067) 15.558 16.594 ( 1.547 0.000 -11.282) 11.388 17.276 ( -5.526 0.000 8.425) 10.076 19.746 ( -0.638 0.000 -4.739) 4.782 19.767 ( -39.323 0.000 24.051) 46.094 19.987 ( 1.459 0.000 2.366) 2.779 ======================= Grid point 123 (39/312) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 15.289 0.000 47.572) 49.969 1.872 ( 32.291 0.000 22.067) 39.111 2.663 ( -0.306 0.000 10.586) 10.591 3.618 ( 67.385 0.000 31.767) 74.498 4.535 ( -19.142 0.000 20.175) 27.811 4.682 ( -10.454 0.000 -6.951) 12.554 6.694 ( 17.693 0.000 -9.328) 20.002 6.701 ( -4.187 0.000 -27.284) 27.603 6.981 ( -5.743 0.000 -7.179) 9.193 7.128 ( -0.871 0.000 2.675) 2.814 7.170 ( -4.224 0.000 -4.557) 6.213 7.868 ( -6.323 0.000 14.352) 15.683 8.056 ( 11.673 0.000 -3.961) 12.327 8.325 ( -1.838 0.000 9.679) 9.852 8.451 ( -3.805 0.000 4.782) 6.111 8.512 ( -2.092 0.000 -9.117) 9.354 9.279 ( 6.647 0.000 5.637) 8.715 9.713 ( -5.687 0.000 14.594) 15.663 9.744 ( -2.438 0.000 9.276) 9.591 9.977 ( 11.393 0.000 8.223) 14.050 10.047 ( -6.147 0.000 19.822) 20.753 11.158 ( -14.295 0.000 -17.985) 22.974 11.166 ( 13.618 0.000 7.116) 15.365 11.640 ( 1.337 0.000 -5.754) 5.908 12.135 ( -5.117 0.000 -5.436) 7.466 12.462 ( 3.162 0.000 -11.016) 11.461 12.810 ( -15.250 0.000 -10.480) 18.503 12.976 ( -1.154 0.000 10.245) 10.309 13.283 ( -13.302 0.000 -0.896) 13.332 13.314 ( -4.876 0.000 0.790) 4.940 16.302 ( 11.227 0.000 17.211) 20.549 16.585 ( 1.476 0.000 -11.271) 11.367 17.225 ( -2.014 0.000 1.683) 2.624 19.321 ( -16.761 0.000 9.503) 19.267 19.732 ( 0.593 0.000 -3.334) 3.386 19.999 ( -0.913 0.000 1.671) 1.904 ======================= Grid point 124 (40/312) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 16.120 0.000 45.299) 48.081 2.566 ( 31.630 0.000 18.220) 36.502 2.677 ( -1.403 0.000 8.644) 8.757 4.231 ( -18.825 0.000 19.985) 27.455 4.430 ( -13.421 0.000 -5.526) 14.514 5.041 ( 68.376 0.000 19.918) 71.218 6.514 ( -3.515 0.000 -31.219) 31.416 6.785 ( -10.567 0.000 -8.027) 13.270 6.967 ( 11.685 0.000 -9.755) 15.222 7.119 ( -1.740 0.000 6.276) 6.513 7.127 ( 1.329 0.000 0.282) 1.358 7.844 ( -0.064 0.000 6.996) 6.996 8.213 ( 1.053 0.000 5.596) 5.694 8.342 ( -4.473 0.000 -4.623) 6.432 8.369 ( 7.459 0.000 -5.380) 9.197 8.500 ( -0.490 0.000 1.741) 1.809 9.445 ( 7.004 0.000 7.636) 10.362 9.619 ( -11.433 0.000 7.294) 13.562 9.699 ( -4.852 0.000 6.468) 8.086 9.922 ( -12.746 0.000 15.215) 19.848 10.175 ( 1.635 0.000 15.665) 15.751 10.926 ( 3.022 0.000 -1.638) 3.438 11.430 ( 10.390 0.000 4.397) 11.282 11.678 ( 5.525 0.000 -6.572) 8.586 11.954 ( -12.727 0.000 -4.279) 13.427 12.460 ( -17.207 0.000 -10.808) 20.320 12.507 ( 4.853 0.000 -8.751) 10.007 12.917 ( -8.085 0.000 6.563) 10.413 13.031 ( -11.110 0.000 1.548) 11.218 13.248 ( -2.541 0.000 4.729) 5.368 16.576 ( 1.573 0.000 -11.211) 11.321 16.613 ( 13.044 0.000 16.633) 21.137 17.203 ( 0.302 0.000 -3.664) 3.677 19.089 ( -9.895 0.000 -0.129) 9.895 19.745 ( 1.728 0.000 -2.392) 2.950 19.965 ( -2.879 0.000 0.655) 2.953 ======================= Grid point 125 (41/312) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -3.181 0.000 17.969) 18.248 2.755 ( 12.723 0.000 32.808) 35.189 3.189 ( 25.144 0.000 15.860) 29.728 3.954 ( -15.706 0.000 20.644) 25.940 4.130 ( -15.115 0.000 -2.277) 15.285 6.323 ( 53.808 0.000 3.699) 53.935 6.392 ( 2.151 0.000 -29.715) 29.793 6.567 ( -8.337 0.000 -7.378) 11.133 7.041 ( 3.551 0.000 -0.474) 3.582 7.126 ( -0.849 0.000 10.372) 10.406 7.226 ( 7.281 0.000 -4.823) 8.734 7.899 ( 4.048 0.000 1.187) 4.219 8.126 ( -13.129 0.000 7.681) 15.211 8.276 ( -0.804 0.000 -1.322) 1.547 8.470 ( 2.455 0.000 -12.849) 13.081 8.490 ( -1.748 0.000 5.143) 5.432 9.236 ( -20.728 0.000 -3.206) 20.974 9.570 ( 3.038 0.000 6.274) 6.971 9.607 ( -5.810 0.000 1.788) 6.079 9.817 ( -4.760 0.000 19.471) 20.045 10.193 ( -4.112 0.000 22.779) 23.147 11.248 ( 22.777 0.000 5.606) 23.456 11.556 ( 2.481 0.000 0.072) 2.482 11.669 ( -11.667 0.000 -4.526) 12.514 11.837 ( 11.935 0.000 -5.558) 13.166 12.052 ( -21.394 0.000 -8.664) 23.082 12.580 ( 4.260 0.000 -4.764) 6.391 12.734 ( -10.957 0.000 2.620) 11.266 12.896 ( -3.924 0.000 2.974) 4.924 13.233 ( -1.719 0.000 7.977) 8.160 16.570 ( 1.747 0.000 -11.161) 11.296 16.851 ( 3.792 0.000 18.085) 18.478 17.235 ( 5.558 0.000 -6.605) 8.632 18.925 ( -5.946 0.000 -5.145) 7.862 19.777 ( 2.161 0.000 -2.539) 3.334 19.902 ( -3.408 0.000 -0.023) 3.408 ======================= Grid point 126 (42/312) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -7.212 0.000 11.834) 13.859 3.004 ( -3.196 0.000 38.373) 38.506 3.420 ( -12.751 0.000 6.815) 14.458 3.850 ( 0.269 0.000 22.529) 22.531 4.041 ( 12.079 0.000 8.688) 14.879 6.400 ( 5.604 0.000 -16.126) 17.072 6.433 ( -0.363 0.000 -16.349) 16.353 6.566 ( -18.616 0.000 -25.800) 31.815 7.150 ( -0.072 0.000 9.635) 9.635 7.279 ( 3.519 0.000 -5.700) 6.699 7.535 ( 16.679 0.000 17.053) 23.854 7.741 ( -15.972 0.000 1.031) 16.005 7.998 ( 6.035 0.000 -3.541) 6.997 8.319 ( 4.804 0.000 5.859) 7.576 8.464 ( -3.526 0.000 8.986) 9.653 8.523 ( 14.752 0.000 4.351) 15.380 8.986 ( -6.147 0.000 -13.345) 14.693 9.497 ( -5.233 0.000 -2.115) 5.644 9.600 ( -1.454 0.000 3.092) 3.417 9.779 ( -6.500 0.000 17.210) 18.397 10.192 ( -4.124 0.000 23.671) 24.028 11.458 ( -5.469 0.000 -1.633) 5.708 11.566 ( -0.793 0.000 -1.781) 1.949 11.576 ( -11.324 0.000 -4.003) 12.011 11.864 ( 22.649 0.000 3.902) 22.982 12.031 ( 7.368 0.000 -3.188) 8.028 12.484 ( -8.826 0.000 -3.556) 9.516 12.691 ( 3.376 0.000 0.899) 3.494 12.873 ( -0.100 0.000 3.499) 3.500 13.228 ( -1.569 0.000 8.184) 8.334 16.568 ( 1.967 0.000 -11.120) 11.292 16.873 ( -5.453 0.000 11.086) 12.354 17.355 ( 5.850 0.000 2.193) 6.247 18.837 ( -0.411 0.000 -7.667) 7.678 19.790 ( -0.505 0.000 -3.530) 3.566 19.859 ( -0.021 0.000 -0.288) 0.289 ======================= Grid point 127 (43/312) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -14.836 0.000 19.931) 24.846 2.926 ( -13.240 0.000 30.478) 33.229 2.976 ( -29.954 0.000 5.319) 30.422 4.094 ( 12.886 0.000 27.149) 30.052 4.418 ( 17.894 0.000 12.250) 21.685 5.745 ( -53.492 0.000 -19.713) 57.009 6.394 ( 2.236 0.000 -6.989) 7.338 6.530 ( 11.759 0.000 -20.501) 23.634 7.198 ( 2.582 0.000 5.852) 6.396 7.245 ( -5.162 0.000 -1.778) 5.460 7.367 ( -10.796 0.000 7.589) 13.196 7.766 ( -1.423 0.000 -11.083) 11.174 8.090 ( 5.025 0.000 -6.437) 8.166 8.409 ( -3.661 0.000 4.613) 5.889 8.502 ( 8.175 0.000 19.559) 21.199 8.734 ( -13.135 0.000 -9.130) 15.997 9.169 ( 34.797 0.000 6.627) 35.422 9.401 ( -3.604 0.000 -1.868) 4.059 9.550 ( -3.646 0.000 -0.436) 3.672 9.716 ( -2.853 0.000 12.171) 12.501 10.197 ( -3.422 0.000 22.288) 22.549 11.107 ( -16.828 0.000 -1.618) 16.906 11.510 ( -4.964 0.000 -1.797) 5.279 11.715 ( 15.840 0.000 0.083) 15.841 11.990 ( -10.314 0.000 1.832) 10.475 12.359 ( 23.528 0.000 4.686) 23.990 12.439 ( 6.523 0.000 -11.152) 12.920 12.746 ( 0.937 0.000 4.862) 4.952 12.904 ( 2.165 0.000 2.269) 3.136 13.234 ( -0.106 0.000 5.933) 5.934 16.571 ( 2.222 0.000 -11.059) 11.280 16.750 ( -9.778 0.000 5.855) 11.397 17.435 ( 0.018 0.000 10.828) 10.828 18.868 ( 6.059 0.000 -6.636) 8.986 19.757 ( -0.959 0.000 -2.366) 2.553 19.878 ( 1.598 0.000 -2.656) 3.100 ======================= Grid point 128 (44/312) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -23.269 0.000 35.817) 42.712 2.362 ( -35.208 0.000 8.690) 36.265 2.782 ( -9.966 0.000 19.337) 21.754 4.345 ( -25.481 0.000 10.547) 27.577 4.619 ( -27.881 0.000 11.617) 30.205 4.755 ( 12.449 0.000 10.696) 16.412 6.458 ( 7.140 0.000 -10.477) 12.679 6.700 ( 11.136 0.000 -13.489) 17.492 7.048 ( -14.834 0.000 -7.821) 16.770 7.224 ( -6.102 0.000 7.599) 9.746 7.291 ( 5.413 0.000 2.330) 5.893 7.688 ( -0.192 0.000 -15.911) 15.912 8.137 ( 1.533 0.000 -6.544) 6.721 8.346 ( -4.306 0.000 6.368) 7.687 8.398 ( -16.456 0.000 -8.800) 18.661 8.747 ( 9.537 0.000 18.789) 21.071 9.353 ( -2.068 0.000 3.872) 4.389 9.483 ( -1.759 0.000 -2.194) 2.812 9.546 ( 1.586 0.000 12.161) 12.264 9.871 ( 10.731 0.000 5.571) 12.091 10.168 ( -8.610 0.000 16.859) 18.930 11.026 ( 12.748 0.000 -0.109) 12.748 11.322 ( -14.367 0.000 -1.639) 14.461 11.804 ( -6.885 0.000 -0.151) 6.887 12.066 ( 18.276 0.000 5.015) 18.952 12.537 ( 5.704 0.000 -11.278) 12.638 12.758 ( 15.748 0.000 -2.928) 16.018 12.766 ( -0.599 0.000 7.337) 7.362 12.973 ( 4.933 0.000 1.482) 5.151 13.269 ( 2.169 0.000 2.818) 3.556 16.552 ( -11.814 0.000 4.762) 12.737 16.579 ( 2.435 0.000 -10.987) 11.254 17.443 ( -3.341 0.000 15.908) 16.255 19.023 ( 10.900 0.000 1.062) 10.952 19.750 ( 0.923 0.000 -1.062) 1.407 19.890 ( 0.796 0.000 -4.655) 4.722 ======================= Grid point 129 (45/312) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -37.298 0.000 14.664) 40.077 1.810 ( -26.411 0.000 49.597) 56.191 2.618 ( -18.307 0.000 6.841) 19.543 3.160 ( -59.767 0.000 9.426) 60.506 4.856 ( 11.739 0.000 35.946) 37.815 4.968 ( 6.430 0.000 7.219) 9.667 6.585 ( 9.675 0.000 -13.529) 16.632 6.680 ( -17.455 0.000 -10.869) 20.562 6.851 ( 7.993 0.000 -8.786) 11.877 7.160 ( -3.448 0.000 5.583) 6.561 7.415 ( 6.721 0.000 -0.199) 6.724 7.648 ( 1.052 0.000 -15.407) 15.443 8.081 ( -12.896 0.000 -5.761) 14.125 8.097 ( -3.068 0.000 -5.049) 5.908 8.295 ( -2.967 0.000 4.964) 5.783 8.976 ( 7.277 0.000 15.196) 16.848 9.315 ( -2.845 0.000 2.659) 3.894 9.503 ( 2.362 0.000 7.793) 8.143 9.577 ( -0.714 0.000 10.721) 10.745 9.925 ( -6.848 0.000 -0.647) 6.879 10.053 ( -5.419 0.000 24.672) 25.260 10.985 ( -17.468 0.000 -3.672) 17.849 11.436 ( 23.827 0.000 -11.431) 26.427 11.723 ( -2.083 0.000 -1.176) 2.392 12.436 ( 15.869 0.000 12.291) 20.072 12.565 ( 1.153 0.000 -9.321) 9.392 12.782 ( -0.323 0.000 6.971) 6.978 12.872 ( 1.932 0.000 -19.744) 19.838 13.142 ( 9.030 0.000 4.656) 10.160 13.334 ( 3.687 0.000 0.648) 3.743 16.365 ( -7.811 0.000 5.179) 9.372 16.590 ( 2.456 0.000 -10.972) 11.243 17.432 ( -3.535 0.000 18.987) 19.313 19.324 ( 18.305 0.000 20.421) 27.424 19.785 ( 2.704 0.000 0.485) 2.747 19.875 ( -0.362 0.000 -6.128) 6.139 ======================= Grid point 130 (46/312) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -32.459 0.000 26.788) 42.086 1.361 ( -46.661 0.000 25.977) 53.404 1.792 ( -41.441 0.000 48.925) 64.117 2.728 ( -7.541 0.000 18.068) 19.578 5.054 ( 0.764 0.000 2.534) 2.646 5.215 ( 11.528 0.000 35.529) 37.352 6.368 ( -9.618 0.000 -10.988) 14.603 6.722 ( 9.049 0.000 -15.736) 18.152 6.948 ( 4.815 0.000 -5.889) 7.607 7.115 ( -2.640 0.000 2.822) 3.864 7.519 ( 3.781 0.000 -6.927) 7.892 7.626 ( 2.398 0.000 -9.535) 9.832 7.903 ( -2.788 0.000 2.535) 3.768 8.027 ( -2.526 0.000 2.774) 3.752 8.266 ( -1.468 0.000 4.332) 4.574 9.063 ( -3.131 0.000 6.386) 7.112 9.297 ( -1.054 0.000 4.794) 4.909 9.584 ( 1.932 0.000 13.467) 13.605 9.618 ( 2.135 0.000 11.109) 11.312 9.772 ( -7.007 0.000 4.219) 8.179 10.061 ( -3.362 0.000 22.691) 22.938 10.702 ( -8.424 0.000 -3.745) 9.219 11.653 ( -1.241 0.000 -24.117) 24.149 11.692 ( -0.874 0.000 -2.089) 2.264 12.505 ( -10.869 0.000 -9.613) 14.510 12.539 ( -0.279 0.000 -9.058) 9.062 12.801 ( 0.072 0.000 7.547) 7.547 13.002 ( 19.111 0.000 0.132) 19.112 13.275 ( 3.208 0.000 0.692) 3.282 13.403 ( 2.932 0.000 -0.113) 2.934 16.325 ( 3.097 0.000 -5.539) 6.346 16.598 ( 2.214 0.000 -11.058) 11.277 17.438 ( -2.922 0.000 18.436) 18.666 19.832 ( -0.751 0.000 -4.761) 4.820 19.858 ( 3.122 0.000 -0.070) 3.122 20.008 ( 44.097 0.000 42.931) 61.544 ======================= Grid point 131 (47/312) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 4.831 31.788 23.987) 40.115 1.374 ( -2.152 33.882 33.370) 47.604 2.195 ( -2.455 54.600 52.543) 75.816 2.795 ( -3.065 12.243 12.606) 17.838 4.879 ( -5.373 -3.437 11.132) 12.829 5.432 ( -11.327 9.462 6.965) 16.320 6.174 ( 2.606 -9.627 -6.368) 11.833 6.754 ( 5.344 -6.107 -14.437) 16.561 7.024 ( 3.665 -0.310 -5.861) 6.920 7.193 ( 0.721 7.376 -2.787) 7.918 7.361 ( -3.923 -7.341 -14.742) 16.930 7.816 ( 5.308 6.841 -11.767) 14.609 7.884 ( 9.415 -13.832 12.168) 20.689 8.095 ( -3.558 2.883 17.078) 17.681 8.300 ( 0.033 0.684 2.625) 2.713 8.924 ( -8.064 -0.060 -1.018) 8.128 9.193 ( -3.584 -3.796 2.397) 5.745 9.606 ( -0.102 -1.113 12.298) 12.349 9.863 ( -0.534 12.600 5.729) 13.851 9.993 ( 1.398 20.920 11.586) 23.955 10.222 ( -2.353 13.294 17.161) 21.835 10.619 ( 4.532 -3.939 2.722) 6.593 11.261 ( -2.080 3.855 -0.004) 4.380 12.134 ( 3.300 12.698 -11.487) 17.438 12.293 ( -3.596 -3.552 -8.124) 9.568 12.401 ( -3.968 -7.473 -9.481) 12.708 12.823 ( 0.978 -1.298 8.650) 8.801 13.174 ( 0.383 -11.513 -5.947) 12.964 13.351 ( 0.377 5.229 1.592) 5.479 13.588 ( 4.605 8.136 -6.431) 11.347 16.148 ( 0.571 -13.316 -13.269) 18.808 16.734 ( 3.027 9.256 -13.462) 16.615 17.309 ( -6.814 -7.871 13.945) 17.402 19.246 ( -5.386 -25.600 19.272) 32.492 19.916 ( 2.218 4.538 -3.715) 6.270 21.067 ( -7.733 14.384 -26.744) 31.336 ======================= Grid point 132 (48/312) ======================= q-point: ( 0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 17.990 21.986 34.063) 44.354 1.605 ( 20.819 29.401 24.889) 43.787 2.707 ( 38.349 45.573 43.623) 73.828 2.793 ( -0.859 10.633 12.834) 16.689 4.753 ( -11.242 -0.541 10.851) 15.634 5.162 ( -15.381 16.218 1.429) 22.398 6.294 ( 11.120 -11.137 -4.788) 16.450 6.770 ( 1.605 -4.903 -17.542) 18.285 7.024 ( -2.593 -3.761 -1.958) 4.971 7.160 ( -3.431 -0.978 -5.529) 6.580 7.269 ( 0.015 0.546 -12.875) 12.887 7.832 ( 1.973 -1.117 -2.723) 3.543 8.002 ( -6.501 -8.294 11.622) 15.688 8.145 ( 7.851 0.926 10.252) 12.946 8.356 ( 1.596 -5.785 5.998) 8.484 8.744 ( -8.177 4.364 -5.025) 10.543 9.144 ( -0.760 -2.752 1.343) 3.155 9.642 ( -0.810 -3.626 11.359) 11.951 9.902 ( 2.943 14.198 7.175) 16.178 10.050 ( 0.193 20.286 12.756) 23.963 10.236 ( -2.202 14.728 16.520) 22.241 10.821 ( 12.105 -7.676 2.883) 14.620 11.231 ( -1.939 4.956 -1.041) 5.422 12.098 ( -3.544 14.606 -11.810) 19.115 12.181 ( -3.089 -0.311 -7.559) 8.171 12.358 ( 1.481 -10.799 -11.309) 15.706 12.872 ( 0.465 -3.302 7.266) 7.995 13.080 ( -6.917 -6.777 -5.365) 11.071 13.318 ( -4.424 0.933 2.070) 4.973 13.576 ( -4.301 4.789 -5.112) 8.220 16.137 ( 3.010 -5.486 -3.787) 7.314 16.747 ( 2.783 12.686 -11.240) 17.176 17.214 ( -6.482 -6.483 10.813) 14.176 19.139 ( -10.728 -23.559 15.766) 30.309 19.942 ( 1.207 3.831 -3.028) 5.030 20.517 ( -27.379 26.279 -10.941) 39.495 ======================= Grid point 133 (49/312) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( 14.436 15.592 40.586) 45.812 2.189 ( 26.389 24.414 19.591) 40.942 2.813 ( 0.351 15.167 8.888) 17.583 3.856 ( 60.915 24.874 31.039) 72.751 4.530 ( -15.382 1.825 12.570) 19.949 4.881 ( -13.536 16.890 -2.670) 21.808 6.535 ( 14.234 -13.581 -6.815) 20.821 6.682 ( -2.794 -2.612 -23.654) 23.961 6.903 ( -9.042 -8.829 -2.147) 12.819 7.070 ( -2.695 -6.091 -3.035) 7.320 7.253 ( 0.855 7.751 -7.158) 10.585 7.784 ( -5.665 -5.922 6.240) 10.300 8.017 ( 2.040 -11.205 6.981) 13.359 8.302 ( 5.373 6.459 6.642) 10.710 8.397 ( 3.950 -5.679 -0.514) 6.937 8.597 ( -5.530 6.910 -3.632) 9.566 9.188 ( 4.074 -5.208 3.391) 7.431 9.646 ( -2.540 -3.369 10.724) 11.524 9.928 ( -5.046 16.533 7.663) 18.908 10.165 ( 5.635 14.354 16.267) 22.414 10.245 ( -1.063 18.647 11.040) 21.696 10.957 ( -1.444 -10.951 -6.647) 12.892 11.233 ( 6.115 6.034 6.198) 10.593 11.935 ( -7.166 9.973 -6.848) 14.061 12.125 ( -2.814 4.938 -5.253) 7.740 12.366 ( 3.024 -9.500 -10.401) 14.408 12.813 ( -8.054 -0.363 -8.306) 11.575 12.954 ( -4.824 -3.489 8.010) 9.980 13.202 ( -8.239 -0.331 3.439) 8.934 13.413 ( -9.514 4.281 -2.139) 10.650 16.261 ( 9.522 -4.707 0.238) 10.624 16.775 ( 3.618 16.146 -6.800) 17.889 17.144 ( -3.637 -7.896 5.298) 10.180 18.976 ( -9.716 -21.926 8.541) 25.457 19.932 ( -0.965 5.909 -4.740) 7.637 20.131 ( -11.386 14.946 -2.579) 18.966 ======================= Grid point 134 (50/312) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 15.729 11.655 39.937) 44.477 2.679 ( 10.701 9.188 14.663) 20.345 2.941 ( 16.581 25.438 10.091) 31.998 4.251 ( -17.363 2.985 14.824) 23.025 4.594 ( -14.315 14.799 -2.698) 20.765 5.171 ( 61.883 13.602 20.832) 66.697 6.499 ( -3.043 -1.426 -30.036) 30.223 6.683 ( -11.377 -10.661 -4.587) 16.252 6.804 ( 12.430 -14.940 -4.809) 20.021 7.047 ( 0.363 -4.570 1.625) 4.864 7.241 ( -0.077 9.366 -3.596) 10.033 7.724 ( -2.020 -10.036 2.651) 10.575 8.042 ( -1.699 -12.400 6.420) 14.067 8.341 ( -2.710 -4.980 9.222) 10.826 8.483 ( -1.606 3.932 -5.838) 7.219 8.597 ( 11.854 14.196 -5.149) 19.197 9.288 ( 3.043 -10.276 5.040) 11.843 9.619 ( -3.441 -3.472 7.283) 8.771 9.744 ( -16.213 9.212 0.924) 18.671 10.163 ( -7.588 20.887 15.813) 27.274 10.314 ( -1.900 11.812 14.997) 19.185 10.976 ( 12.192 5.141 -0.043) 13.231 11.445 ( 11.144 -0.162 2.886) 11.512 11.823 ( -3.362 8.749 -2.447) 9.687 11.983 ( -9.739 5.684 -4.130) 12.009 12.392 ( 1.282 -6.515 -7.886) 10.309 12.596 ( -9.283 7.808 -9.625) 15.485 12.857 ( -8.453 -4.121 7.641) 12.117 13.037 ( -9.272 0.357 2.758) 9.680 13.269 ( -4.561 1.771 3.084) 5.784 16.447 ( 8.705 -6.105 -3.874) 11.316 16.853 ( 4.997 16.297 3.508) 17.403 17.107 ( -0.637 -9.847 -1.848) 10.039 18.828 ( -7.261 -20.863 1.551) 22.145 19.887 ( -1.197 8.348 -5.759) 10.212 19.981 ( -5.246 3.016 0.040) 6.052 ======================= Grid point 135 (51/312) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -3.162 8.847 14.504) 17.281 2.835 ( 12.997 8.783 32.055) 35.687 3.449 ( 24.415 23.539 14.405) 36.846 3.980 ( -14.823 3.461 15.863) 21.985 4.282 ( -16.469 14.097 0.626) 21.687 6.243 ( 26.671 -7.898 5.641) 28.382 6.403 ( 7.186 -0.619 -35.503) 36.228 6.505 ( 1.772 -6.128 3.215) 7.144 6.967 ( 5.333 -11.280 -6.964) 14.289 7.102 ( 6.146 1.601 1.281) 6.479 7.259 ( 5.028 6.510 3.391) 8.897 7.714 ( 0.434 -13.462 -1.479) 13.550 8.011 ( -3.060 -10.801 5.362) 12.441 8.301 ( -3.507 -3.112 7.642) 8.965 8.424 ( -3.910 2.816 1.029) 4.927 8.757 ( 2.472 18.221 -6.965) 19.662 9.175 ( -15.639 -7.750 1.460) 17.515 9.501 ( -3.090 -0.219 3.870) 4.957 9.568 ( -2.767 -2.563 -1.162) 3.947 10.087 ( -4.915 22.928 14.717) 27.685 10.307 ( -4.108 10.274 21.471) 24.154 11.368 ( 23.143 9.693 3.716) 25.365 11.597 ( -0.016 -3.869 -5.304) 6.565 11.718 ( -3.207 7.530 4.463) 9.322 11.872 ( 1.882 7.676 -6.984) 10.547 12.191 ( -16.842 12.625 -6.134) 21.924 12.523 ( 0.732 -5.818 -2.590) 6.410 12.712 ( -7.382 -0.948 3.784) 8.350 12.905 ( -4.069 0.851 1.753) 4.511 13.233 ( -1.932 0.008 7.499) 7.743 16.548 ( 4.371 -2.066 -9.434) 10.601 16.937 ( -1.456 6.723 13.289) 14.963 17.146 ( 7.154 -7.401 -5.742) 11.787 18.709 ( -4.566 -19.203 -3.276) 20.008 19.860 ( 0.264 6.120 -5.112) 7.979 19.896 ( -3.598 -0.281 -0.449) 3.636 ======================= Grid point 136 (52/312) ======================= q-point: (-0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -8.051 8.145 9.960) 15.178 3.079 ( -2.378 8.019 34.836) 35.826 3.665 ( -13.776 21.204 4.692) 25.718 3.894 ( 0.689 6.356 19.393) 20.419 4.187 ( 14.074 13.372 12.560) 23.123 6.290 ( -2.455 -12.867 -1.919) 13.239 6.378 ( 5.698 -4.179 -26.807) 27.723 6.522 ( -17.946 -6.113 -19.345) 27.086 6.998 ( 0.694 -10.973 -0.689) 11.016 7.212 ( 4.361 -2.561 -6.198) 8.000 7.579 ( 11.851 -3.287 2.701) 12.592 7.673 ( -8.370 -4.204 4.748) 10.501 8.053 ( 7.978 3.168 5.437) 10.161 8.236 ( -3.577 -2.655 10.141) 11.076 8.409 ( 2.520 -1.558 8.959) 9.436 8.714 ( 6.548 13.783 7.613) 17.053 9.026 ( -2.340 -0.959 -8.970) 9.320 9.469 ( -3.156 -1.822 2.282) 4.300 9.514 ( -1.903 0.047 -5.058) 5.404 10.051 ( -4.400 21.333 12.713) 25.221 10.301 ( -4.222 10.171 21.905) 24.518 11.483 ( -0.450 2.243 -3.950) 4.564 11.629 ( -14.681 7.408 -2.583) 16.646 11.753 ( -0.853 6.351 -1.861) 6.673 11.934 ( 17.901 11.364 2.741) 21.379 12.043 ( 6.050 3.916 -1.191) 7.305 12.426 ( -7.218 -5.740 -1.829) 9.402 12.692 ( 2.771 0.557 2.357) 3.680 12.885 ( 0.337 1.652 3.269) 3.678 13.228 ( -1.393 -0.160 7.969) 8.091 16.568 ( 1.474 -0.366 -10.956) 11.061 16.897 ( -4.932 0.764 5.769) 7.628 17.292 ( 6.133 -4.423 5.503) 9.352 18.641 ( -0.453 -17.988 -5.809) 18.908 19.837 ( -1.010 1.838 -3.455) 4.042 19.865 ( 1.000 2.209 -2.952) 3.821 ======================= Grid point 137 (53/312) ======================= q-point: (-0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( -15.952 6.480 14.767) 22.683 3.002 ( -14.623 8.307 29.333) 33.812 3.262 ( -23.836 24.438 4.784) 34.471 4.111 ( 11.987 3.066 22.738) 25.886 4.605 ( 18.656 16.871 15.795) 29.701 5.748 ( -48.985 0.365 -17.204) 51.920 6.276 ( 2.784 -11.777 -6.781) 13.872 6.471 ( 9.173 -6.096 -20.832) 23.564 6.978 ( -2.880 -15.713 -2.493) 16.168 7.252 ( 1.807 0.072 -3.658) 4.081 7.496 ( -9.288 7.572 11.070) 16.314 7.619 ( -0.808 -11.590 -11.114) 16.077 8.089 ( 0.027 0.574 0.274) 0.637 8.302 ( -4.664 -11.296 19.498) 23.012 8.501 ( 8.219 4.017 1.511) 9.272 8.884 ( -7.530 6.744 -4.676) 11.138 9.250 ( 25.099 6.336 11.204) 28.207 9.418 ( 1.774 3.422 -5.943) 7.083 9.464 ( 1.326 0.088 2.094) 2.480 9.997 ( -4.318 22.036 9.018) 24.198 10.296 ( -3.607 9.100 20.143) 22.396 11.233 ( -18.192 11.207 -2.927) 21.566 11.532 ( 1.836 0.955 -4.287) 4.760 11.750 ( -0.843 0.658 3.327) 3.495 12.005 ( -1.439 3.146 0.494) 3.494 12.316 ( 8.240 -6.130 -4.982) 11.415 12.489 ( 18.687 7.623 -0.098) 20.182 12.755 ( 1.653 1.098 5.724) 6.058 12.923 ( 2.179 2.380 3.405) 4.691 13.237 ( 0.153 0.100 5.530) 5.533 16.530 ( -2.116 -3.428 -9.149) 9.996 16.809 ( -4.310 3.074 -1.699) 5.560 17.389 ( 0.302 -2.996 13.645) 13.973 18.664 ( 4.756 -18.040 -4.384) 19.165 19.836 ( 2.423 5.293 -3.608) 6.849 19.880 ( 1.612 0.961 -4.119) 4.526 ======================= Grid point 138 (54/312) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -22.778 7.208 22.073) 32.528 2.650 ( -29.286 17.570 20.338) 39.749 2.967 ( -9.767 20.603 12.864) 26.179 4.394 ( -4.263 4.578 16.870) 17.992 4.597 ( -40.496 3.935 -3.201) 40.813 5.027 ( 9.029 21.754 17.289) 29.218 6.352 ( 7.800 -10.436 -10.227) 16.563 6.553 ( 2.958 -15.951 -13.529) 21.123 6.864 ( -5.440 -11.343 -5.743) 13.829 7.264 ( 0.362 5.720 -3.985) 6.980 7.422 ( -1.355 4.446 8.369) 9.573 7.569 ( 0.578 -8.160 -12.399) 14.854 8.105 ( 0.921 -3.293 -1.233) 3.635 8.194 ( -9.621 -8.787 5.764) 14.248 8.593 ( -4.365 10.663 -3.971) 12.187 8.810 ( 4.396 6.084 12.861) 14.891 9.285 ( -4.586 -4.897 2.919) 7.316 9.415 ( 0.018 1.150 3.401) 3.590 9.843 ( 8.308 20.486 8.265) 23.601 10.004 ( 6.222 13.722 3.827) 15.545 10.270 ( -6.920 9.249 15.123) 19.029 11.042 ( 2.013 3.073 0.953) 3.796 11.368 ( -16.424 1.794 -0.551) 16.531 11.755 ( 2.487 -5.123 -3.113) 6.490 12.145 ( 13.488 6.154 3.834) 15.313 12.406 ( 4.178 -10.911 -8.441) 14.414 12.788 ( 0.358 2.078 7.378) 7.674 12.855 ( 14.447 7.607 -3.502) 16.699 12.994 ( 4.913 2.567 5.600) 7.880 13.277 ( 2.881 0.972 1.163) 3.255 16.417 ( -6.668 -7.234 -5.766) 11.404 16.740 ( -0.843 6.862 -8.414) 10.890 17.405 ( -3.628 -2.390 17.867) 18.388 18.792 ( 8.433 -18.181 2.994) 20.264 19.892 ( 1.597 2.920 -5.426) 6.365 19.923 ( 7.930 10.184 -3.104) 13.275 ======================= Grid point 139 (55/312) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -24.379 14.030 24.757) 37.471 2.127 ( -32.186 20.303 24.813) 45.429 2.857 ( -7.291 21.325 10.927) 25.046 3.345 ( -59.505 22.168 6.290) 63.811 4.722 ( 7.733 -3.414 20.520) 22.193 5.286 ( 8.786 20.832 18.087) 28.954 6.421 ( -9.176 -21.433 -9.646) 25.231 6.499 ( 10.137 -8.116 -12.638) 18.120 6.840 ( 4.338 -2.705 -6.290) 8.105 7.234 ( -1.565 7.267 -4.012) 8.447 7.483 ( 4.939 -2.636 -1.655) 5.838 7.553 ( 0.576 -1.938 -6.446) 6.756 7.998 ( -9.664 -5.359 1.757) 11.190 8.096 ( -1.649 -1.213 -3.241) 3.834 8.463 ( -5.896 13.635 -0.439) 14.862 8.983 ( 5.643 1.695 12.807) 14.098 9.215 ( -3.229 -7.671 2.458) 8.679 9.471 ( 2.561 1.155 12.243) 12.561 9.871 ( -2.145 23.379 6.663) 24.404 10.075 ( -5.206 13.807 -1.819) 14.867 10.183 ( -2.900 11.576 21.309) 24.423 10.999 ( -18.284 0.226 -3.358) 18.591 11.221 ( 9.206 -10.153 -0.534) 13.715 11.850 ( 9.137 1.739 -5.994) 11.065 12.414 ( 1.086 -10.221 -3.311) 10.799 12.446 ( 11.699 -2.717 1.853) 12.152 12.802 ( -1.176 2.252 6.506) 6.985 12.974 ( 4.497 4.230 -8.815) 10.762 13.188 ( 9.018 5.148 3.980) 11.121 13.358 ( 5.749 3.752 -2.033) 7.160 16.265 ( -5.986 -8.757 -5.651) 12.019 16.716 ( 1.699 7.684 -11.556) 13.981 17.386 ( -4.479 -3.841 19.043) 19.936 18.996 ( 8.939 -19.375 14.456) 25.773 19.895 ( 0.965 3.013 -6.133) 6.901 20.170 ( 19.756 22.361 -1.078) 29.858 ======================= Grid point 140 (56/312) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -24.937 26.407 17.243) 40.206 1.545 ( -32.663 17.849 30.100) 47.869 2.395 ( -34.033 53.608 32.187) 71.190 2.830 ( -5.822 11.167 14.902) 19.511 4.875 ( 1.361 -4.823 15.560) 16.347 5.469 ( 3.011 12.981 15.276) 20.271 6.231 ( -5.570 -13.595 -7.824) 16.646 6.656 ( 9.786 -6.217 -14.629) 18.667 6.933 ( 6.612 -1.308 -4.843) 8.300 7.195 ( -0.341 7.670 -5.207) 9.277 7.494 ( -4.360 -3.798 -9.386) 11.025 7.590 ( 8.440 -4.640 -2.936) 10.069 7.897 ( -2.629 1.002 3.256) 4.303 8.056 ( -0.726 2.216 5.384) 5.867 8.362 ( -4.770 7.889 -0.119) 9.220 9.035 ( -3.913 -0.899 6.218) 7.401 9.209 ( 0.863 -6.755 3.737) 7.768 9.560 ( 0.631 0.307 16.338) 16.353 9.856 ( -1.291 19.967 6.598) 21.068 9.969 ( -3.208 16.905 4.600) 17.811 10.213 ( -2.491 13.444 18.830) 23.271 10.688 ( -10.808 -2.250 -3.193) 11.493 11.302 ( -0.094 -7.257 -1.855) 7.491 12.030 ( 10.320 3.396 -8.881) 14.032 12.368 ( -1.906 -10.797 -8.230) 13.709 12.548 ( -4.206 -2.525 -2.250) 5.397 12.793 ( -0.884 1.189 6.540) 6.706 13.087 ( 9.238 -2.329 -6.399) 11.476 13.309 ( 3.385 5.774 0.791) 6.740 13.481 ( 7.248 8.293 -3.479) 11.550 16.177 ( -0.208 -12.658 -10.789) 16.633 16.720 ( 2.889 7.883 -13.063) 15.529 17.363 ( -4.505 -6.957 17.267) 19.153 19.193 ( 3.757 -23.903 20.766) 31.886 19.895 ( 1.409 4.570 -5.566) 7.338 20.725 ( 35.992 25.348 -5.404) 44.352 ======================= Grid point 141 (57/312) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 5.385 37.028 16.532) 40.907 1.997 ( -2.445 32.206 29.883) 44.002 2.962 ( -3.031 18.318 20.372) 27.563 3.565 ( 1.432 63.898 13.376) 65.298 4.887 ( -3.167 2.892 8.453) 9.479 5.601 ( -3.930 3.742 8.465) 10.055 5.912 ( -0.069 -12.427 -0.537) 12.439 6.586 ( 5.297 -10.656 -14.019) 18.389 6.962 ( -0.981 -7.080 -2.821) 7.684 7.245 ( -5.674 -1.719 -10.753) 12.279 7.373 ( 1.399 7.783 -15.400) 17.312 7.580 ( 5.407 -15.640 11.070) 19.910 7.901 ( 2.949 2.508 -10.543) 11.231 8.223 ( -0.220 6.366 20.298) 21.274 8.395 ( -6.702 14.159 -1.377) 15.725 9.000 ( -5.666 8.072 0.276) 9.866 9.133 ( -0.285 -2.079 0.317) 2.123 9.618 ( -3.028 2.061 13.102) 13.604 10.106 ( 0.932 4.329 4.468) 6.290 10.361 ( 4.116 13.148 4.796) 14.588 10.508 ( -2.452 16.514 11.436) 20.236 10.724 ( 1.378 19.210 7.754) 20.762 11.347 ( 2.056 4.358 1.752) 5.127 11.960 ( 3.226 -19.436 -7.824) 21.199 12.084 ( -3.647 -15.904 -3.377) 16.663 12.423 ( -2.226 0.713 2.069) 3.121 12.797 ( -1.301 -3.362 0.246) 3.613 12.949 ( -1.571 -6.626 6.337) 9.302 13.515 ( -1.139 10.957 1.138) 11.075 13.676 ( 1.127 1.260 -2.669) 3.160 15.837 ( 3.426 -17.951 -11.233) 21.451 16.775 ( 2.728 -11.496 -5.255) 12.931 17.208 ( -3.785 3.945 5.842) 8.001 18.899 ( -2.702 -13.547 7.444) 15.692 20.047 ( 2.046 8.493 -6.852) 11.102 21.154 ( -1.711 -2.002 -21.726) 21.885 ======================= Grid point 142 (58/312) ======================= q-point: ( 0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 7.394 30.371 28.404) 42.235 2.180 ( 22.152 30.318 19.294) 42.216 3.042 ( 4.018 15.893 15.532) 22.582 3.825 ( 21.299 60.504 20.778) 67.425 4.799 ( -8.814 4.392 8.272) 12.861 5.496 ( -9.072 18.241 1.150) 20.405 5.988 ( 8.133 -19.802 2.743) 21.582 6.619 ( 3.196 -10.806 -15.041) 18.794 6.863 ( -8.269 -12.048 2.032) 14.753 7.079 ( -7.836 -3.152 -13.087) 15.576 7.359 ( 2.250 3.479 -13.344) 13.972 7.662 ( 1.707 -16.517 9.388) 19.075 7.879 ( -3.072 3.759 -8.700) 9.963 8.223 ( -4.868 -3.776 7.997) 10.095 8.426 ( 8.255 19.315 6.057) 21.861 8.856 ( -7.892 6.810 -2.176) 10.649 9.137 ( 0.860 2.352 0.469) 2.548 9.612 ( -1.209 0.188 9.667) 9.744 10.226 ( 7.583 13.930 7.359) 17.485 10.433 ( -3.487 14.278 11.541) 18.687 10.527 ( 4.269 8.798 5.570) 11.254 10.799 ( 2.787 16.179 7.094) 17.885 11.377 ( -0.456 7.543 5.210) 9.178 11.896 ( -5.401 -15.949 -4.937) 17.548 12.052 ( 3.148 -19.698 -8.677) 21.753 12.395 ( -2.170 4.320 0.961) 4.929 12.777 ( -0.631 -7.411 -2.494) 7.845 12.929 ( -2.968 -2.882 8.854) 9.773 13.454 ( -5.164 11.007 0.405) 12.165 13.625 ( -5.571 0.544 -1.740) 5.862 15.923 ( 8.701 -15.416 -9.236) 19.966 16.806 ( 1.916 -14.482 -3.550) 15.033 17.170 ( -1.567 8.971 3.184) 9.647 18.807 ( -8.738 -12.671 6.048) 16.537 20.048 ( 0.314 7.114 -6.041) 9.338 20.823 ( -20.655 6.919 -17.916) 28.204 ======================= Grid point 143 (59/312) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 10.731 24.969 31.910) 41.915 2.652 ( 17.457 22.591 14.113) 31.847 3.204 ( 9.144 23.112 8.451) 26.253 4.523 ( 36.264 37.105 23.543) 56.975 4.614 ( -9.964 8.017 9.500) 15.931 5.292 ( -9.979 25.270 -2.993) 27.334 6.206 ( 11.641 -19.636 3.123) 23.040 6.591 ( -0.633 -10.254 -21.638) 23.954 6.671 ( -12.013 -10.591 6.136) 17.150 6.909 ( -3.466 -9.036 -9.157) 13.323 7.369 ( 3.001 0.697 -11.029) 11.451 7.684 ( -4.021 -8.707 0.862) 9.629 7.803 ( -0.739 -2.119 1.741) 2.840 8.160 ( -2.626 -9.183 5.979) 11.268 8.639 ( 10.210 18.674 1.418) 21.330 8.702 ( -6.096 3.813 -2.939) 7.767 9.166 ( 1.642 3.294 0.559) 3.723 9.613 ( -2.301 -0.226 7.348) 7.703 10.267 ( -10.114 13.722 0.498) 17.054 10.452 ( 3.842 13.682 16.707) 21.933 10.654 ( 5.901 13.394 5.826) 15.753 10.849 ( 1.485 8.846 2.810) 9.399 11.382 ( 0.508 8.289 7.140) 10.951 11.841 ( 0.555 -10.599 0.046) 10.613 12.105 ( 4.893 -15.606 -6.399) 17.562 12.314 ( -6.268 3.810 -1.572) 7.501 12.752 ( -0.864 -3.516 -2.683) 4.507 12.901 ( -3.227 -0.344 9.363) 9.910 13.323 ( -8.789 12.118 0.916) 14.998 13.463 ( -9.675 0.936 -0.993) 9.771 16.097 ( 11.712 -12.604 -7.834) 18.905 16.821 ( 0.487 -18.016 -1.319) 18.071 17.170 ( 0.838 14.921 0.155) 14.945 18.624 ( -11.184 -13.778 3.908) 18.171 20.018 ( -1.376 4.783 -5.675) 7.548 20.390 ( -17.044 9.666 -10.536) 22.247 ======================= Grid point 144 (60/312) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( 13.597 20.680 31.569) 40.115 2.915 ( 5.504 14.803 11.107) 19.308 3.503 ( 19.225 29.413 8.026) 36.044 4.350 ( -16.020 6.701 11.175) 20.650 4.933 ( -10.869 18.390 -2.928) 21.562 5.548 ( 37.293 22.003 18.441) 47.063 6.322 ( -5.313 -22.311 4.082) 23.295 6.470 ( -1.105 -3.823 -31.667) 31.916 6.562 ( 4.488 -8.503 3.076) 10.095 6.924 ( 6.753 -7.406 2.023) 10.225 7.399 ( 3.572 -1.108 -8.612) 9.389 7.565 ( -5.699 -0.144 -7.169) 9.160 7.801 ( -2.084 -10.982 5.839) 12.612 8.169 ( -0.594 -9.015 12.032) 15.046 8.565 ( -4.730 3.912 -4.254) 7.468 8.846 ( 8.855 8.374 -3.017) 12.556 9.198 ( 1.726 3.660 -0.225) 4.052 9.568 ( -3.654 -2.265 2.139) 4.802 9.955 ( -20.241 11.172 -1.324) 23.157 10.530 ( -1.689 11.714 18.578) 22.027 10.684 ( -5.086 26.319 11.496) 29.167 11.046 ( 17.980 1.080 -2.297) 18.159 11.471 ( 6.197 3.878 2.836) 7.841 11.861 ( -1.655 -1.161 7.158) 7.438 12.142 ( -4.403 0.983 -3.305) 5.592 12.222 ( 3.862 -7.025 -2.286) 8.336 12.721 ( -2.586 3.908 -0.420) 4.705 12.848 ( -5.195 2.985 4.171) 7.301 13.110 ( -12.626 10.831 2.136) 16.772 13.305 ( -5.930 2.099 2.331) 6.708 16.303 ( 11.716 -10.094 -7.698) 17.275 16.817 ( -0.723 -19.660 0.091) 19.673 17.198 ( 2.002 17.263 -0.798) 17.397 18.430 ( -9.068 -17.761 0.980) 19.966 19.961 ( -2.418 2.301 -5.319) 6.279 20.106 ( -9.517 6.612 -6.747) 13.409 ======================= Grid point 145 (61/312) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -2.096 14.982 8.905) 17.555 3.098 ( 12.014 17.672 29.020) 36.039 3.967 ( 23.902 26.898 11.085) 37.652 4.090 ( -13.602 7.409 12.650) 19.999 4.626 ( -17.951 19.786 -1.240) 26.744 5.995 ( -0.178 -18.211 3.226) 18.495 6.285 ( 1.080 -9.469 -3.556) 10.172 6.403 ( 6.856 -4.497 -20.040) 21.653 6.696 ( 5.474 -13.760 -2.670) 15.047 7.239 ( 21.468 7.285 7.350) 23.832 7.421 ( -5.506 2.594 -13.818) 15.099 7.458 ( 5.192 -4.698 -2.641) 7.484 7.782 ( 0.126 -11.303 5.747) 12.681 8.202 ( 0.896 -3.309 13.871) 14.289 8.494 ( -1.676 3.357 -2.634) 4.585 8.927 ( 0.260 -6.286 -2.317) 6.705 9.188 ( -8.045 16.102 5.615) 18.855 9.504 ( -0.659 -4.639 -8.547) 9.747 9.602 ( -10.854 9.259 2.346) 14.459 10.530 ( -4.623 12.903 17.898) 22.543 10.632 ( -3.883 28.607 13.337) 31.801 11.383 ( 13.907 -7.918 -2.556) 16.206 11.611 ( 7.702 2.524 -0.912) 8.156 11.793 ( -4.772 4.189 3.800) 7.400 12.081 ( -0.694 7.167 -1.634) 7.383 12.313 ( 2.430 -8.713 4.741) 10.213 12.585 ( -10.860 19.630 -4.683) 22.918 12.740 ( -4.905 5.272 3.205) 7.881 12.957 ( -3.129 6.790 4.787) 8.877 13.240 ( -2.895 1.297 6.481) 7.216 16.472 ( 7.888 -7.106 -9.155) 14.019 16.794 ( -1.610 -18.942 0.016) 19.011 17.245 ( 2.908 14.325 2.475) 14.825 18.293 ( -4.766 -21.048 -2.208) 21.694 19.888 ( -3.250 0.260 -3.768) 4.983 19.969 ( -2.625 4.142 -7.014) 8.558 ======================= Grid point 146 (62/312) ======================= q-point: (-0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -8.195 15.341 6.596) 18.602 3.322 ( -1.355 16.742 28.320) 32.927 3.965 ( -2.280 9.651 11.492) 15.179 4.229 ( -16.592 23.474 4.370) 29.077 4.516 ( 22.161 19.740 14.591) 33.071 5.934 ( -2.319 -22.395 -1.082) 22.541 6.222 ( -7.221 -10.827 -8.425) 15.503 6.383 ( -2.560 -6.670 -24.097) 25.133 6.739 ( 0.321 -14.984 -4.071) 15.531 7.286 ( -2.139 4.153 -14.175) 14.925 7.426 ( 0.383 -6.402 -6.300) 8.991 7.550 ( 0.955 -8.161 1.339) 8.325 7.957 ( 6.808 -10.839 19.780) 23.560 8.386 ( 8.718 14.457 5.045) 17.620 8.450 ( -2.199 6.659 5.447) 8.880 8.883 ( -0.472 -6.716 1.729) 6.951 9.044 ( 0.529 15.341 15.420) 21.758 9.487 ( 0.242 1.337 -8.049) 8.163 9.560 ( 2.635 4.145 -4.974) 6.990 10.489 ( -4.914 15.793 15.644) 22.766 10.607 ( -3.990 25.725 13.214) 29.194 11.464 ( -1.026 -5.793 -1.012) 5.969 11.687 ( -3.220 -4.003 -2.662) 5.786 11.827 ( 3.079 5.345 -0.529) 6.191 12.042 ( -1.936 3.058 -1.153) 3.799 12.226 ( -8.501 -6.926 -0.533) 10.979 12.522 ( 7.240 29.797 1.349) 30.694 12.726 ( 1.734 3.053 4.602) 5.789 12.968 ( 1.024 8.027 6.820) 10.583 13.223 ( -1.499 0.172 7.549) 7.698 16.521 ( 0.343 -6.164 -10.697) 12.350 16.757 ( -1.628 -16.030 -1.962) 16.232 17.335 ( 4.194 9.778 8.430) 13.575 18.233 ( -0.083 -21.628 -4.240) 22.040 19.840 ( 0.126 0.074 -3.508) 3.511 19.931 ( 0.893 2.809 -7.699) 8.244 ======================= Grid point 147 (63/312) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( -14.085 16.297 8.729) 23.242 3.245 ( -13.891 16.290 24.401) 32.461 3.771 ( -18.663 25.286 1.592) 31.468 4.221 ( 9.676 7.411 18.939) 22.521 4.987 ( 17.513 20.065 15.118) 30.625 5.765 ( -30.576 1.204 -9.961) 32.180 5.947 ( 3.285 -21.225 -6.366) 22.401 6.306 ( 0.634 -9.783 -21.222) 23.377 6.698 ( -2.074 -12.530 -4.402) 13.441 7.264 ( 2.666 1.535 -5.732) 6.506 7.355 ( -2.705 -13.166 -8.521) 15.915 7.572 ( 1.585 -2.099 -4.247) 4.995 8.037 ( -4.562 -13.475 20.218) 24.722 8.265 ( -10.152 18.218 13.350) 24.763 8.587 ( 8.006 4.189 1.679) 9.191 8.872 ( -1.098 -5.559 -1.143) 5.780 9.362 ( 4.321 4.986 5.073) 8.322 9.552 ( -0.639 8.061 -3.170) 8.685 9.608 ( 24.408 12.438 5.485) 27.938 10.454 ( -4.073 16.246 14.599) 22.218 10.561 ( -4.463 23.788 9.582) 26.031 11.401 ( -11.460 0.346 -4.105) 12.178 11.536 ( -0.905 0.141 -5.102) 5.184 11.675 ( -15.431 -6.092 3.959) 17.056 12.098 ( 5.378 3.141 -0.123) 6.229 12.165 ( 1.342 -5.896 -2.653) 6.604 12.746 ( 10.637 13.309 1.344) 17.090 12.815 ( 7.250 10.190 5.675) 13.733 13.016 ( 0.572 7.356 9.453) 11.991 13.239 ( 1.380 1.014 5.070) 5.351 16.422 ( -6.230 -9.226 -10.403) 15.237 16.726 ( -0.322 -12.866 -5.077) 13.835 17.428 ( 0.829 7.691 11.442) 13.812 18.277 ( 6.222 -19.347 -2.208) 20.442 19.873 ( 4.151 0.980 -4.584) 6.261 19.954 ( 4.962 3.929 -7.826) 10.065 ======================= Grid point 148 (64/312) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( -16.486 20.202 13.520) 29.372 2.968 ( -22.291 17.214 18.156) 33.509 3.458 ( -14.197 25.072 6.672) 29.575 4.495 ( 10.450 5.647 17.901) 21.483 4.818 ( -37.795 17.181 -9.477) 42.585 5.516 ( 8.561 25.159 17.186) 31.648 6.032 ( 4.869 -22.971 -10.001) 25.523 6.214 ( -1.847 -12.924 -10.331) 16.649 6.674 ( 1.908 -9.518 -4.959) 10.901 7.275 ( -0.306 -11.839 -6.102) 13.323 7.352 ( 5.941 1.235 -9.598) 11.355 7.569 ( -0.496 0.108 -2.299) 2.354 7.979 ( -5.826 -10.484 11.290) 16.472 8.152 ( -6.179 10.606 10.517) 16.164 8.742 ( 4.638 4.306 2.399) 6.768 8.894 ( 4.657 0.905 3.448) 5.865 9.282 ( -8.257 5.675 -0.295) 10.024 9.524 ( -0.794 8.967 3.728) 9.744 10.166 ( 21.984 13.183 7.271) 26.645 10.420 ( -4.601 18.603 12.266) 22.753 10.503 ( -4.547 19.412 5.714) 20.740 11.127 ( -10.190 3.535 0.092) 10.786 11.346 ( -17.648 -3.619 -0.277) 18.018 11.607 ( 6.410 -9.765 -4.777) 12.620 12.181 ( 1.457 -10.068 -2.140) 10.395 12.227 ( 6.706 1.563 1.287) 7.005 12.840 ( 0.760 3.465 8.446) 9.161 12.983 ( 0.818 3.967 2.414) 4.715 13.126 ( 11.337 12.319 7.150) 18.204 13.319 ( 5.742 4.185 0.755) 7.145 16.234 ( -8.913 -12.872 -10.887) 19.069 16.711 ( 0.885 -11.147 -6.631) 13.000 17.429 ( -4.225 5.159 10.348) 12.311 18.455 ( 11.055 -14.780 3.757) 18.836 19.931 ( 3.779 2.743 -7.047) 8.454 20.118 ( 14.835 7.537 -6.361) 17.814 ======================= Grid point 149 (65/312) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -14.704 26.294 18.770) 35.495 2.513 ( -29.516 20.769 11.196) 37.787 3.239 ( -12.830 17.413 12.003) 24.737 4.057 ( -32.934 44.447 0.330) 55.320 4.731 ( 7.145 3.301 14.825) 16.785 5.698 ( 1.025 17.677 14.452) 22.856 5.948 ( -4.391 -24.574 -6.273) 25.739 6.323 ( 12.092 -7.133 -9.475) 16.937 6.743 ( 6.664 -6.721 -2.471) 9.782 7.270 ( 2.717 -11.160 -7.712) 13.835 7.417 ( 3.203 7.268 -13.461) 15.630 7.552 ( -1.747 -4.175 0.992) 4.633 7.896 ( -4.320 -5.624 6.737) 9.781 8.108 ( -1.713 6.801 8.521) 11.036 8.757 ( -3.121 14.093 -0.960) 14.466 9.034 ( 6.123 1.247 1.411) 6.406 9.121 ( -7.282 2.037 6.491) 9.965 9.547 ( 0.391 6.290 10.458) 12.210 10.342 ( -7.216 16.955 8.980) 20.499 10.391 ( -2.749 18.498 -5.492) 19.491 10.449 ( 1.475 15.608 14.513) 21.364 10.944 ( -15.052 -3.126 3.965) 15.876 11.171 ( 4.720 3.129 -3.048) 6.431 11.731 ( 7.945 -12.896 -4.003) 15.667 12.173 ( -1.254 -11.756 -1.884) 11.972 12.373 ( 6.508 -5.557 1.845) 8.754 12.858 ( -1.582 3.440 7.405) 8.317 12.965 ( -2.418 -2.310 5.439) 6.385 13.358 ( 8.930 11.805 3.280) 15.162 13.457 ( 8.541 4.914 -2.254) 10.108 16.026 ( -7.890 -15.880 -11.931) 21.372 16.716 ( 1.992 -10.303 -6.776) 12.491 17.358 ( -5.923 3.007 8.834) 11.053 18.688 ( 9.839 -12.828 7.870) 17.980 19.978 ( 3.699 5.538 -7.868) 10.308 20.485 ( 25.047 9.656 -6.924) 27.722 ======================= Grid point 150 (66/312) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -25.908 29.633 7.575) 40.084 2.024 ( -10.619 30.430 27.125) 42.125 3.041 ( -11.479 16.121 17.850) 26.651 3.635 ( -12.876 61.090 9.048) 63.084 4.865 ( 2.066 2.380 11.211) 11.646 5.655 ( -5.404 -1.719 7.569) 9.457 5.923 ( -0.097 -9.227 1.502) 9.349 6.497 ( 8.981 -9.110 -13.020) 18.253 6.897 ( 8.135 -2.681 -2.863) 9.031 7.351 ( 6.778 -1.773 -4.535) 8.346 7.385 ( -2.522 -2.173 -7.534) 8.237 7.465 ( -2.506 -2.289 -8.280) 8.948 7.894 ( 0.348 -2.480 2.538) 3.565 8.140 ( 1.435 7.841 13.408) 15.599 8.600 ( -11.044 17.320 -3.162) 20.784 9.053 ( -1.490 -0.416 3.918) 4.212 9.127 ( 1.333 1.862 1.987) 3.032 9.598 ( -0.201 3.352 16.181) 16.526 10.195 ( -9.289 5.590 2.452) 11.115 10.319 ( -1.201 18.228 0.787) 18.285 10.503 ( -1.107 15.226 12.729) 19.877 10.735 ( -5.961 12.445 4.327) 14.461 11.281 ( 4.925 2.825 -0.831) 5.738 11.874 ( 7.505 -17.465 -5.001) 19.656 12.136 ( -1.596 -12.169 -1.700) 12.390 12.450 ( 0.271 -6.931 2.105) 7.249 12.832 ( -2.734 1.460 3.561) 4.721 12.950 ( -1.010 -5.962 5.561) 8.215 13.486 ( 3.596 11.507 2.230) 12.260 13.606 ( 6.772 3.203 -3.114) 8.113 15.873 ( -3.021 -17.948 -12.295) 21.964 16.740 ( 2.694 -10.274 -6.235) 12.316 17.274 ( -5.324 2.259 7.557) 9.516 18.857 ( 4.217 -13.522 8.424) 16.480 20.020 ( 3.190 7.909 -7.674) 11.472 20.968 ( 24.337 2.997 -13.476) 27.980 ======================= Grid point 151 (67/312) ======================= q-point: ( 0.00 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 5.439 37.091 14.480) 40.187 2.633 ( -1.689 32.359 18.853) 37.489 3.294 ( -2.230 16.113 14.252) 21.627 4.682 ( 3.521 45.762 4.582) 46.125 4.954 ( -1.385 2.712 5.432) 6.227 5.297 ( 4.592 -24.603 9.978) 26.943 5.917 ( -1.987 -2.092 1.950) 3.482 6.404 ( 1.741 -5.291 -9.412) 10.937 6.802 ( -6.612 -4.423 0.655) 7.982 7.235 ( -0.143 -2.030 -7.057) 7.345 7.331 ( -3.126 -7.157 4.048) 8.796 7.487 ( -1.467 4.041 -15.551) 16.134 7.975 ( 3.219 6.266 -0.449) 7.059 8.399 ( -1.604 13.847 -0.884) 13.967 8.796 ( -5.805 22.630 1.088) 23.388 9.106 ( 2.782 -0.401 0.189) 2.817 9.225 ( -4.513 15.249 1.863) 16.011 9.664 ( -5.937 1.498 7.968) 10.049 10.001 ( 8.068 -9.619 8.812) 15.339 10.618 ( -1.836 9.583 -0.147) 9.758 10.788 ( -0.524 11.063 2.587) 11.374 11.084 ( 5.980 10.366 12.157) 17.059 11.393 ( -2.120 -6.456 0.304) 6.802 11.512 ( 6.255 -19.606 -3.964) 20.958 11.803 ( -8.251 -9.964 11.207) 17.116 12.285 ( -0.274 -13.818 0.450) 13.828 12.840 ( -3.708 13.455 6.173) 15.260 12.956 ( -1.336 4.279 7.958) 9.134 13.632 ( -0.431 -1.378 -0.544) 1.543 13.799 ( -0.823 14.848 2.096) 15.018 15.469 ( 3.773 -19.287 -9.518) 21.836 16.333 ( -0.927 -30.067 5.580) 30.594 17.426 ( 0.297 14.964 -4.352) 15.587 18.646 ( -0.768 -13.190 0.819) 13.237 20.236 ( 2.279 10.652 -9.983) 14.775 21.055 ( 0.729 -7.441 -18.616) 20.062 ======================= Grid point 152 (68/312) ======================= q-point: ( 0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 3.294 30.149 21.971) 37.450 2.795 ( 16.714 31.959 13.300) 38.440 3.380 ( 7.088 18.161 14.394) 24.233 4.850 ( 8.369 35.830 9.541) 38.011 4.905 ( -3.054 11.000 6.653) 13.213 5.499 ( 11.925 -24.795 12.452) 30.200 5.846 ( -5.279 5.297 0.204) 7.481 6.404 ( 1.544 -6.999 -10.649) 12.837 6.643 ( -9.516 -5.828 2.443) 11.423 7.063 ( -11.655 0.675 -14.769) 18.826 7.317 ( 0.591 -7.762 -3.916) 8.714 7.431 ( -0.154 -4.603 -1.969) 5.009 7.942 ( -4.792 2.067 -4.191) 6.693 8.303 ( -5.982 12.056 -8.775) 16.067 8.797 ( 2.701 13.311 -3.142) 13.941 9.040 ( -6.363 16.274 8.315) 19.351 9.238 ( 3.421 7.763 -0.873) 8.528 9.633 ( 0.040 1.365 5.379) 5.550 10.232 ( 7.877 -9.561 8.596) 15.078 10.603 ( 0.816 6.962 4.237) 8.191 10.760 ( -2.681 9.793 0.895) 10.193 11.212 ( 1.513 14.654 11.457) 18.663 11.402 ( 3.718 -9.825 2.807) 10.874 11.601 ( 2.757 -13.529 -4.684) 14.580 11.710 ( -2.031 -6.385 13.205) 14.808 12.265 ( -1.777 -14.499 -0.516) 14.616 12.817 ( -0.769 12.859 5.550) 14.026 12.955 ( -1.734 4.990 7.767) 9.394 13.581 ( -4.485 -0.381 -0.331) 4.514 13.755 ( -4.208 16.062 1.124) 16.642 15.573 ( 9.761 -19.705 -8.605) 23.614 16.333 ( -1.079 -30.814 6.021) 31.416 17.431 ( 1.803 15.268 -5.137) 16.210 18.579 ( -6.224 -11.701 0.036) 13.253 20.213 ( -1.193 9.509 -9.277) 13.338 20.855 ( -13.211 -2.378 -17.726) 22.235 ======================= Grid point 153 (69/312) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( 8.229 27.043 22.711) 36.261 3.085 ( 8.684 21.737 9.979) 25.446 3.675 ( 17.029 25.061 11.427) 32.382 4.730 ( -12.144 6.656 8.366) 16.179 5.186 ( 14.377 25.385 9.207) 30.592 5.722 ( -1.343 0.619 3.279) 3.597 5.804 ( 8.005 -15.478 7.510) 18.975 6.382 ( -1.383 1.591 0.335) 2.134 6.507 ( -2.757 -9.514 -0.569) 9.922 6.787 ( -8.777 -2.634 -17.628) 19.867 7.291 ( -0.657 -6.254 -8.328) 10.435 7.470 ( 2.209 -9.213 5.372) 10.891 7.822 ( -4.571 -0.422 -6.977) 8.351 8.167 ( -2.958 10.038 -10.670) 14.945 8.747 ( -5.710 1.697 -3.873) 7.105 9.023 ( 0.275 19.544 3.028) 19.779 9.303 ( 3.392 10.221 -0.240) 10.772 9.625 ( -3.664 1.552 2.807) 4.870 10.280 ( -3.018 -12.277 -3.070) 13.010 10.650 ( -1.739 8.488 14.581) 16.960 10.757 ( 4.309 2.865 -2.393) 5.701 11.254 ( 0.309 17.205 12.513) 21.276 11.480 ( 0.950 -3.232 5.157) 6.160 11.658 ( 4.908 -3.358 13.400) 14.660 11.825 ( 7.987 -9.553 2.926) 12.791 12.218 ( -2.373 -10.429 -2.579) 11.002 12.841 ( 1.142 11.197 4.970) 12.304 12.935 ( -3.114 5.240 6.882) 9.193 13.467 ( -7.156 1.760 1.783) 7.582 13.652 ( -6.103 20.518 -0.483) 21.412 15.773 ( 13.465 -20.064 -8.714) 25.686 16.333 ( -1.029 -30.770 6.028) 31.371 17.456 ( 2.619 14.081 -5.859) 15.475 18.409 ( -10.824 -9.502 -1.100) 14.445 20.133 ( -3.646 6.980 -8.569) 11.638 20.504 ( -15.746 2.391 -13.600) 20.943 ======================= Grid point 154 (70/312) ======================= q-point: ( 0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( 11.503 23.612 23.849) 35.477 3.236 ( 4.352 17.429 7.343) 19.407 4.050 ( 18.041 26.898 7.965) 33.353 4.494 ( -14.890 7.655 9.660) 19.330 5.261 ( -7.778 13.882 -5.007) 16.681 5.716 ( -5.201 -13.982 4.329) 15.534 5.958 ( 8.734 -9.470 12.530) 17.971 6.374 ( -2.825 -2.770 -5.980) 7.170 6.477 ( 0.199 -4.281 -12.243) 12.971 6.808 ( 16.025 -4.311 8.422) 18.610 7.246 ( -1.565 -8.460 -5.207) 10.056 7.510 ( -0.528 -9.447 5.425) 10.907 7.757 ( 3.258 7.852 -15.698) 17.852 8.146 ( 3.240 7.335 -4.568) 9.229 8.618 ( -5.797 1.199 -0.948) 5.995 8.985 ( -4.442 9.881 -3.458) 11.372 9.359 ( 3.207 5.733 -6.159) 9.005 9.538 ( -4.054 3.024 1.525) 5.283 10.106 ( -13.602 1.940 -0.705) 13.757 10.705 ( 1.165 6.585 16.696) 17.986 10.839 ( 4.985 -6.483 -0.899) 8.228 11.311 ( -0.009 20.108 14.222) 24.629 11.509 ( 0.827 -2.992 4.550) 5.508 11.821 ( 4.794 -4.614 15.895) 17.231 11.986 ( 6.614 -4.495 3.981) 8.933 12.173 ( -0.428 -4.258 -4.680) 6.342 12.874 ( -3.029 11.221 4.690) 12.533 12.889 ( 0.101 2.881 3.295) 4.378 13.334 ( -7.335 7.504 5.953) 12.064 13.536 ( -5.060 26.490 -1.158) 26.994 16.012 ( 13.491 -20.169 -9.426) 26.032 16.337 ( -0.454 -29.377 5.655) 29.920 17.487 ( 2.506 12.323 -5.853) 13.871 18.175 ( -11.900 -8.810 -2.232) 14.973 20.024 ( -4.567 4.189 -7.892) 10.035 20.199 ( -10.863 3.000 -10.140) 15.160 ======================= Grid point 155 (71/312) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( -0.739 17.430 6.244) 18.530 3.492 ( 11.890 21.628 22.586) 33.455 4.243 ( -13.307 7.604 11.412) 19.109 4.447 ( 19.937 22.381 8.690) 31.207 4.986 ( -16.504 15.338 -6.337) 23.405 5.576 ( -7.770 -22.507 3.727) 24.100 6.137 ( 1.638 -5.537 5.530) 7.995 6.268 ( 0.138 -10.031 -17.194) 19.907 6.466 ( 1.109 -8.866 -8.633) 12.424 7.141 ( 7.088 -17.929 12.644) 23.056 7.202 ( -0.762 -8.435 -3.684) 9.236 7.504 ( -0.482 -10.280 6.533) 12.190 7.863 ( 10.937 22.918 -24.540) 35.314 8.265 ( 10.619 7.896 6.077) 14.562 8.561 ( 2.294 2.486 -0.436) 3.410 8.869 ( -5.373 5.010 0.759) 7.385 9.372 ( 1.787 -8.719 -18.598) 20.618 9.512 ( -1.240 15.941 9.612) 18.656 9.812 ( -14.983 10.697 5.822) 19.308 10.741 ( -2.951 8.339 15.736) 18.052 10.960 ( 5.314 -3.208 5.968) 8.611 11.328 ( -2.986 5.243 11.788) 13.243 11.542 ( 1.086 -4.684 2.863) 5.596 11.912 ( 1.641 4.329 4.971) 6.793 12.097 ( 2.286 -7.163 6.526) 9.956 12.149 ( -2.241 -1.426 -2.161) 3.424 12.813 ( -2.637 6.341 3.384) 7.656 12.920 ( 1.548 7.575 1.031) 7.800 13.247 ( -4.252 14.947 10.384) 18.690 13.462 ( -2.300 31.237 0.551) 31.326 16.187 ( 6.514 -24.020 -8.718) 26.371 16.366 ( 2.258 -23.551 2.885) 23.834 17.515 ( 2.223 11.596 -3.416) 12.291 17.969 ( -7.573 -10.963 -3.775) 13.849 19.912 ( -3.820 2.295 -6.902) 8.215 20.025 ( -3.929 1.816 -9.363) 10.316 ======================= Grid point 156 (72/312) ======================= q-point: (-0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -6.808 18.785 4.268) 20.432 3.715 ( -0.501 22.890 21.866) 31.660 4.124 ( 0.099 5.661 13.450) 14.593 4.606 ( -18.002 15.140 -2.019) 23.609 4.907 ( 21.320 18.147 9.027) 29.417 5.481 ( -2.729 -22.451 1.847) 22.691 6.045 ( -8.418 -6.838 -7.077) 12.950 6.235 ( -1.143 -8.567 -16.196) 18.358 6.456 ( 0.946 -13.035 -6.691) 14.683 7.169 ( -1.888 -11.426 -5.512) 12.826 7.191 ( -0.283 -15.764 3.979) 16.261 7.549 ( 2.049 -6.931 1.914) 7.477 7.877 ( -0.947 12.635 -10.272) 16.312 8.497 ( 8.046 3.419 2.910) 9.214 8.727 ( 4.754 -5.234 -0.956) 7.135 8.869 ( 6.269 25.744 6.494) 27.280 9.288 ( -2.110 2.087 3.745) 4.779 9.545 ( 4.496 11.011 2.308) 12.116 9.685 ( -0.202 7.788 2.369) 8.142 10.715 ( -4.769 8.262 14.669) 17.498 11.040 ( -0.334 10.091 10.301) 14.424 11.281 ( -4.819 -10.120 9.207) 14.505 11.544 ( -2.201 -7.120 -1.108) 7.535 11.896 ( -10.774 -4.911 1.257) 11.907 12.031 ( 0.352 0.862 -2.171) 2.362 12.175 ( 1.947 3.712 2.770) 5.024 12.808 ( 0.705 4.908 3.651) 6.157 12.985 ( 4.847 8.954 2.989) 10.611 13.219 ( -3.506 15.385 12.344) 20.034 13.452 ( 0.743 33.770 2.308) 33.857 16.205 ( -1.131 -27.026 -6.995) 27.939 16.406 ( 0.352 -19.139 -1.516) 19.202 17.563 ( 2.985 11.058 1.220) 11.519 17.880 ( 0.695 -12.954 -5.639) 14.145 19.857 ( 1.030 1.848 -6.578) 6.909 19.967 ( 1.026 1.009 -9.897) 10.001 ======================= Grid point 157 (73/312) ======================= q-point: (-0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( -10.476 21.256 5.002) 24.219 3.611 ( -14.182 20.118 18.726) 30.928 4.209 ( -12.462 19.480 -0.359) 23.128 4.363 ( 6.279 6.798 14.627) 17.309 5.300 ( 10.726 9.797 6.732) 16.011 5.495 ( 4.630 -22.449 -1.514) 22.971 5.775 ( -14.193 -2.144 -7.981) 16.423 6.156 ( 0.808 -3.548 -14.044) 14.508 6.458 ( 1.189 -12.709 -4.605) 13.569 7.088 ( -3.043 -15.108 -6.079) 16.567 7.241 ( 3.942 -5.282 0.400) 6.603 7.560 ( 0.192 -1.501 -7.813) 7.958 7.835 ( -2.366 0.319 5.686) 6.166 8.644 ( 5.379 0.750 3.530) 6.478 8.763 ( -3.748 12.592 1.853) 13.268 8.788 ( -5.028 16.622 11.131) 20.627 9.414 ( 5.988 -0.607 -9.641) 11.366 9.704 ( 1.129 7.767 4.983) 9.297 9.867 ( 23.825 13.227 13.517) 30.419 10.664 ( -5.335 7.290 13.787) 16.483 11.016 ( -5.155 16.037 7.773) 18.552 11.231 ( -3.538 -14.113 6.742) 16.036 11.434 ( -7.676 -8.877 -4.233) 12.475 11.585 ( -16.647 -6.430 -2.425) 18.010 12.072 ( 0.902 1.363 2.068) 2.636 12.224 ( 2.385 5.406 0.981) 5.990 12.862 ( 2.991 5.099 5.281) 7.927 13.112 ( 5.401 2.039 6.217) 8.484 13.179 ( -3.751 17.356 10.057) 20.407 13.503 ( 3.387 30.520 2.888) 30.843 16.100 ( -6.725 -24.279 -10.542) 27.309 16.376 ( -2.251 -21.972 0.504) 22.092 17.595 ( -0.615 7.329 0.300) 7.361 17.984 ( 10.997 -9.736 -2.380) 14.879 19.907 ( 5.867 2.545 -7.507) 9.862 20.006 ( 7.346 1.549 -10.127) 12.606 ======================= Grid point 158 (74/312) ======================= q-point: (-0.30 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( -10.521 25.244 8.044) 28.507 3.342 ( -19.044 20.606 13.646) 31.201 3.888 ( -17.710 19.363 1.592) 26.289 4.612 ( 10.063 6.061 14.303) 18.509 5.176 ( -16.778 17.240 -8.989) 25.681 5.548 ( -1.439 -24.490 -9.997) 26.491 5.656 ( 2.370 -11.981 1.664) 12.326 6.282 ( 13.060 16.548 7.358) 22.328 6.472 ( 1.976 -10.955 -3.586) 11.695 7.032 ( -0.014 -12.682 -7.377) 14.672 7.346 ( 6.876 -3.155 0.714) 7.599 7.516 ( -1.643 -2.317 -8.729) 9.179 7.813 ( -2.073 -2.383 6.090) 6.860 8.560 ( -10.923 25.669 10.956) 29.971 8.745 ( 3.865 -0.961 4.207) 5.794 8.941 ( 10.318 5.347 0.641) 11.639 9.424 ( -1.781 6.656 -5.967) 9.115 9.718 ( -1.253 9.875 5.818) 11.530 10.375 ( 20.703 7.623 11.526) 24.892 10.598 ( -6.896 3.669 13.271) 15.399 10.888 ( -9.922 10.468 1.488) 14.500 11.098 ( -11.567 -5.809 1.389) 13.018 11.275 ( -5.248 -4.159 -4.453) 8.042 11.396 ( -1.293 -10.211 1.633) 10.421 12.061 ( -2.981 -1.446 4.298) 5.427 12.257 ( 0.612 1.738 1.196) 2.196 12.937 ( 1.691 5.805 8.140) 10.140 13.086 ( -6.726 9.367 11.992) 16.637 13.293 ( 8.924 4.752 1.845) 10.277 13.594 ( 4.811 24.418 2.665) 25.030 15.890 ( -10.102 -22.299 -12.742) 27.598 16.345 ( -1.491 -25.222 2.565) 25.396 17.557 ( -2.483 7.347 -2.007) 8.010 18.230 ( 13.197 -8.982 0.837) 15.986 20.002 ( 6.792 4.345 -9.529) 12.483 20.212 ( 17.132 2.423 -9.506) 19.742 ======================= Grid point 159 (75/312) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( -8.903 29.332 12.804) 33.220 2.966 ( -22.715 25.733 5.622) 34.782 3.564 ( -16.172 15.745 8.442) 24.098 4.814 ( 5.009 7.183 8.341) 12.094 4.855 ( -10.853 32.426 -1.686) 34.235 5.383 ( -8.534 -28.448 -7.399) 30.608 5.782 ( 7.381 -13.470 0.887) 15.385 6.434 ( -0.333 6.536 0.313) 6.552 6.650 ( 14.133 5.707 8.510) 17.456 7.051 ( 4.407 -10.280 -4.844) 12.189 7.424 ( -3.829 -5.292 -2.183) 6.887 7.514 ( 8.484 1.431 -8.652) 12.201 7.801 ( -0.344 -0.919 4.467) 4.574 8.425 ( -5.952 23.331 8.052) 25.389 8.855 ( 6.404 -2.529 0.866) 6.939 9.130 ( 7.921 8.073 0.741) 11.334 9.299 ( -9.551 14.202 -1.386) 17.170 9.699 ( -2.945 8.797 7.939) 12.210 10.407 ( -16.800 -7.373 8.151) 20.075 10.688 ( 7.350 9.412 5.187) 13.020 10.715 ( -5.433 11.130 -1.023) 12.427 10.940 ( -3.717 -2.063 2.275) 4.822 11.253 ( 3.956 -1.142 -0.170) 4.121 11.428 ( 1.719 -12.238 3.450) 12.831 11.995 ( -5.381 -5.890 6.135) 10.064 12.267 ( 0.269 -4.639 1.261) 4.815 12.969 ( -1.260 5.481 8.644) 10.313 12.994 ( -6.481 10.849 10.624) 16.510 13.470 ( 8.207 0.637 0.838) 8.274 13.696 ( 4.525 19.215 2.500) 19.898 15.657 ( -8.570 -21.321 -12.712) 26.261 16.333 ( -0.901 -27.147 3.703) 27.413 17.499 ( -2.435 10.298 -2.976) 10.992 18.461 ( 9.694 -11.173 1.465) 14.865 20.105 ( 7.070 7.249 -10.320) 14.458 20.573 ( 22.370 0.203 -11.011) 24.934 ======================= Grid point 160 (76/312) ======================= q-point: (-0.10 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -16.590 32.833 10.025) 38.128 2.651 ( -5.941 32.424 13.312) 35.550 3.356 ( -9.079 15.519 13.269) 22.346 4.684 ( -4.403 43.349 0.239) 43.573 4.929 ( 1.888 3.215 7.125) 8.042 5.255 ( -2.693 -26.955 2.333) 27.189 5.897 ( 3.494 -9.416 1.439) 10.146 6.412 ( -0.284 0.129 -4.653) 4.664 6.851 ( 2.768 1.132 1.940) 3.565 7.173 ( 6.381 -8.713 5.770) 12.244 7.350 ( -0.937 0.347 -5.172) 5.267 7.563 ( 0.757 4.680 -18.028) 18.641 7.869 ( 4.736 2.811 7.198) 9.063 8.392 ( -0.225 18.002 5.584) 18.849 8.977 ( 1.586 6.842 -0.665) 7.055 9.036 ( -8.347 13.042 -4.125) 16.024 9.266 ( 1.533 10.123 3.811) 10.924 9.685 ( -1.208 5.449 13.348) 14.468 10.075 ( -15.707 -12.072 0.748) 19.824 10.654 ( -1.726 13.431 -0.878) 13.570 10.766 ( 1.537 10.596 2.820) 11.072 10.957 ( 2.806 2.576 8.005) 8.865 11.374 ( 6.050 -0.843 2.088) 6.456 11.448 ( -0.344 -18.562 0.149) 18.566 11.907 ( -6.197 -10.103 8.809) 14.767 12.279 ( 0.463 -10.413 0.911) 10.463 12.909 ( -5.594 12.558 8.404) 16.113 12.961 ( -1.972 4.324 7.996) 9.302 13.596 ( 4.321 -1.182 0.090) 4.480 13.774 ( 2.418 16.067 2.432) 16.429 15.498 ( -3.135 -19.975 -11.291) 23.159 16.332 ( -0.783 -28.748 4.735) 29.146 17.450 ( -1.341 13.173 -3.651) 13.735 18.605 ( 4.572 -13.003 1.248) 13.840 20.194 ( 5.443 9.777 -10.404) 15.280 20.932 ( 16.964 -5.401 -15.015) 23.290 ======================= Grid point 161 (77/312) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 1.205 30.217 14.378) 33.486 3.226 ( 1.125 29.997 7.762) 31.005 3.560 ( 0.136 10.485 13.377) 16.997 4.618 ( 6.446 -31.999 8.241) 33.666 5.080 ( -1.019 6.090 6.677) 9.095 5.442 ( 2.674 26.821 0.825) 26.966 5.641 ( 1.165 -20.209 0.871) 20.261 6.229 ( -0.682 -14.523 -2.297) 14.719 6.883 ( -3.101 6.335 -1.407) 7.192 7.123 ( 0.314 -7.305 7.326) 10.350 7.363 ( -5.857 8.169 -11.316) 15.136 7.555 ( -4.127 1.443 -14.677) 15.314 8.232 ( -2.116 22.198 6.066) 23.110 8.722 ( -3.832 16.063 -12.301) 20.592 8.996 ( 0.354 -1.438 -4.495) 4.732 9.289 ( 3.014 18.255 -1.955) 18.605 9.565 ( -6.387 -12.617 0.876) 14.169 9.624 ( -5.183 23.606 5.435) 24.772 9.877 ( 10.146 -1.892 11.024) 15.101 10.604 ( -1.294 -12.787 -5.263) 13.888 10.808 ( -1.680 -9.914 0.442) 10.065 10.897 ( 2.060 -22.394 -3.353) 22.738 11.271 ( 6.080 7.078 16.648) 19.084 11.420 ( 0.712 1.367 7.517) 7.673 11.718 ( -6.075 -1.235 21.659) 22.529 12.007 ( -3.268 -13.237 4.243) 14.279 13.040 ( -2.932 6.008 5.398) 8.593 13.184 ( -2.562 8.669 5.077) 10.368 13.732 ( 0.879 18.836 1.206) 18.895 14.106 ( -0.404 14.640 1.493) 14.721 15.119 ( 2.868 -14.950 -7.090) 16.793 15.678 ( -2.151 -35.457 7.634) 36.333 17.739 ( 1.087 16.736 -5.443) 17.632 18.372 ( 0.386 -14.962 -2.525) 15.179 20.453 ( 2.611 11.437 -12.748) 17.324 20.882 ( 2.043 -9.971 -16.793) 19.637 ======================= Grid point 162 (78/312) ======================= q-point: ( 0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 2.415 23.230 13.676) 27.065 3.357 ( 5.359 22.351 7.923) 24.312 3.752 ( 15.254 21.639 17.466) 31.718 4.865 ( 12.909 -25.388 11.141) 30.583 5.043 ( -4.264 2.551 9.412) 10.643 5.522 ( 4.703 22.350 3.915) 23.172 5.617 ( -4.083 -20.005 2.416) 20.560 6.221 ( 0.820 -13.805 -2.168) 13.998 6.797 ( -5.362 11.433 -2.397) 12.854 7.054 ( -11.177 -3.740 -7.546) 13.995 7.225 ( -0.775 2.191 -5.650) 6.110 7.404 ( -5.737 -1.061 -8.141) 10.016 8.104 ( -9.049 17.444 -2.411) 19.799 8.539 ( -8.473 7.620 -17.000) 20.466 8.945 ( -2.532 8.098 -8.718) 12.165 9.408 ( 3.225 8.591 -4.262) 10.118 9.469 ( -3.568 19.390 9.793) 22.014 9.625 ( 5.995 -3.352 0.270) 6.874 10.034 ( -1.284 -5.912 4.489) 7.533 10.644 ( 6.476 -1.926 5.321) 8.601 10.722 ( -4.979 -14.628 -2.234) 15.613 10.962 ( 6.043 -20.974 0.850) 21.843 11.456 ( 0.462 5.927 24.099) 24.822 11.523 ( 12.638 6.319 0.061) 14.130 11.694 ( -5.196 -0.939 24.930) 25.483 11.986 ( 0.480 -12.782 1.081) 12.836 12.996 ( -3.068 5.646 4.304) 7.734 13.155 ( -2.343 5.273 3.301) 6.648 13.738 ( -0.776 22.993 2.922) 23.190 14.095 ( -0.985 16.875 0.798) 16.922 15.193 ( 7.290 -17.621 -7.054) 20.332 15.666 ( -1.715 -35.995 7.618) 36.832 17.739 ( 0.730 16.091 -5.697) 17.086 18.333 ( -3.487 -13.674 -2.935) 14.413 20.408 ( -2.747 10.196 -12.055) 16.026 20.760 ( -8.131 -6.893 -16.262) 19.444 ======================= Grid point 163 (79/312) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 6.484 20.459 14.185) 25.726 3.463 ( 3.814 15.563 7.005) 17.488 4.178 ( 19.934 26.521 14.699) 36.288 4.863 ( -10.667 7.466 7.661) 15.106 5.232 ( 11.942 -23.710 10.595) 28.584 5.489 ( -9.199 -21.635 5.740) 24.200 5.668 ( 7.658 15.268 5.636) 17.987 6.251 ( 2.567 -13.525 -0.492) 13.776 6.648 ( -9.545 10.330 -2.272) 14.247 6.769 ( -10.273 -0.548 -14.692) 17.936 7.193 ( -1.991 -2.538 -5.488) 6.366 7.336 ( -1.253 -6.268 4.307) 7.707 7.968 ( -1.040 16.986 -7.910) 18.766 8.352 ( -2.981 4.878 -19.907) 20.711 8.828 ( -6.563 9.579 -6.966) 13.541 9.320 ( -3.569 7.474 -8.848) 12.120 9.490 ( -3.492 5.083 -5.273) 8.114 9.757 ( 2.539 14.317 10.493) 17.931 9.948 ( -0.867 -16.678 -5.806) 17.681 10.640 ( -2.496 -14.494 -0.403) 14.713 10.788 ( 2.854 5.251 12.343) 13.714 11.164 ( 11.464 -16.444 8.803) 21.894 11.510 ( -1.667 6.108 21.685) 22.591 11.675 ( -5.156 -1.462 23.949) 24.541 11.800 ( 13.167 5.409 4.009) 14.788 12.033 ( 3.802 -7.301 -0.972) 8.289 12.956 ( -2.465 3.961 3.888) 6.073 13.103 ( -3.947 1.863 1.479) 4.608 13.732 ( -1.149 29.056 5.670) 29.626 14.085 ( 0.241 21.968 -0.504) 21.975 15.349 ( 11.059 -22.004 -7.904) 25.864 15.666 ( -0.782 -35.875 7.754) 36.712 17.726 ( 0.029 13.689 -6.409) 15.115 18.216 ( -7.305 -10.768 -3.915) 13.589 20.278 ( -6.090 7.529 -11.125) 14.749 20.499 ( -12.382 -2.607 -14.005) 18.874 ======================= Grid point 164 (80/312) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.560 ( 3.512 14.815 7.339) 16.903 3.595 ( 10.000 16.858 13.976) 24.073 4.553 ( 12.313 23.636 8.115) 27.859 4.653 ( -11.317 10.588 10.299) 18.608 5.281 ( -10.767 -20.994 1.871) 23.668 5.377 ( -2.211 -9.648 3.729) 10.578 5.866 ( 9.587 2.780 7.967) 12.771 6.253 ( -4.595 -10.537 -5.309) 12.662 6.439 ( -5.776 1.473 -10.229) 11.839 6.670 ( 1.276 -9.616 2.589) 10.040 7.135 ( -2.366 -2.317 -2.187) 3.968 7.317 ( -2.918 -9.480 6.234) 11.715 8.058 ( 13.109 18.027 -9.399) 24.190 8.313 ( 5.778 5.942 -19.919) 21.575 8.665 ( -7.647 7.333 -4.384) 11.466 9.249 ( 0.417 -2.473 -18.562) 18.731 9.280 ( -11.518 8.870 -6.047) 15.745 9.786 ( -0.521 15.992 4.633) 16.658 9.994 ( 2.004 -10.259 2.065) 10.655 10.624 ( 0.286 -15.470 4.265) 16.050 10.858 ( 0.282 9.211 15.494) 18.027 11.325 ( -1.265 -11.892 15.754) 19.779 11.570 ( -0.162 5.312 17.207) 18.009 11.691 ( 1.042 -6.084 20.066) 20.994 12.016 ( 6.854 3.807 3.788) 8.708 12.103 ( 3.723 -1.915 -2.005) 4.642 12.923 ( -2.365 2.271 3.600) 4.869 13.022 ( -4.189 0.309 1.149) 4.355 13.737 ( -0.754 33.908 7.932) 34.832 14.111 ( 2.841 29.252 -1.371) 29.422 15.531 ( 8.610 -27.965 -7.743) 30.267 15.708 ( 3.746 -33.103 6.647) 33.971 17.699 ( -0.307 9.971 -7.120) 12.256 18.035 ( -9.350 -6.904 -4.940) 12.629 20.115 ( -6.546 4.784 -10.348) 13.146 20.227 ( -10.307 -0.149 -11.659) 15.562 ======================= Grid point 165 (81/312) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 0.729 16.023 5.481) 16.950 3.861 ( 12.122 12.609 15.070) 23.088 4.391 ( -14.357 9.487 10.401) 20.107 4.848 ( 11.265 18.290 7.587) 22.781 5.059 ( -11.390 -14.192 -0.178) 18.198 5.286 ( -6.216 -1.295 0.017) 6.350 6.035 ( 4.012 -6.769 2.445) 8.240 6.080 ( -6.262 -5.284 -10.054) 12.969 6.361 ( -1.127 -2.027 -11.248) 11.485 6.736 ( 1.748 -20.994 7.162) 22.251 7.090 ( -1.493 -2.024 -1.055) 2.727 7.292 ( -1.240 -10.227 7.881) 12.970 8.309 ( 10.438 16.894 -16.755) 25.983 8.414 ( 10.027 9.720 -16.082) 21.299 8.546 ( -0.850 -1.570 2.765) 3.291 9.073 ( -2.371 -3.781 -13.399) 14.122 9.277 ( 6.380 14.241 -10.569) 18.847 9.786 ( -0.107 8.685 1.172) 8.764 9.972 ( -7.068 7.629 15.789) 18.907 10.669 ( 1.257 -18.103 8.424) 20.007 10.920 ( 0.637 7.064 16.160) 17.648 11.279 ( -7.349 -6.595 16.539) 19.263 11.568 ( -4.609 2.252 12.780) 13.771 11.793 ( -0.320 -11.641 12.192) 16.860 12.093 ( 1.586 4.177 0.196) 4.473 12.163 ( 2.924 0.946 0.806) 3.177 12.890 ( -1.938 2.497 3.595) 4.787 12.976 ( -1.069 -1.031 3.334) 3.650 13.751 ( -0.896 36.223 8.803) 37.288 14.172 ( 3.291 35.443 -1.331) 35.620 15.598 ( 1.226 -32.783 -2.066) 32.871 15.851 ( 7.457 -29.712 -0.278) 30.634 17.679 ( 1.198 6.022 -6.898) 9.235 17.848 ( -7.320 -3.330 -5.608) 9.804 19.971 ( -4.297 3.300 -9.762) 11.165 20.043 ( -4.533 0.061 -10.797) 11.711 ======================= Grid point 166 (82/312) ======================= q-point: (-0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( -4.514 18.371 3.933) 19.322 4.135 ( -1.131 -5.228 10.707) 11.968 4.182 ( 0.563 24.180 16.687) 29.384 4.843 ( -10.363 7.008 -3.577) 13.011 5.038 ( 3.245 -9.079 7.570) 12.258 5.225 ( 2.598 1.685 0.072) 3.097 5.918 ( -4.786 -4.843 -10.864) 12.821 6.108 ( 2.365 -5.130 -0.947) 5.728 6.274 ( -3.357 -3.270 -13.247) 14.052 6.761 ( -0.610 -22.216 1.923) 22.307 7.087 ( 1.857 -0.880 0.120) 2.059 7.328 ( 1.219 -11.532 10.221) 15.457 8.241 ( -4.203 18.284 -20.358) 27.684 8.561 ( 3.320 0.598 3.410) 4.797 8.646 ( 9.827 1.587 -9.130) 13.507 9.131 ( 12.290 -10.836 -21.898) 27.349 9.425 ( 7.162 24.187 3.413) 25.455 9.802 ( 0.899 5.490 4.082) 6.900 9.897 ( -3.850 18.835 24.325) 31.005 10.696 ( -2.303 -14.973 11.597) 19.079 10.985 ( -0.439 -0.699 18.065) 18.084 11.191 ( -6.031 -3.877 11.731) 13.748 11.475 ( -8.712 -0.917 6.764) 11.067 11.695 ( -11.451 -11.483 2.411) 16.395 12.121 ( 1.631 5.172 0.164) 5.426 12.232 ( 2.873 0.745 3.745) 4.778 12.890 ( 0.718 3.290 4.670) 5.757 13.001 ( 1.699 -2.529 6.538) 7.213 13.753 ( -2.134 36.706 8.577) 37.755 14.206 ( 0.253 37.052 -1.114) 37.069 15.593 ( -1.029 -32.529 -1.698) 32.589 15.928 ( 0.353 -29.681 -2.183) 29.764 17.713 ( 2.610 4.028 -4.125) 6.329 17.742 ( 0.878 -2.184 -7.263) 7.635 19.907 ( 1.522 2.869 -9.634) 10.167 19.974 ( 1.187 -0.236 -11.259) 11.324 ======================= Grid point 167 (83/312) ======================= q-point: (-0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( -7.100 20.985 3.965) 22.505 3.932 ( -13.642 8.379 12.430) 20.269 4.460 ( 11.287 10.033 13.285) 20.113 4.598 ( -13.426 16.963 -4.153) 22.029 5.088 ( 2.911 -18.104 2.595) 18.520 5.279 ( -1.485 -13.016 -3.467) 13.551 5.790 ( -6.775 6.293 -5.681) 10.852 6.191 ( 5.026 3.668 -8.822) 10.796 6.207 ( 6.076 -9.880 -2.030) 11.775 6.750 ( 0.709 -18.787 -3.968) 19.215 7.160 ( 4.569 -1.266 2.776) 5.494 7.384 ( 0.794 -11.122 8.981) 14.317 8.105 ( -3.136 18.590 -14.644) 23.872 8.568 ( -0.412 -6.488 0.502) 6.521 8.862 ( 13.594 9.284 -7.640) 18.148 9.314 ( 11.989 -5.754 -12.985) 18.586 9.404 ( -9.486 26.804 6.609) 29.191 9.842 ( 0.658 5.215 8.294) 9.819 10.112 ( 14.676 12.240 21.365) 28.665 10.662 ( -5.232 -10.132 11.961) 16.526 10.999 ( -4.765 -6.074 18.128) 19.703 11.123 ( -6.457 -3.633 9.006) 11.662 11.292 ( -9.173 -3.359 -1.183) 9.839 11.435 ( -13.464 -7.317 -1.923) 15.444 12.143 ( -0.530 4.591 2.623) 5.315 12.277 ( 0.112 -0.493 4.109) 4.140 12.949 ( 3.035 3.606 6.571) 8.087 13.075 ( 3.090 -3.106 8.628) 9.677 13.723 ( -3.705 35.954 7.002) 36.817 14.176 ( -2.543 33.431 -0.735) 33.536 15.538 ( -3.835 -30.297 -5.074) 30.957 15.865 ( -5.320 -29.997 0.268) 30.466 17.702 ( 1.121 4.567 -5.847) 7.504 17.871 ( 10.321 -3.689 -4.178) 11.730 19.963 ( 7.194 2.854 -10.399) 12.963 20.021 ( 8.248 0.067 -11.781) 14.382 ======================= Grid point 168 (84/312) ======================= q-point: (-0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( -6.675 23.477 5.718) 25.069 3.710 ( -13.435 13.965 11.678) 22.626 4.230 ( -20.159 16.661 -5.501) 26.725 4.730 ( 9.508 6.548 11.226) 16.103 5.083 ( -10.216 -23.183 -10.098) 27.273 5.222 ( 5.380 -15.086 1.609) 16.097 5.623 ( -7.162 14.477 -4.993) 16.906 6.224 ( 2.956 -13.297 -2.674) 13.882 6.517 ( 19.048 5.810 5.658) 20.702 6.787 ( 4.954 -11.714 -5.362) 13.803 7.272 ( 5.870 -2.344 3.603) 7.276 7.412 ( -0.099 -7.723 5.169) 9.294 8.029 ( -0.455 19.986 -9.325) 22.060 8.597 ( 3.938 -7.741 -0.890) 8.730 9.069 ( 6.143 11.557 -0.897) 13.119 9.215 ( -7.292 27.299 1.477) 28.295 9.495 ( 9.239 1.415 -7.557) 12.019 9.872 ( -0.784 4.521 8.877) 9.993 10.437 ( 5.480 -1.338 20.853) 21.602 10.565 ( -6.436 -5.154 9.612) 12.664 10.896 ( -8.152 -8.493 -0.308) 11.777 10.974 ( -8.949 -6.021 4.675) 11.756 11.142 ( -6.663 -2.678 1.110) 7.266 11.293 ( -0.977 -3.492 6.941) 7.831 12.097 ( -5.898 3.971 5.868) 9.219 12.256 ( -3.792 -2.306 4.681) 6.450 13.027 ( 1.617 3.972 8.975) 9.947 13.174 ( 3.672 -2.076 8.767) 9.729 13.668 ( -3.200 33.147 3.872) 33.526 14.124 ( -2.278 26.472 0.110) 26.570 15.403 ( -7.124 -25.311 -9.318) 27.896 15.773 ( -4.441 -31.909 4.877) 32.584 17.715 ( 1.930 8.840 -6.061) 10.890 18.068 ( 10.480 -8.372 -3.256) 13.804 20.092 ( 9.869 4.661 -11.872) 16.127 20.222 ( 16.004 -1.170 -11.951) 20.008 ======================= Grid point 169 (85/312) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( -5.897 25.193 8.858) 27.348 3.483 ( -13.724 24.736 6.827) 29.100 3.827 ( -18.097 11.493 0.812) 21.453 4.796 ( -12.446 -30.102 -6.597) 33.235 4.921 ( 5.621 6.163 8.265) 11.742 5.357 ( 6.006 0.450 -1.627) 6.239 5.522 ( -1.027 6.047 -1.686) 6.361 6.260 ( 1.097 -15.618 -1.756) 15.754 6.851 ( 9.514 2.921 1.546) 10.072 6.907 ( 8.852 -3.419 4.825) 10.646 7.371 ( 2.134 -0.360 1.217) 2.483 7.488 ( 8.654 -3.862 0.444) 9.487 8.028 ( 2.910 23.331 -3.487) 23.769 8.715 ( 7.842 -6.060 0.352) 9.917 8.959 ( -8.616 22.772 -2.475) 24.473 9.288 ( 7.595 7.960 -1.218) 11.069 9.582 ( 0.595 13.207 -4.814) 14.070 9.860 ( -3.409 6.310 6.738) 9.841 10.211 ( -20.732 -8.665 9.212) 24.285 10.672 ( 2.212 -16.678 8.873) 19.020 10.805 ( -5.704 -6.391 -4.959) 9.899 10.824 ( 1.728 -1.981 -3.516) 4.390 11.107 ( -1.216 0.482 14.124) 14.184 11.338 ( 1.544 -4.817 9.357) 10.637 11.963 ( -10.074 2.458 9.556) 14.101 12.173 ( -6.145 -5.529 5.726) 10.056 13.063 ( -0.844 5.476 9.234) 10.769 13.244 ( -0.200 2.372 8.403) 8.734 13.651 ( 0.867 25.990 1.079) 26.027 14.098 ( -0.576 19.500 0.866) 19.528 15.236 ( -5.850 -19.668 -9.662) 22.681 15.724 ( -2.966 -33.578 6.840) 34.395 17.729 ( 1.558 12.841 -5.919) 14.225 18.235 ( 7.588 -12.232 -2.946) 14.693 20.254 ( 10.560 7.832 -12.629) 18.230 20.522 ( 18.211 -4.818 -13.292) 23.055 ======================= Grid point 170 (86/312) ======================= q-point: (-0.10 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -7.168 28.827 12.385) 32.183 3.262 ( -7.379 31.997 3.535) 33.026 3.598 ( -7.906 7.712 10.075) 14.950 4.595 ( -5.515 -32.488 0.452) 32.956 5.035 ( 3.136 5.808 6.658) 9.375 5.407 ( 1.396 25.845 -1.724) 25.940 5.576 ( 4.645 -17.831 0.183) 18.427 6.253 ( -0.805 -15.428 -1.956) 15.573 6.921 ( 0.443 1.941 -2.497) 3.194 7.066 ( 2.886 -4.198 10.700) 11.851 7.419 ( 2.514 6.376 -4.500) 8.199 7.615 ( 3.527 -0.636 -10.991) 11.560 8.137 ( 6.850 25.644 7.427) 27.563 8.801 ( -2.939 22.461 -3.433) 22.911 8.903 ( 8.122 -7.262 -4.540) 11.803 9.381 ( -3.587 9.423 -5.166) 11.329 9.531 ( 3.237 15.422 3.061) 16.052 9.803 ( -4.810 4.980 7.907) 10.510 9.845 ( -17.106 -4.991 1.822) 17.912 10.662 ( -1.556 -21.458 -7.664) 22.839 10.779 ( 1.928 -10.156 3.994) 11.082 10.869 ( 2.261 -3.549 -1.761) 4.562 11.156 ( 0.699 2.322 17.258) 17.427 11.391 ( 0.376 -4.036 8.532) 9.446 11.806 ( -9.527 0.239 15.122) 17.875 12.076 ( -5.538 -9.954 5.942) 12.848 13.065 ( -1.858 6.180 7.491) 9.887 13.226 ( -3.482 7.978 6.663) 10.962 13.694 ( 2.537 19.209 0.592) 19.385 14.101 ( 0.230 15.338 1.393) 15.402 15.132 ( -1.606 -15.606 -8.191) 17.699 15.697 ( -2.439 -34.636 7.458) 35.514 17.736 ( 1.223 15.598 -5.621) 16.625 18.338 ( 4.009 -14.483 -2.658) 15.261 20.393 ( 7.802 10.528 -12.940) 18.416 20.788 ( 12.923 -8.900 -15.349) 21.950 ======================= Grid point 171 (87/312) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( -2.990 -6.596 7.702) 10.572 3.531 ( -2.990 6.596 7.702) 10.572 3.960 ( 7.833 -33.790 12.768) 36.961 3.960 ( 7.833 33.790 12.768) 36.961 5.276 ( -0.107 -14.888 4.398) 15.525 5.276 ( -0.107 14.888 4.398) 15.525 5.891 ( 0.821 -19.754 -1.859) 19.858 5.891 ( 0.821 19.754 -1.859) 19.858 6.989 ( -0.770 -5.966 2.532) 6.526 6.989 ( -0.770 5.966 2.532) 6.526 7.512 ( -4.920 -5.490 -11.705) 13.833 7.512 ( -4.920 5.490 -11.705) 13.833 8.695 ( -5.306 -18.338 -4.552) 19.626 8.695 ( -5.306 18.338 -4.552) 19.626 9.195 ( 1.711 -20.300 0.313) 20.374 9.195 ( 1.711 20.300 0.313) 20.374 9.656 ( -1.428 -16.468 -4.703) 17.186 9.656 ( -1.428 16.468 -4.703) 17.186 10.195 ( 4.921 -26.238 2.428) 26.806 10.195 ( 4.921 26.238 2.428) 26.806 10.654 ( -4.049 -0.627 3.025) 5.093 10.654 ( -4.049 0.627 3.025) 5.093 11.408 ( 5.455 -4.898 15.008) 16.703 11.408 ( 5.455 4.898 15.008) 16.703 11.786 ( -5.929 -8.744 11.856) 15.880 11.786 ( -5.929 8.744 11.856) 15.880 13.161 ( -3.020 -5.829 4.624) 8.030 13.161 ( -3.020 5.829 4.624) 8.030 14.176 ( 1.974 -14.033 -1.245) 14.226 14.176 ( 1.974 14.033 -1.245) 14.226 15.088 ( -1.330 -18.208 3.418) 18.574 15.088 ( -1.330 18.208 3.418) 18.574 18.065 ( 0.990 -16.436 -4.504) 17.071 18.065 ( 0.990 16.436 -4.504) 17.071 20.675 ( 2.624 -11.185 -14.989) 18.885 20.675 ( 2.624 11.185 -14.989) 18.885 ======================= Grid point 173 (88/312) ======================= q-point: ( 0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( 0.995 -3.980 7.630) 8.663 3.537 ( 0.995 3.980 7.630) 8.663 4.277 ( 18.048 -30.645 17.330) 39.563 4.277 ( 18.048 30.645 17.330) 39.563 5.237 ( -5.791 -15.506 5.964) 17.593 5.237 ( -5.791 15.506 5.964) 17.593 5.915 ( 2.235 -17.455 -0.783) 17.615 5.915 ( 2.235 17.455 -0.783) 17.615 6.945 ( -5.123 -6.008 -1.963) 8.136 6.945 ( -5.123 6.008 -1.963) 8.136 7.333 ( -7.607 -5.853 -9.329) 13.385 7.333 ( -7.607 5.853 -9.329) 13.385 8.475 ( -10.994 -14.018 -11.134) 21.008 8.475 ( -10.994 14.018 -11.134) 21.008 9.254 ( 1.419 -21.262 -3.515) 21.597 9.254 ( 1.419 21.262 -3.515) 21.597 9.611 ( -0.667 -5.182 -6.178) 8.091 9.611 ( -0.667 5.182 -6.178) 8.091 10.272 ( -0.926 -25.077 5.648) 25.722 10.272 ( -0.926 25.077 5.648) 25.722 10.686 ( 7.697 -7.578 5.516) 12.128 10.686 ( 7.697 7.578 5.516) 12.128 11.565 ( 2.102 -4.338 22.803) 23.307 11.565 ( 2.102 4.338 22.803) 23.307 11.767 ( 2.313 -9.742 5.397) 11.375 11.767 ( 2.313 9.742 5.397) 11.375 13.109 ( -3.555 -5.744 2.960) 7.375 13.109 ( -3.555 5.744 2.960) 7.375 14.217 ( 2.576 -12.839 0.168) 13.096 14.217 ( 2.576 12.839 0.168) 13.096 15.086 ( 0.232 -15.171 2.429) 15.366 15.086 ( 0.232 15.171 2.429) 15.366 18.048 ( -1.165 -15.455 -4.718) 16.201 18.048 ( -1.165 15.455 -4.718) 16.201 20.600 ( -4.847 -9.294 -14.350) 17.771 20.600 ( -4.847 9.294 -14.350) 17.771 ======================= Grid point 175 (89/312) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( 4.274 -1.663 7.904) 9.139 3.616 ( 4.274 1.663 7.904) 9.139 4.704 ( 18.332 -26.973 15.053) 35.920 4.704 ( 18.332 26.973 15.053) 35.920 5.097 ( -10.645 -15.913 7.801) 20.674 5.097 ( -10.645 15.913 7.801) 20.674 5.973 ( 3.621 -14.961 0.381) 15.398 5.973 ( 3.621 14.961 0.381) 15.398 6.747 ( -12.068 -1.928 -8.670) 14.984 6.747 ( -12.068 1.928 -8.670) 14.984 7.217 ( -3.158 -4.716 -0.308) 5.684 7.217 ( -3.158 4.716 -0.308) 5.684 8.288 ( -2.698 -11.194 -13.380) 17.652 8.288 ( -2.698 11.194 -13.380) 17.652 9.159 ( -7.134 -20.229 -12.849) 25.004 9.159 ( -7.134 20.229 -12.849) 25.004 9.620 ( 2.663 -9.622 -6.388) 11.852 9.620 ( 2.663 9.622 -6.388) 11.852 10.237 ( -2.725 -24.601 5.856) 25.434 10.237 ( -2.725 24.601 5.856) 25.434 10.911 ( 9.335 -8.827 13.264) 18.466 10.911 ( 9.335 8.827 13.264) 18.466 11.609 ( -4.045 -4.438 24.588) 25.311 11.609 ( -4.045 4.438 24.588) 25.311 11.917 ( 9.263 -5.622 2.338) 11.085 11.917 ( 9.263 5.622 2.338) 11.085 13.045 ( -3.895 -4.933 2.133) 6.637 13.045 ( -3.895 4.933 2.133) 6.637 14.280 ( 3.635 -13.310 1.663) 13.898 14.280 ( 3.635 13.310 1.663) 13.898 15.120 ( 2.808 -9.928 0.922) 10.358 15.120 ( 2.808 9.928 0.922) 10.358 17.986 ( -3.468 -12.782 -5.551) 14.360 17.986 ( -3.468 12.782 -5.551) 14.360 20.413 ( -8.946 -5.949 -12.980) 16.850 20.413 ( -8.946 5.949 -12.980) 16.850 ======================= Grid point 177 (90/312) ======================= q-point: ( 0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.747 ( 6.020 -2.189 8.125) 10.346 3.747 ( 6.020 2.189 8.125) 10.346 4.879 ( -11.677 -17.401 6.528) 21.950 4.879 ( -11.677 17.401 6.528) 21.950 5.046 ( 9.484 -21.856 10.943) 26.217 5.046 ( 9.484 21.856 10.943) 26.217 6.032 ( 1.528 -11.254 -2.009) 11.533 6.032 ( 1.528 11.254 -2.009) 11.533 6.508 ( -7.944 -5.929 -6.011) 11.592 6.508 ( -7.944 5.929 -6.011) 11.592 7.166 ( -2.938 -5.260 2.809) 6.648 7.166 ( -2.938 5.260 2.809) 6.648 8.298 ( 7.386 -6.600 -10.523) 14.452 8.298 ( 7.386 6.600 -10.523) 14.452 8.956 ( -7.049 -18.324 -18.866) 27.229 8.956 ( -7.049 18.324 -18.866) 27.229 9.637 ( 2.019 -18.336 -8.448) 20.289 9.637 ( 2.019 18.336 -8.448) 20.289 10.237 ( -0.582 -22.259 11.508) 25.065 10.237 ( -0.582 22.259 11.508) 25.065 11.078 ( 1.994 -12.714 17.169) 21.457 11.078 ( 1.994 12.714 17.169) 21.457 11.619 ( -2.586 -1.770 20.077) 20.320 11.619 ( -2.586 1.770 20.077) 20.320 12.075 ( 5.691 -1.951 2.054) 6.357 12.075 ( 5.691 1.951 2.054) 6.357 12.978 ( -3.553 -3.227 2.453) 5.391 12.978 ( -3.553 3.227 2.453) 5.391 14.364 ( 3.862 -17.379 3.085) 18.068 14.364 ( 3.862 17.379 3.085) 18.068 15.202 ( 5.387 -9.547 -0.635) 10.980 15.202 ( 5.387 9.547 -0.635) 10.980 17.883 ( -4.729 -8.785 -6.528) 11.923 17.883 ( -4.729 8.785 -6.528) 11.923 20.195 ( -8.546 -3.066 -11.656) 14.775 20.195 ( -8.546 3.066 -11.656) 14.775 ======================= Grid point 179 (91/312) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 4.541 -8.510 7.654) 12.314 3.884 ( 4.541 8.510 7.654) 12.314 4.682 ( -9.620 -18.910 8.984) 23.040 4.682 ( -9.620 18.910 8.984) 23.040 5.180 ( 1.665 -12.275 3.357) 12.834 5.180 ( 1.665 12.275 3.357) 12.834 6.000 ( -1.747 -3.311 -8.456) 9.247 6.000 ( -1.747 3.311 -8.456) 9.247 6.421 ( -1.419 -9.555 -0.626) 9.681 6.421 ( -1.419 9.555 -0.626) 9.680 7.131 ( -1.523 -5.760 4.255) 7.322 7.131 ( -1.523 5.760 4.255) 7.322 8.447 ( 7.649 -3.869 -1.447) 8.693 8.447 ( 7.649 3.869 -1.447) 8.693 8.797 ( 0.342 -18.296 -28.512) 33.879 8.797 ( 0.342 18.296 -28.512) 33.879 9.674 ( 4.560 -17.042 -3.740) 18.034 9.674 ( 4.560 17.042 -3.740) 18.034 10.269 ( -1.570 -20.365 17.708) 27.033 10.269 ( -1.570 20.365 17.708) 27.033 11.112 ( -3.771 -10.902 17.259) 20.759 11.112 ( -3.771 10.902 17.259) 20.759 11.620 ( -4.335 -5.039 13.657) 15.189 11.620 ( -4.335 5.039 13.657) 15.189 12.156 ( 2.601 -1.886 1.631) 3.603 12.156 ( 2.601 1.886 1.631) 3.603 12.935 ( -1.690 -2.379 4.004) 4.954 12.935 ( -1.690 2.379 4.004) 4.954 14.434 ( 1.779 -22.790 3.823) 23.177 14.434 ( 1.779 22.790 3.823) 23.177 15.305 ( 4.948 -17.356 -1.779) 18.135 15.305 ( 4.948 17.356 -1.779) 18.135 17.778 ( -3.041 -4.336 -6.993) 8.772 17.778 ( -3.041 4.336 -6.993) 8.772 20.025 ( -4.565 -1.980 -11.076) 12.142 20.025 ( -4.565 1.980 -11.076) 12.142 ======================= Grid point 181 (92/312) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.934 ( -2.389 -14.415 6.082) 15.827 3.934 ( -2.389 14.415 6.082) 15.827 4.621 ( 0.434 -20.107 11.570) 23.202 4.621 ( 0.434 20.107 11.570) 23.202 5.141 ( -5.642 -10.204 -2.740) 11.978 5.141 ( -5.642 10.204 -2.740) 11.978 5.962 ( 1.230 -7.856 -8.072) 11.331 5.962 ( 1.230 7.856 -8.072) 11.331 6.391 ( -1.142 -13.917 -2.882) 14.258 6.391 ( -1.142 13.917 -2.882) 14.258 7.146 ( 1.233 -6.595 6.187) 9.127 7.146 ( 1.233 6.595 6.187) 9.127 8.479 ( -3.333 -6.962 -1.003) 7.783 8.479 ( -3.333 6.962 -1.003) 7.783 8.857 ( 14.961 -15.397 -27.743) 35.079 8.857 ( 14.961 15.397 -27.743) 35.079 9.775 ( 4.617 -9.478 3.169) 11.009 9.775 ( 4.617 9.478 3.169) 11.009 10.298 ( -1.944 -21.813 22.879) 31.670 10.298 ( -1.944 21.813 22.879) 31.670 11.074 ( -5.379 -7.415 14.952) 17.535 11.074 ( -5.379 7.415 14.952) 17.535 11.516 ( -9.777 -5.894 5.945) 12.872 11.516 ( -9.777 5.894 5.945) 12.872 12.204 ( 1.694 -3.127 2.504) 4.349 12.204 ( 1.694 3.127 2.504) 4.349 12.946 ( 1.009 -2.803 6.330) 6.996 12.946 ( 1.009 2.803 6.330) 6.996 14.449 ( -1.618 -24.923 3.361) 25.200 14.449 ( -1.618 24.923 3.361) 25.200 15.354 ( 0.402 -21.064 -2.198) 21.182 15.354 ( 0.402 21.064 -2.198) 21.182 17.739 ( 1.661 -0.480 -6.739) 6.957 17.739 ( 1.661 0.480 -6.739) 6.957 19.955 ( 1.443 -1.801 -11.318) 11.551 19.955 ( 1.443 1.801 -11.318) 11.551 ======================= Grid point 183 (93/312) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.855 ( -6.776 -13.656 6.142) 16.436 3.855 ( -6.776 13.656 6.142) 16.436 4.748 ( 7.015 -16.593 11.403) 21.321 4.748 ( 7.015 16.593 11.403) 21.321 4.947 ( -12.506 -17.827 -7.653) 23.082 4.947 ( -12.506 17.827 -7.653) 23.082 5.968 ( 0.548 -10.987 -5.329) 12.223 5.968 ( 0.548 10.987 -5.329) 12.223 6.408 ( 6.039 -15.054 -4.178) 16.750 6.408 ( 6.039 15.054 -4.178) 16.750 7.209 ( 2.613 -6.188 6.898) 9.628 7.209 ( 2.613 6.188 6.898) 9.628 8.402 ( -1.967 -11.274 -6.244) 13.036 8.402 ( -1.967 11.274 -6.244) 13.036 9.096 ( 16.171 -13.321 -18.422) 27.899 9.096 ( 16.171 13.321 -18.422) 27.899 9.817 ( -2.586 -10.769 8.210) 13.786 9.817 ( -2.586 10.769 8.210) 13.786 10.374 ( 1.198 -15.394 23.885) 28.441 10.374 ( 1.198 15.394 23.885) 28.441 10.998 ( -7.772 -5.306 10.573) 14.154 10.998 ( -7.772 5.306 10.573) 14.154 11.319 ( -10.095 -4.567 1.515) 11.183 11.319 ( -10.095 4.567 1.515) 11.183 12.228 ( -0.790 -3.857 3.915) 5.553 12.228 ( -0.790 3.857 3.915) 5.553 13.012 ( 2.992 -3.180 8.271) 9.353 13.012 ( 2.992 3.180 8.271) 9.353 14.393 ( -4.936 -23.111 1.550) 23.683 14.393 ( -4.936 23.111 1.550) 23.683 15.310 ( -3.778 -18.965 -1.402) 19.388 15.310 ( -3.778 18.965 -1.402) 19.388 17.793 ( 5.702 -4.571 -6.220) 9.596 17.793 ( 5.702 4.571 -6.220) 9.596 20.007 ( 8.007 -1.501 -12.009) 14.511 20.007 ( 8.007 1.501 -12.009) 14.511 ======================= Grid point 185 (94/312) ======================= q-point: (-0.30 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( -6.906 -10.974 7.756) 15.109 3.742 ( -6.906 10.974 7.756) 15.109 4.607 ( -18.278 -22.123 -9.843) 30.338 4.607 ( -18.278 22.123 -9.843) 30.338 4.935 ( 7.670 -12.101 8.891) 16.862 4.935 ( 7.670 12.101 8.891) 16.862 5.937 ( -1.340 -16.004 -4.616) 16.710 5.937 ( -1.340 16.004 -4.616) 16.710 6.612 ( 14.213 -5.969 -0.333) 15.419 6.612 ( 14.213 5.969 -0.333) 15.419 7.288 ( 3.528 -4.045 5.621) 7.772 7.288 ( 3.528 4.045 5.621) 7.772 8.386 ( 2.819 -14.581 -6.204) 16.094 8.386 ( 2.819 14.581 -6.204) 16.094 9.298 ( 8.496 -10.888 -13.596) 19.380 9.298 ( 8.496 10.888 -13.596) 19.380 9.783 ( -1.884 -16.434 9.086) 18.873 9.783 ( -1.884 16.434 9.086) 18.873 10.438 ( -5.342 -4.911 21.702) 22.883 10.438 ( -5.342 4.911 21.702) 22.883 10.834 ( -8.587 -4.428 -0.419) 9.671 10.834 ( -8.587 4.428 -0.419) 9.671 11.204 ( -3.042 -5.297 7.152) 9.405 11.204 ( -3.042 5.297 7.152) 9.405 12.185 ( -5.638 -4.505 5.990) 9.379 12.185 ( -5.638 4.505 5.990) 9.379 13.105 ( 3.110 -4.101 9.173) 10.518 13.105 ( 3.110 4.101 9.173) 10.518 14.283 ( -5.920 -20.134 -1.059) 21.013 14.283 ( -5.920 20.134 -1.059) 21.013 15.224 ( -4.392 -16.956 0.567) 17.524 15.224 ( -4.392 16.956 0.567) 17.524 17.894 ( 6.356 -9.321 -5.816) 12.692 17.894 ( 6.356 9.321 -5.816) 12.692 20.174 ( 13.111 -3.554 -12.855) 18.702 20.174 ( 13.111 3.554 -12.855) 18.702 ======================= Grid point 187 (95/312) ======================= q-point: (-0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.648 ( -5.739 -9.301 9.609) 14.552 3.648 ( -5.739 9.301 9.609) 14.552 4.211 ( -18.069 -28.515 -6.819) 34.440 4.211 ( -18.069 28.515 -6.819) 34.440 5.098 ( 6.447 -12.783 5.947) 15.503 5.098 ( 6.447 12.783 5.947) 15.503 5.904 ( -0.465 -20.364 -4.004) 20.759 5.904 ( -0.465 20.364 -4.004) 20.759 6.866 ( 9.322 -1.725 2.929) 9.922 6.866 ( 9.322 1.725 2.929) 9.922 7.406 ( 7.599 -3.639 2.218) 8.713 7.406 ( 7.599 3.639 2.218) 8.713 8.474 ( 8.025 -18.417 -4.454) 20.578 8.474 ( 8.025 18.417 -4.454) 20.578 9.308 ( -2.284 -9.658 -6.778) 12.019 9.308 ( -2.284 9.658 -6.778) 12.019 9.824 ( 1.490 -10.569 3.205) 11.145 9.824 ( 1.490 10.569 3.205) 11.145 10.271 ( -13.431 -16.200 7.330) 22.284 10.271 ( -13.431 16.200 7.330) 22.284 10.754 ( -1.523 -1.844 3.094) 3.911 10.754 ( -1.523 1.844 3.094) 3.911 11.216 ( 0.229 -7.101 11.819) 13.790 11.216 ( 0.229 7.101 11.819) 13.790 12.056 ( -9.627 -6.090 8.378) 14.141 12.056 ( -9.627 6.090 8.378) 14.141 13.176 ( 0.749 -5.758 8.721) 10.478 13.176 ( 0.749 5.758 8.721) 10.478 14.184 ( -2.986 -17.826 -2.743) 18.282 14.184 ( -2.986 17.826 -2.743) 18.282 15.154 ( -3.290 -18.191 2.509) 18.656 15.154 ( -3.290 18.191 2.509) 18.656 17.985 ( 4.826 -13.228 -5.395) 15.079 17.985 ( 4.826 13.228 -5.395) 15.079 20.402 ( 14.222 -7.178 -13.802) 21.078 20.402 ( 14.222 7.178 -13.802) 21.078 ======================= Grid point 189 (96/312) ======================= q-point: (-0.10 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.583 ( -4.714 -10.041 9.713) 14.744 3.583 ( -4.714 10.041 9.713) 14.744 3.932 ( -7.940 -34.725 1.887) 35.671 3.932 ( -7.940 34.725 1.887) 35.671 5.220 ( 4.087 -13.986 4.258) 15.180 5.220 ( 4.087 13.986 4.258) 15.180 5.890 ( 0.196 -21.221 -2.987) 21.431 5.890 ( 0.196 21.221 -2.987) 21.431 6.973 ( 1.643 -4.291 3.600) 5.837 6.973 ( 1.643 4.291 3.600) 5.837 7.545 ( 4.851 -5.702 -5.088) 9.051 7.545 ( 4.851 5.702 -5.088) 9.051 8.644 ( 8.918 -20.663 -1.268) 22.541 8.644 ( 8.918 20.663 -1.268) 22.541 9.231 ( -3.313 -19.842 -2.415) 20.261 9.231 ( -3.313 19.842 -2.415) 20.261 9.754 ( -7.702 -8.240 -1.149) 11.337 9.754 ( -7.702 8.240 -1.149) 11.337 10.141 ( -0.175 -24.156 -1.290) 24.191 10.141 ( -0.175 24.156 -1.290) 24.191 10.726 ( -3.634 -4.834 5.459) 8.147 10.726 ( -3.634 4.834 5.459) 8.147 11.283 ( 2.428 -7.108 13.345) 15.314 11.283 ( 2.428 7.108 13.345) 15.314 11.898 ( -9.334 -7.968 10.846) 16.378 11.898 ( -9.334 7.968 10.846) 16.378 13.190 ( -1.853 -6.152 6.816) 9.367 13.190 ( -1.853 6.152 6.816) 9.367 14.154 ( 0.564 -15.764 -2.483) 15.969 14.154 ( 0.564 15.764 -2.483) 15.969 15.111 ( -2.271 -19.116 3.511) 19.568 15.111 ( -2.271 19.116 3.511) 19.568 18.043 ( 2.895 -15.670 -4.861) 16.660 18.043 ( 2.895 15.670 -4.861) 16.660 20.598 ( 10.184 -10.319 -14.676) 20.630 20.598 ( 10.184 10.319 -14.676) 20.630 ======================= Grid point 231 (97/312) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 8.239 0.000 37.795) 38.683 1.576 ( -1.936 0.000 39.747) 39.794 2.795 ( -1.031 0.000 31.872) 31.889 3.377 ( -7.008 0.000 60.283) 60.689 4.948 ( -8.088 0.000 -5.248) 9.642 5.681 ( -14.904 0.000 12.950) 19.744 6.098 ( -1.213 0.000 1.806) 2.175 6.250 ( 1.776 0.000 -35.513) 35.558 6.952 ( 2.567 0.000 -3.812) 4.596 7.208 ( 0.013 0.000 4.750) 4.750 7.300 ( -1.278 0.000 -2.822) 3.098 7.595 ( 9.631 0.000 -2.166) 9.871 8.173 ( 1.305 0.000 -10.017) 10.102 8.246 ( 13.040 0.000 6.977) 14.789 8.475 ( 4.841 0.000 24.560) 25.033 8.871 ( -13.042 0.000 -5.147) 14.021 9.369 ( -6.294 0.000 8.922) 10.919 9.781 ( 2.742 0.000 3.574) 4.505 9.902 ( -3.965 0.000 11.039) 11.729 10.031 ( 3.090 0.000 14.985) 15.301 10.694 ( -7.690 0.000 38.225) 38.991 10.779 ( 11.936 0.000 8.284) 14.530 11.212 ( -10.192 0.000 -0.747) 10.219 11.573 ( -1.414 0.000 -6.653) 6.801 12.106 ( -3.229 0.000 -14.871) 15.217 12.210 ( -0.490 0.000 -19.410) 19.416 13.022 ( 0.136 0.000 -19.400) 19.401 13.090 ( 0.679 0.000 15.158) 15.173 13.334 ( 4.387 0.000 1.359) 4.593 13.438 ( 0.417 0.000 1.154) 1.227 15.980 ( 6.477 0.000 -19.113) 20.181 16.274 ( 3.625 0.000 -22.293) 22.585 17.696 ( -8.892 0.000 17.503) 19.632 19.633 ( 0.312 0.000 -9.796) 9.801 19.983 ( 3.600 0.000 3.104) 4.753 20.556 ( -14.701 0.000 -3.518) 15.116 ======================= Grid point 232 (98/312) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 16.470 0.000 35.979) 39.569 2.028 ( 31.801 0.000 33.547) 46.225 2.893 ( 1.019 0.000 20.643) 20.668 3.641 ( 15.156 0.000 65.583) 67.311 4.749 ( -9.429 0.000 -8.432) 12.649 5.387 ( -21.177 0.000 27.713) 34.879 6.109 ( -2.519 0.000 -41.652) 41.728 6.191 ( 12.062 0.000 -10.635) 16.081 6.968 ( 0.945 0.000 -5.245) 5.329 7.202 ( -1.666 0.000 2.175) 2.740 7.268 ( -2.796 0.000 4.171) 5.022 7.794 ( 10.129 0.000 0.340) 10.134 8.157 ( 0.138 0.000 -6.022) 6.023 8.453 ( 5.354 0.000 7.509) 9.223 8.502 ( -14.038 0.000 1.526) 14.120 8.643 ( -3.822 0.000 11.486) 12.105 9.329 ( 1.031 0.000 11.718) 11.763 9.878 ( 5.626 0.000 5.723) 8.025 9.911 ( -0.163 0.000 8.492) 8.494 10.095 ( -2.546 0.000 15.787) 15.991 10.659 ( -8.404 0.000 31.302) 32.410 11.064 ( 12.784 0.000 11.077) 16.915 11.108 ( -2.443 0.000 2.329) 3.375 11.523 ( -0.957 0.000 -8.391) 8.446 11.991 ( -2.393 0.000 -16.394) 16.568 12.151 ( 2.275 0.000 -20.617) 20.742 12.843 ( -10.365 0.000 -19.418) 22.011 13.156 ( 0.474 0.000 11.991) 12.000 13.374 ( -1.536 0.000 -1.873) 2.422 13.423 ( -2.353 0.000 3.934) 4.584 16.119 ( 13.470 0.000 -13.079) 18.775 16.266 ( 3.445 0.000 -22.430) 22.693 17.572 ( -10.024 0.000 19.396) 21.833 19.618 ( 1.437 0.000 -8.510) 8.630 20.031 ( -32.981 0.000 6.136) 33.547 20.040 ( 0.980 0.000 3.352) 3.493 ======================= Grid point 233 (99/312) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 25.344 0.000 30.218) 39.439 2.643 ( 18.113 0.000 33.184) 37.805 2.975 ( 1.837 0.000 21.617) 21.695 4.427 ( 42.671 0.000 47.711) 64.009 4.542 ( -8.909 0.000 -8.058) 12.012 5.085 ( -20.180 0.000 34.840) 40.262 5.893 ( -3.974 0.000 -43.792) 43.972 6.450 ( 17.760 0.000 -14.253) 22.772 6.941 ( -3.388 0.000 -2.939) 4.485 7.165 ( -2.469 0.000 0.296) 2.486 7.211 ( -3.820 0.000 4.396) 5.824 7.967 ( 8.057 0.000 -2.523) 8.443 8.124 ( -4.586 0.000 5.665) 7.289 8.244 ( -6.489 0.000 -11.320) 13.048 8.522 ( -0.945 0.000 10.016) 10.061 8.604 ( -4.532 0.000 10.003) 10.982 9.468 ( 7.008 0.000 13.075) 14.834 9.909 ( -3.705 0.000 7.899) 8.725 9.932 ( -6.443 0.000 6.741) 9.325 10.170 ( 7.684 0.000 14.258) 16.197 10.567 ( -8.913 0.000 20.588) 22.435 11.042 ( -6.667 0.000 13.867) 15.386 11.318 ( 9.895 0.000 7.252) 12.268 11.491 ( 1.136 0.000 -9.642) 9.709 11.919 ( -1.101 0.000 -15.811) 15.849 12.180 ( 7.490 0.000 -17.136) 18.701 12.533 ( -13.790 0.000 -18.381) 22.979 13.141 ( -5.749 0.000 4.492) 7.296 13.257 ( -9.214 0.000 -0.388) 9.222 13.412 ( -0.830 0.000 11.450) 11.480 16.257 ( 3.467 0.000 -22.462) 22.728 16.400 ( 18.755 0.000 -8.785) 20.710 17.448 ( -9.648 0.000 20.690) 22.829 19.476 ( -25.374 0.000 6.372) 26.162 19.629 ( 2.402 0.000 -7.327) 7.710 20.041 ( -1.984 0.000 2.794) 3.427 ======================= Grid point 234 (100/312) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.871 ( -0.445 0.000 15.954) 15.960 3.006 ( 27.197 0.000 26.218) 37.776 3.253 ( 14.082 0.000 43.215) 45.452 4.343 ( -10.002 0.000 -3.876) 10.727 4.764 ( -19.358 0.000 32.152) 37.530 5.536 ( 48.318 0.000 31.082) 57.452 5.701 ( 0.512 0.000 -42.590) 42.593 6.736 ( 15.646 0.000 -13.077) 20.391 6.783 ( -11.769 0.000 0.527) 11.781 7.122 ( -0.849 0.000 -1.121) 1.406 7.200 ( 1.818 0.000 0.974) 2.063 8.041 ( -5.355 0.000 11.782) 12.942 8.097 ( 7.417 0.000 -8.056) 10.950 8.168 ( 0.715 0.000 -12.120) 12.141 8.483 ( -6.866 0.000 9.260) 11.528 8.574 ( -0.873 0.000 6.173) 6.234 9.627 ( 4.227 0.000 10.441) 11.264 9.676 ( -21.062 0.000 0.375) 21.065 9.811 ( -8.232 0.000 5.072) 9.669 10.237 ( -6.105 0.000 16.659) 17.743 10.676 ( 10.049 0.000 25.800) 27.688 11.032 ( 3.101 0.000 18.747) 19.002 11.489 ( 3.513 0.000 -1.226) 3.721 11.520 ( 8.538 0.000 -8.531) 12.070 11.746 ( -11.404 0.000 -17.001) 20.472 12.223 ( -12.977 0.000 -13.856) 18.984 12.316 ( 10.525 0.000 -9.513) 14.187 12.982 ( -10.744 0.000 0.755) 10.770 13.072 ( -8.737 0.000 2.741) 9.157 13.451 ( -0.503 0.000 15.745) 15.753 16.249 ( 3.597 0.000 -22.414) 22.701 16.757 ( 20.154 0.000 -9.395) 22.237 17.342 ( -8.576 0.000 22.836) 24.393 19.087 ( -16.573 0.000 0.897) 16.597 19.657 ( 2.762 0.000 -6.749) 7.292 19.987 ( -4.059 0.000 1.699) 4.400 ======================= Grid point 235 (101/312) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -3.746 0.000 14.326) 14.808 3.574 ( 19.713 0.000 23.150) 30.406 3.692 ( 13.817 0.000 48.627) 50.552 4.127 ( -9.688 0.000 1.667) 9.830 4.493 ( -19.090 0.000 33.192) 38.290 5.661 ( 9.746 0.000 -37.185) 38.441 6.296 ( 14.772 0.000 -3.963) 15.294 6.548 ( -11.235 0.000 -0.449) 11.244 6.986 ( 13.214 0.000 -8.658) 15.797 7.236 ( 17.913 0.000 7.471) 19.408 7.249 ( 2.036 0.000 0.253) 2.052 7.997 ( -2.936 0.000 9.347) 9.797 8.189 ( 4.992 0.000 -6.296) 8.035 8.198 ( 4.025 0.000 -8.025) 8.978 8.299 ( -12.359 0.000 4.855) 13.278 8.612 ( 2.341 0.000 6.541) 6.947 9.228 ( -21.632 0.000 2.653) 21.794 9.614 ( -8.715 0.000 0.129) 8.716 9.717 ( -1.735 0.000 7.055) 7.265 10.188 ( -5.444 0.000 17.932) 18.740 10.824 ( -5.258 0.000 39.910) 40.255 11.366 ( 15.897 0.000 4.267) 16.460 11.481 ( 0.284 0.000 -12.337) 12.340 11.509 ( 1.087 0.000 -5.344) 5.453 11.705 ( 12.027 0.000 -8.896) 14.960 11.883 ( -18.444 0.000 -8.959) 20.505 12.487 ( 7.804 0.000 -4.177) 8.851 12.757 ( -11.288 0.000 0.457) 11.298 12.967 ( -3.510 0.000 3.733) 5.124 13.483 ( -2.256 0.000 17.456) 17.602 16.244 ( 3.771 0.000 -22.321) 22.638 17.016 ( 6.245 0.000 -16.563) 17.701 17.342 ( 3.319 0.000 30.654) 30.833 18.829 ( -9.707 0.000 -2.998) 10.159 19.684 ( 2.236 0.000 -6.812) 7.169 19.907 ( -4.200 0.000 0.297) 4.211 ======================= Grid point 236 (102/312) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -4.987 0.000 15.659) 16.434 3.601 ( -19.670 0.000 11.043) 22.558 3.979 ( -10.662 0.000 54.889) 55.915 4.282 ( 19.071 0.000 15.856) 24.801 4.378 ( 4.447 0.000 29.339) 29.674 5.813 ( 16.434 0.000 -28.926) 33.269 6.121 ( -22.723 0.000 -18.922) 29.570 6.373 ( -5.782 0.000 -2.921) 6.478 7.107 ( 4.582 0.000 -11.631) 12.501 7.263 ( -0.258 0.000 -0.409) 0.483 7.609 ( 6.053 0.000 -5.933) 8.476 7.899 ( -21.624 0.000 10.310) 23.956 7.998 ( 0.558 0.000 5.056) 5.087 8.294 ( 6.146 0.000 -3.267) 6.960 8.528 ( 24.570 0.000 -1.450) 24.612 8.710 ( 5.015 0.000 10.928) 12.023 8.943 ( -6.814 0.000 8.689) 11.042 9.452 ( -6.019 0.000 -2.067) 6.365 9.670 ( -5.190 0.000 3.725) 6.388 10.103 ( -9.448 0.000 15.496) 18.149 10.824 ( -7.460 0.000 38.488) 39.204 11.375 ( 3.797 0.000 -7.592) 8.488 11.471 ( -16.379 0.000 -5.457) 17.264 11.500 ( -0.236 0.000 -5.084) 5.090 11.908 ( 11.706 0.000 -10.244) 15.555 11.945 ( 25.828 0.000 4.453) 26.210 12.396 ( -13.583 0.000 -4.936) 14.452 12.734 ( 6.383 0.000 3.335) 7.202 12.936 ( -1.222 0.000 2.291) 2.596 13.477 ( -4.596 0.000 17.775) 18.360 16.244 ( 3.996 0.000 -22.191) 22.548 16.920 ( -7.738 0.000 -11.106) 13.536 17.615 ( 10.294 0.000 26.823) 28.731 18.704 ( -1.208 0.000 -4.009) 4.187 19.693 ( 1.028 0.000 -6.443) 6.524 19.840 ( -2.311 0.000 -1.939) 3.017 ======================= Grid point 237 (103/312) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -5.793 0.000 19.082) 19.942 3.164 ( -27.920 0.000 13.147) 30.860 3.753 ( -24.566 0.000 45.880) 52.043 4.690 ( 15.706 0.000 15.488) 22.058 4.745 ( 14.427 0.000 37.699) 40.365 5.407 ( -41.892 0.000 -13.118) 43.898 6.043 ( 14.092 0.000 -21.664) 25.844 6.331 ( 4.081 0.000 -5.468) 6.823 7.082 ( -4.605 0.000 -13.108) 13.893 7.262 ( 1.123 0.000 -1.756) 2.084 7.501 ( -6.702 0.000 -15.117) 16.536 7.588 ( -14.204 0.000 13.007) 19.259 8.045 ( 2.491 0.000 2.922) 3.839 8.354 ( 0.862 0.000 -3.692) 3.792 8.548 ( -12.357 0.000 -6.890) 14.148 8.868 ( 6.247 0.000 11.017) 12.665 9.378 ( 32.035 0.000 12.345) 34.331 9.417 ( 2.973 0.000 4.327) 5.250 9.555 ( -6.891 0.000 0.661) 6.922 9.963 ( -8.715 0.000 12.458) 15.204 10.815 ( -7.734 0.000 39.003) 39.762 11.092 ( -13.281 0.000 -0.128) 13.282 11.455 ( -3.542 0.000 -4.017) 5.356 11.654 ( 19.835 0.000 -6.675) 20.928 11.993 ( -8.396 0.000 -2.002) 8.631 12.173 ( 2.919 0.000 -16.102) 16.365 12.402 ( 18.978 0.000 0.539) 18.986 12.873 ( 5.527 0.000 7.128) 9.019 12.931 ( 0.708 0.000 0.039) 0.709 13.427 ( -6.185 0.000 15.381) 16.578 16.249 ( 4.249 0.000 -22.041) 22.447 16.692 ( -10.961 0.000 -13.504) 17.393 17.836 ( 1.880 0.000 28.453) 28.515 18.795 ( 11.955 0.000 1.328) 12.028 19.691 ( 1.146 0.000 -4.709) 4.847 19.801 ( -0.750 0.000 -5.226) 5.279 ======================= Grid point 238 (104/312) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -31.330 0.000 18.593) 36.432 2.744 ( -6.853 0.000 25.136) 26.054 3.374 ( -29.791 0.000 32.062) 43.766 4.404 ( -48.542 0.000 8.935) 49.357 4.970 ( 8.355 0.000 11.131) 13.918 5.243 ( 14.522 0.000 40.824) 43.330 6.169 ( 7.220 0.000 -17.818) 19.226 6.500 ( 13.271 0.000 -6.744) 14.886 6.794 ( -17.713 0.000 -18.105) 25.329 7.303 ( 3.783 0.000 -4.047) 5.540 7.377 ( -3.495 0.000 -8.448) 9.142 7.437 ( -4.583 0.000 7.974) 9.197 8.095 ( 1.148 0.000 2.304) 2.574 8.254 ( -14.306 0.000 -5.152) 15.206 8.321 ( -2.193 0.000 -2.220) 3.121 9.008 ( 6.020 0.000 5.340) 8.047 9.408 ( -6.599 0.000 -0.522) 6.620 9.610 ( 10.630 0.000 15.074) 18.445 9.828 ( 0.622 0.000 15.434) 15.446 9.904 ( 6.298 0.000 0.205) 6.301 10.740 ( -10.631 0.000 35.467) 37.026 11.059 ( 7.780 0.000 6.079) 9.873 11.277 ( -14.835 0.000 -3.277) 15.193 11.769 ( -7.842 0.000 -3.371) 8.536 12.068 ( 24.258 0.000 -6.634) 25.148 12.257 ( 7.072 0.000 -17.449) 18.827 12.608 ( 2.485 0.000 -8.615) 8.966 12.988 ( 2.453 0.000 13.644) 13.863 13.011 ( 7.956 0.000 0.828) 7.999 13.357 ( -4.516 0.000 8.430) 9.563 16.259 ( 4.404 0.000 -21.934) 22.372 16.421 ( -11.191 0.000 -17.127) 20.459 17.891 ( -4.602 0.000 25.165) 25.582 19.174 ( 23.694 0.000 14.683) 27.875 19.716 ( 2.808 0.000 -3.265) 4.307 19.767 ( -0.471 0.000 -7.300) 7.315 ======================= Grid point 239 (105/312) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -30.524 0.000 26.004) 40.099 2.591 ( -36.071 0.000 22.925) 42.740 2.801 ( -19.222 0.000 16.206) 25.142 3.696 ( -30.901 0.000 44.120) 53.865 5.093 ( 1.647 0.000 5.377) 5.624 5.653 ( 11.461 0.000 41.998) 43.534 6.241 ( 6.899 0.000 -20.746) 21.863 6.383 ( -16.016 0.000 -17.365) 23.623 6.725 ( 10.946 0.000 -4.060) 11.675 7.266 ( -6.239 0.000 1.967) 6.541 7.355 ( 2.831 0.000 -7.904) 8.395 7.436 ( 2.080 0.000 -3.012) 3.660 8.014 ( -7.875 0.000 -0.812) 7.917 8.106 ( 0.827 0.000 -0.561) 0.999 8.291 ( -1.231 0.000 5.816) 5.945 9.140 ( 3.761 0.000 2.988) 4.804 9.304 ( -1.637 0.000 -1.282) 2.079 9.791 ( -3.822 0.000 6.941) 7.924 9.874 ( 8.208 0.000 22.330) 23.791 9.962 ( -2.458 0.000 7.612) 8.000 10.703 ( -7.161 0.000 39.535) 40.178 10.903 ( -19.529 0.000 -4.862) 20.126 11.294 ( 12.195 0.000 -2.584) 12.465 11.673 ( -2.236 0.000 -3.925) 4.517 12.298 ( 3.338 0.000 -17.397) 17.715 12.459 ( 2.810 0.000 -21.943) 22.123 12.552 ( 12.601 0.000 -0.052) 12.601 13.045 ( -2.583 0.000 19.620) 19.789 13.174 ( 7.103 0.000 -0.257) 7.108 13.340 ( 1.631 0.000 0.127) 1.636 16.165 ( -8.025 0.000 -20.039) 21.586 16.269 ( 4.313 0.000 -21.947) 22.366 17.858 ( -6.360 0.000 20.949) 21.893 19.717 ( -0.522 0.000 -10.192) 10.206 19.786 ( 31.896 0.000 22.074) 38.790 19.792 ( 4.356 0.000 0.160) 4.359 ======================= Grid point 240 (106/312) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -21.484 0.000 34.910) 40.991 1.716 ( -44.196 0.000 19.833) 48.442 2.742 ( -5.106 0.000 33.928) 34.310 3.422 ( -17.002 0.000 54.317) 56.916 5.078 ( -3.959 0.000 -0.273) 3.969 5.846 ( -4.907 0.000 15.393) 16.156 6.151 ( -4.674 0.000 4.413) 6.428 6.283 ( 5.430 0.000 -27.313) 27.847 6.881 ( 6.119 0.000 -2.271) 6.527 7.189 ( -1.637 0.000 4.767) 5.041 7.343 ( -0.610 0.000 -9.304) 9.324 7.477 ( 4.089 0.000 -5.574) 6.913 8.002 ( 6.287 0.000 6.606) 9.119 8.152 ( 4.603 0.000 -9.429) 10.492 8.323 ( 0.797 0.000 21.312) 21.326 9.079 ( -7.355 0.000 -2.657) 7.820 9.378 ( 3.860 0.000 3.998) 5.557 9.753 ( -1.054 0.000 2.331) 2.558 9.953 ( -1.137 0.000 14.785) 14.829 9.990 ( -6.201 0.000 21.887) 22.748 10.637 ( -2.230 0.000 -2.244) 3.164 10.703 ( -7.122 0.000 40.432) 41.055 11.394 ( -2.307 0.000 -6.930) 7.304 11.623 ( -1.679 0.000 -5.041) 5.313 12.250 ( -7.863 0.000 -15.076) 17.003 12.275 ( 0.611 0.000 -17.694) 17.704 12.905 ( 16.677 0.000 -11.480) 20.246 13.050 ( -2.418 0.000 17.720) 17.884 13.265 ( 2.754 0.000 0.175) 2.760 13.397 ( 3.290 0.000 -0.314) 3.305 15.999 ( -1.321 0.000 -21.506) 21.547 16.275 ( 3.984 0.000 -22.094) 22.451 17.792 ( -7.274 0.000 17.869) 19.293 19.670 ( -0.475 0.000 -10.536) 10.546 19.889 ( 4.897 0.000 1.983) 5.283 20.439 ( 24.363 0.000 8.395) 25.769 ======================= Grid point 241 (107/312) ======================= q-point: ( 0.00 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 7.428 21.391 32.687) 39.764 1.979 ( -0.248 31.714 31.200) 44.489 3.018 ( -2.125 21.815 21.203) 30.495 3.487 ( -4.510 13.130 61.008) 62.567 4.953 ( -6.490 1.107 -2.323) 6.981 5.749 ( -15.048 6.203 13.107) 20.897 6.043 ( 1.953 -4.944 1.726) 5.590 6.265 ( 1.576 0.651 -31.379) 31.425 6.923 ( 3.270 -2.171 -4.751) 6.162 7.152 ( -4.045 -7.232 -5.052) 9.705 7.233 ( 3.602 -3.389 3.367) 5.983 7.636 ( 5.897 2.452 -5.198) 8.234 8.028 ( 5.942 -11.707 -1.466) 13.210 8.252 ( 2.622 1.100 1.775) 3.352 8.554 ( 1.551 5.740 23.775) 24.507 8.883 ( -9.931 2.754 -2.512) 10.608 9.268 ( -4.304 -6.879 5.605) 9.862 9.870 ( -5.971 0.772 12.849) 14.190 9.938 ( 1.875 10.716 2.818) 11.238 10.252 ( 2.135 19.452 13.887) 23.995 10.666 ( 6.641 -4.740 13.479) 15.756 10.791 ( -5.757 5.437 26.232) 27.401 11.269 ( 1.023 6.306 1.883) 6.660 11.922 ( 2.189 13.673 -11.707) 18.132 12.075 ( -0.862 -1.366 -13.647) 13.742 12.165 ( -9.444 3.283 -13.202) 16.561 12.903 ( -0.020 -8.818 -10.027) 13.353 13.119 ( 0.425 0.932 9.380) 9.436 13.380 ( 0.810 5.192 1.420) 5.443 13.510 ( 2.344 5.928 -1.169) 6.481 15.839 ( 5.911 -11.824 -18.218) 22.509 16.385 ( 5.033 8.496 -22.669) 24.727 17.617 ( -8.037 -7.896 17.315) 20.658 19.468 ( -3.472 -18.504 2.635) 19.011 19.847 ( 3.480 -3.759 -1.553) 5.353 20.674 ( -7.916 5.780 -14.790) 17.743 ======================= Grid point 242 (108/312) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 21.601 19.877 29.664) 41.733 2.258 ( 17.748 21.689 32.293) 42.758 3.053 ( -1.235 15.520 16.770) 22.883 3.819 ( 19.096 19.472 60.328) 66.206 4.794 ( -8.288 4.424 -5.498) 10.885 5.458 ( -20.154 7.102 23.253) 31.580 6.106 ( 0.110 -0.485 -26.047) 26.052 6.187 ( 7.931 -0.982 -19.263) 20.855 6.940 ( 0.537 -3.416 -5.830) 6.778 7.104 ( -1.147 -7.253 0.255) 7.347 7.262 ( -1.805 -2.494 3.194) 4.436 7.748 ( 6.769 -3.628 -1.928) 7.918 8.085 ( 2.822 -10.058 -4.493) 11.372 8.299 ( -3.128 -7.869 0.530) 8.485 8.546 ( -4.916 4.236 13.571) 15.042 8.748 ( -5.728 7.292 8.687) 12.706 9.232 ( -0.060 -6.058 8.540) 10.470 9.851 ( -1.846 -3.907 9.462) 10.402 10.018 ( 5.407 12.785 5.581) 14.961 10.314 ( -0.465 19.910 13.366) 23.985 10.723 ( -8.108 6.631 25.528) 27.594 10.886 ( 7.405 -9.153 7.560) 13.992 11.311 ( 1.045 12.017 10.198) 15.796 11.868 ( -3.084 11.864 -12.818) 17.736 11.975 ( -1.887 9.799 -12.065) 15.657 12.073 ( 3.756 -5.940 -17.355) 18.723 12.787 ( -6.967 -4.981 -14.975) 17.251 13.154 ( -0.742 -0.495 10.646) 10.683 13.361 ( -3.267 1.804 2.371) 4.421 13.505 ( -2.889 5.431 -0.123) 6.153 15.950 ( 10.738 -12.035 -15.185) 22.152 16.422 ( 6.875 9.940 -21.947) 25.054 17.514 ( -8.718 -6.005 18.512) 21.325 19.365 ( -9.225 -21.397 6.032) 24.069 19.866 ( -1.220 -1.892 -3.641) 4.281 20.332 ( -17.173 11.387 -7.956) 22.088 ======================= Grid point 243 (109/312) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 19.511 16.636 26.930) 37.184 2.757 ( 19.757 11.809 30.475) 38.190 3.098 ( 0.458 12.940 20.873) 24.563 4.602 ( 26.938 14.723 29.228) 42.387 4.609 ( 3.945 9.048 7.432) 12.356 5.164 ( -17.771 8.593 30.719) 36.515 5.916 ( -4.141 2.523 -40.267) 40.558 6.393 ( 14.519 -6.017 -10.654) 18.988 6.897 ( -4.755 -5.111 -2.683) 7.479 7.069 ( -2.332 -8.164 1.622) 8.644 7.224 ( -1.537 0.558 0.223) 1.650 7.824 ( 0.247 -10.585 -0.060) 10.588 8.120 ( -3.180 -8.245 4.162) 9.768 8.211 ( 4.892 -0.686 -13.438) 14.317 8.565 ( 0.059 6.233 12.910) 14.336 8.643 ( -7.903 3.579 8.650) 12.251 9.315 ( 4.236 -10.613 9.729) 15.008 9.820 ( -4.542 -4.845 7.019) 9.662 10.065 ( -7.968 10.678 5.750) 14.511 10.398 ( 7.149 18.188 11.065) 22.458 10.643 ( -5.213 8.583 15.403) 18.388 10.981 ( -0.677 -4.295 16.841) 17.393 11.382 ( 2.580 6.248 8.841) 11.129 11.765 ( -2.253 13.712 -10.138) 17.201 11.957 ( 1.247 8.926 -11.730) 14.793 12.125 ( 7.077 -4.341 -13.289) 15.669 12.571 ( -8.757 3.742 -15.295) 18.018 13.123 ( -6.165 -1.540 5.997) 8.737 13.263 ( -8.477 1.418 1.938) 8.811 13.438 ( -3.229 2.310 8.333) 9.231 16.112 ( 10.141 -10.449 -15.822) 21.502 16.527 ( 11.833 7.868 -18.518) 23.342 17.411 ( -8.519 -3.723 20.112) 22.157 19.142 ( -15.422 -21.939 7.795) 27.927 19.789 ( -2.807 5.507 -9.410) 11.259 20.089 ( -7.068 4.451 -1.501) 8.486 ======================= Grid point 244 (110/312) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 2.820 5.253 16.958) 17.976 3.242 ( 21.215 20.696 20.597) 36.092 3.327 ( 14.674 7.416 41.239) 44.396 4.413 ( -10.371 6.680 -1.130) 12.388 4.823 ( -17.947 6.061 26.310) 32.420 5.633 ( 30.926 7.144 7.011) 32.505 5.759 ( 12.531 8.123 -17.302) 22.855 6.607 ( 6.645 -11.592 -9.998) 16.688 6.737 ( -5.849 -4.880 0.098) 7.618 7.057 ( 0.463 -6.172 -1.155) 6.296 7.233 ( 3.098 2.974 0.696) 4.350 7.779 ( -4.205 -15.519 2.921) 16.342 8.066 ( -1.065 -7.187 -2.695) 7.749 8.324 ( 6.422 7.220 -9.685) 13.681 8.533 ( -3.895 -1.563 4.098) 5.866 8.599 ( -0.888 9.655 10.597) 14.363 9.415 ( 1.467 -16.577 7.428) 18.224 9.705 ( -11.096 -2.101 2.181) 11.502 9.788 ( -16.185 4.513 3.701) 17.206 10.459 ( -5.423 20.155 15.120) 25.773 10.786 ( 8.333 9.230 23.159) 26.287 11.068 ( 7.685 1.838 15.603) 17.489 11.450 ( 3.150 -2.197 -3.622) 5.279 11.726 ( 0.514 17.534 -7.177) 18.953 11.848 ( -7.495 7.698 -9.397) 14.273 12.245 ( 4.550 1.196 -6.297) 7.860 12.388 ( -3.200 8.980 -11.429) 14.883 12.968 ( -10.642 -1.179 2.063) 10.904 13.077 ( -9.270 1.382 3.422) 9.978 13.446 ( -1.035 -0.468 14.754) 14.798 16.210 ( 6.458 -4.149 -19.582) 21.033 16.749 ( 15.582 -1.337 -15.194) 21.805 17.329 ( -6.891 -0.927 22.781) 23.818 18.869 ( -13.686 -18.660 3.249) 23.368 19.731 ( 0.138 4.675 -9.983) 11.024 19.977 ( -5.125 -0.908 -0.399) 5.221 ======================= Grid point 245 (111/312) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( -3.644 6.195 13.029) 14.880 3.676 ( 13.872 6.883 37.977) 41.013 3.827 ( 18.087 15.878 26.683) 35.934 4.205 ( -9.149 7.131 6.794) 13.443 4.558 ( -17.712 6.703 27.533) 33.418 5.667 ( 8.926 0.622 -36.152) 37.243 6.307 ( 6.169 -4.132 0.282) 7.430 6.482 ( -6.356 -2.644 -5.408) 8.754 6.852 ( 9.553 -10.547 -5.958) 15.427 7.091 ( 4.103 -7.909 0.160) 8.911 7.395 ( 12.452 5.187 6.672) 15.049 7.729 ( 0.422 -14.202 4.542) 14.917 8.045 ( -0.819 -8.564 -0.885) 8.649 8.327 ( -0.513 5.525 -2.898) 6.260 8.578 ( 4.353 -1.662 2.544) 5.309 8.605 ( 0.631 17.968 0.668) 17.991 9.265 ( -18.291 0.335 8.150) 20.027 9.501 ( -5.166 -8.711 -2.657) 10.470 9.622 ( -5.392 -3.820 5.148) 8.376 10.398 ( -6.037 19.805 16.472) 26.457 10.902 ( -5.183 7.214 37.243) 38.288 11.426 ( -3.517 0.467 -11.622) 12.152 11.439 ( 22.662 2.348 3.022) 22.983 11.693 ( 0.983 3.153 -10.712) 11.209 11.774 ( 1.776 17.948 0.508) 18.043 12.066 ( -12.758 16.912 -7.013) 22.315 12.471 ( 5.423 -1.923 -2.249) 6.178 12.756 ( -9.458 0.229 0.611) 9.481 12.976 ( -3.085 2.021 5.369) 6.514 13.472 ( -2.101 -1.040 16.865) 17.028 16.245 ( 4.613 -0.259 -21.327) 21.822 16.927 ( 5.081 -8.941 -15.665) 18.739 17.358 ( 3.403 1.796 26.486) 26.764 18.653 ( -8.669 -16.397 -0.963) 18.573 19.714 ( 1.228 2.063 -9.405) 9.707 19.881 ( -4.247 -2.496 -1.335) 5.104 ======================= Grid point 246 (112/312) ======================= q-point: (-0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -6.545 4.939 13.857) 16.101 3.778 ( -17.726 15.756 9.746) 25.641 3.975 ( -6.374 1.073 46.535) 46.981 4.328 ( 2.872 5.920 24.058) 24.942 4.549 ( 17.550 14.282 23.915) 32.923 5.799 ( 14.758 -1.220 -28.244) 31.891 6.140 ( -21.987 0.173 -17.257) 27.951 6.250 ( -7.786 -11.493 -4.279) 14.526 6.930 ( 1.390 -14.623 -8.257) 16.851 7.172 ( 3.473 -8.257 1.056) 9.020 7.501 ( -1.606 -10.925 -5.287) 12.243 7.754 ( -6.867 -6.786 0.359) 9.661 8.163 ( 7.330 10.055 6.318) 13.955 8.363 ( 4.352 6.184 2.508) 7.967 8.614 ( -1.707 -5.607 8.258) 10.126 8.736 ( 13.082 12.825 -5.436) 19.109 9.064 ( 0.254 10.490 15.724) 18.903 9.390 ( -3.744 -7.001 -4.573) 9.162 9.563 ( -3.644 -4.524 3.782) 6.932 10.321 ( -7.794 19.631 14.041) 25.363 10.889 ( -7.855 5.967 35.265) 36.619 11.363 ( 2.223 2.933 -6.387) 7.371 11.528 ( -16.141 4.478 -7.250) 18.252 11.717 ( 4.845 12.732 -2.725) 13.892 11.921 ( 8.041 2.762 -4.426) 9.585 12.054 ( 18.466 12.038 2.360) 22.170 12.363 ( -12.113 -2.763 -4.423) 13.188 12.755 ( 5.858 2.086 3.752) 7.262 12.964 ( -0.394 3.977 4.183) 5.785 13.471 ( -4.161 -0.637 17.419) 17.920 16.251 ( 3.570 0.388 -21.589) 21.886 16.849 ( -6.142 -7.490 -12.651) 15.933 17.597 ( 9.124 -1.233 25.552) 27.160 18.545 ( -1.215 -15.252 -2.325) 15.475 19.710 ( 1.535 1.091 -8.692) 8.894 19.812 ( -1.934 -2.691 -3.395) 4.745 ======================= Grid point 247 (113/312) ======================= q-point: (-0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -10.928 1.547 16.545) 19.889 3.426 ( -20.624 21.195 11.243) 31.638 3.780 ( -23.365 3.101 43.425) 49.409 4.600 ( 12.421 -1.100 24.452) 27.448 4.994 ( 12.475 15.623 23.644) 30.963 5.450 ( -34.978 5.144 -10.485) 36.877 6.008 ( 11.375 -3.748 -19.002) 22.461 6.197 ( 4.113 -13.152 -7.739) 15.804 6.871 ( -4.581 -15.406 -8.778) 18.314 7.236 ( 2.577 -5.057 0.916) 5.749 7.388 ( -5.562 -9.761 -11.808) 16.298 7.602 ( -6.494 -0.382 0.701) 6.543 8.169 ( -3.427 12.039 6.947) 14.316 8.398 ( -5.807 0.702 -1.795) 6.119 8.554 ( -2.518 1.244 -2.757) 3.935 8.886 ( 4.567 1.854 5.500) 7.386 9.355 ( 2.655 -6.588 0.577) 7.126 9.492 ( 2.043 2.344 6.473) 7.181 9.532 ( 23.484 11.117 10.113) 27.881 10.198 ( -8.538 20.750 10.547) 24.794 10.862 ( -7.677 4.158 35.012) 36.085 11.186 ( -13.892 8.077 -1.907) 16.182 11.435 ( 4.255 0.408 -4.498) 6.205 11.771 ( -0.500 6.192 -1.318) 6.350 11.993 ( -0.840 1.697 -1.650) 2.512 12.152 ( 2.273 -1.874 -11.193) 11.574 12.480 ( 18.757 8.024 -1.223) 20.438 12.888 ( 5.422 1.613 6.698) 8.767 12.981 ( 1.310 6.096 2.192) 6.610 13.429 ( -5.850 0.116 15.526) 16.592 16.236 ( 2.107 -1.764 -20.821) 21.001 16.651 ( -8.456 -4.314 -15.705) 18.351 17.798 ( 1.225 -3.548 26.317) 26.584 18.631 ( 10.810 -15.163 2.872) 18.842 19.725 ( 3.197 2.166 -7.931) 8.821 19.782 ( 0.546 -1.535 -5.705) 5.933 ======================= Grid point 248 (114/312) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( -18.959 1.329 19.480) 27.216 3.092 ( -19.488 20.886 19.203) 34.420 3.441 ( -24.287 8.387 30.671) 40.011 4.479 ( -44.723 7.605 5.904) 45.748 4.888 ( 8.629 -3.382 19.678) 21.751 5.490 ( 12.974 19.998 29.899) 38.239 6.100 ( 6.080 -7.225 -15.489) 18.140 6.308 ( 5.603 -17.314 -10.525) 21.023 6.712 ( -5.625 -6.643 -9.984) 13.246 7.256 ( -1.562 -5.665 -2.192) 6.272 7.292 ( 0.820 -5.356 -6.996) 8.849 7.522 ( -1.998 4.147 -1.934) 4.993 8.147 ( -1.161 5.710 5.120) 7.757 8.194 ( -11.411 -3.259 -1.653) 11.982 8.493 ( -3.322 12.827 -3.263) 13.646 8.993 ( 5.253 -1.605 3.513) 6.520 9.325 ( -5.220 -5.496 0.824) 7.625 9.608 ( 9.819 0.575 13.971) 17.086 10.002 ( 13.302 11.017 3.436) 17.610 10.082 ( -5.837 21.380 9.552) 24.133 10.791 ( -9.988 4.843 32.492) 34.336 11.075 ( 0.820 1.836 3.850) 4.343 11.362 ( -13.828 5.873 0.510) 15.032 11.661 ( -0.784 -8.329 -6.415) 10.542 12.118 ( 11.171 2.463 -8.800) 14.433 12.257 ( 10.050 -0.338 -5.014) 11.237 12.716 ( 5.941 10.655 -8.948) 15.129 13.000 ( 2.625 1.238 12.619) 12.948 13.066 ( 7.353 6.463 1.184) 9.861 13.364 ( -4.459 0.742 9.661) 10.667 16.170 ( -2.871 -8.133 -19.055) 20.916 16.457 ( -3.767 2.262 -20.655) 21.118 17.831 ( -5.254 -5.919 22.673) 24.015 18.955 ( 17.733 -17.837 13.681) 28.632 19.742 ( 1.201 -0.360 -9.883) 9.963 19.852 ( 9.628 7.549 -4.131) 12.913 ======================= Grid point 249 (115/312) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.189 ( -23.433 9.816 21.717) 33.423 2.656 ( -36.068 6.718 20.616) 42.084 3.125 ( -13.204 27.563 16.363) 34.667 3.795 ( -30.946 11.290 39.045) 51.085 5.046 ( 2.124 -2.753 11.177) 11.705 5.803 ( 7.248 13.048 32.346) 35.624 6.138 ( 0.473 -11.773 -19.555) 22.830 6.253 ( -0.838 -9.402 -10.469) 14.096 6.719 ( 7.171 -1.578 -5.585) 9.226 7.188 ( -3.430 -3.818 -2.467) 5.694 7.348 ( 6.242 -4.491 -3.462) 8.433 7.457 ( -4.471 2.040 -8.795) 10.075 8.007 ( -6.605 0.428 -0.250) 6.623 8.168 ( 1.964 4.508 5.293) 7.224 8.418 ( -3.832 12.249 3.292) 13.250 9.118 ( 4.886 -1.935 2.786) 5.948 9.227 ( -3.424 -5.686 -0.717) 6.676 9.855 ( 7.789 -0.963 19.091) 20.642 9.974 ( -4.290 15.129 2.545) 15.930 10.139 ( -1.256 17.107 10.433) 20.076 10.765 ( -5.287 5.796 35.549) 36.404 10.921 ( -18.296 1.853 -4.452) 18.921 11.228 ( 2.382 -4.879 1.969) 5.775 11.720 ( 7.658 1.282 -7.462) 10.768 12.194 ( 1.986 -5.074 -13.468) 14.528 12.503 ( 9.575 -4.869 -0.773) 10.770 12.707 ( 2.198 17.572 -14.908) 23.149 13.064 ( -1.791 1.949 17.901) 18.095 13.215 ( 6.593 5.091 -0.057) 8.330 13.362 ( 2.851 2.300 1.400) 3.922 16.003 ( -6.095 -11.938 -19.318) 23.513 16.381 ( 2.540 6.361 -22.597) 23.613 17.781 ( -6.888 -7.687 19.637) 22.184 19.316 ( 12.006 -24.108 14.938) 30.798 19.733 ( 1.962 1.066 -10.075) 10.319 20.146 ( 21.854 13.163 -1.156) 25.538 ======================= Grid point 250 (116/312) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -26.304 14.792 22.601) 37.703 2.079 ( -22.332 24.798 26.324) 42.504 3.018 ( -6.136 26.996 23.019) 36.004 3.508 ( -16.862 10.106 53.881) 57.355 5.052 ( -3.467 -1.490 2.999) 4.820 5.916 ( -5.637 6.091 13.352) 15.721 6.040 ( -1.788 -9.175 0.452) 9.358 6.286 ( 5.118 -1.503 -19.367) 20.088 6.846 ( 6.210 -3.197 -3.480) 7.804 7.156 ( 1.725 -1.462 0.044) 2.262 7.296 ( -7.422 -3.209 -9.769) 12.682 7.500 ( 9.791 -0.965 -3.819) 10.553 7.940 ( -0.083 -2.536 2.304) 3.427 8.235 ( 2.446 5.093 -5.288) 7.738 8.415 ( 1.154 9.183 21.650) 23.546 9.064 ( -7.196 -0.104 -1.736) 7.403 9.275 ( 2.759 -8.020 3.252) 9.084 9.911 ( -0.228 12.757 0.298) 12.762 9.982 ( -7.041 1.030 21.512) 22.658 10.153 ( 1.868 15.847 12.849) 20.487 10.625 ( -7.608 0.655 1.338) 7.752 10.793 ( -4.814 7.376 33.840) 34.968 11.258 ( 0.718 -3.813 -2.386) 4.555 11.856 ( 7.931 6.784 -9.592) 14.175 12.147 ( -1.462 -5.327 -13.426) 14.518 12.413 ( -10.370 9.408 -9.832) 17.109 12.848 ( 9.217 -3.447 -9.006) 13.340 13.080 ( -0.890 2.074 13.189) 13.381 13.323 ( 4.351 6.725 1.173) 8.095 13.444 ( 4.441 4.202 -1.207) 6.231 15.857 ( -1.174 -12.028 -19.921) 23.300 16.373 ( 4.215 7.260 -22.696) 24.199 17.706 ( -7.307 -8.502 17.716) 20.965 19.479 ( 1.651 -21.882 6.255) 22.818 19.771 ( 4.645 -0.482 -5.280) 7.049 20.587 ( 19.742 7.434 -7.521) 22.396 ======================= Grid point 251 (117/312) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 7.739 31.140 24.937) 40.638 2.554 ( -0.013 26.477 26.172) 37.229 3.430 ( -6.350 16.597 22.112) 28.367 4.032 ( 4.246 41.128 35.084) 54.225 5.000 ( -3.677 3.425 1.819) 5.345 5.865 ( 1.647 -6.749 -5.083) 8.608 5.913 ( -8.058 1.603 20.153) 21.764 6.245 ( 1.493 -2.348 -18.143) 18.355 6.874 ( 1.869 -3.870 -6.334) 7.655 7.017 ( -4.846 -4.655 -10.557) 12.514 7.176 ( 1.440 -1.834 -4.745) 5.287 7.674 ( 7.125 1.879 -3.426) 8.126 7.807 ( -3.577 -9.385 2.902) 10.455 8.253 ( -3.014 -0.794 -3.963) 5.041 8.697 ( -3.441 8.697 15.223) 17.866 9.027 ( -5.006 12.302 6.537) 14.803 9.168 ( -0.428 -2.793 4.170) 5.037 9.845 ( -7.927 -2.220 8.266) 11.666 10.236 ( 2.639 15.508 7.008) 17.221 10.408 ( 9.862 -3.928 3.753) 11.260 10.871 ( -1.577 24.356 13.202) 27.749 10.910 ( -3.238 5.969 17.303) 18.588 11.394 ( 5.153 4.710 2.876) 7.550 11.758 ( 1.580 -16.368 -10.554) 19.539 12.023 ( -6.718 -1.122 -1.141) 6.906 12.417 ( -2.013 3.500 -3.203) 5.154 12.797 ( -3.799 2.866 -0.299) 4.768 13.129 ( -1.063 0.598 11.542) 11.606 13.525 ( -1.606 8.456 -0.304) 8.613 13.634 ( 1.863 7.038 -0.619) 7.306 15.565 ( 5.909 -15.838 -16.228) 23.433 16.523 ( 5.697 3.122 -20.038) 21.065 17.422 ( -6.270 -9.820 15.021) 19.010 19.057 ( -3.587 -20.896 7.672) 22.547 19.862 ( 3.902 3.534 -11.532) 12.677 20.702 ( -2.286 -2.556 -22.667) 22.925 ======================= Grid point 252 (118/312) ======================= q-point: ( 0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( 20.840 26.707 24.104) 41.575 2.705 ( 6.050 22.436 26.664) 35.369 3.409 ( -2.868 19.048 19.563) 27.454 4.404 ( 21.570 37.255 36.360) 56.350 4.908 ( -6.381 6.811 0.522) 9.348 5.654 ( -15.635 12.345 11.820) 23.164 6.034 ( 8.107 -9.128 4.682) 13.075 6.169 ( -1.651 0.864 -27.539) 27.602 6.805 ( -2.946 -9.797 -6.473) 12.106 6.959 ( -3.349 -8.338 -1.399) 9.094 7.196 ( 2.068 -2.936 -3.801) 5.229 7.708 ( 0.441 0.744 -6.324) 6.383 7.806 ( 1.813 -15.525 3.599) 16.039 8.166 ( -5.153 -6.533 -5.215) 9.819 8.658 ( -1.801 5.041 4.184) 6.794 8.949 ( -7.791 14.758 15.888) 23.042 9.178 ( 0.312 0.924 4.694) 4.795 9.785 ( -2.423 -2.695 7.805) 8.605 10.341 ( 5.625 18.417 3.941) 19.656 10.559 ( 0.721 -4.696 3.388) 5.836 10.856 ( -2.375 6.515 22.544) 23.586 10.948 ( 0.898 20.778 6.770) 21.872 11.494 ( 3.436 4.568 5.538) 7.959 11.746 ( 0.219 -11.968 -9.531) 15.301 11.922 ( 0.430 -0.800 0.081) 0.912 12.357 ( -3.480 6.597 -5.284) 9.141 12.740 ( -1.753 5.259 -1.434) 5.726 13.139 ( -2.348 -0.690 11.149) 11.414 13.465 ( -4.460 8.030 0.853) 9.225 13.606 ( -4.714 5.257 0.853) 7.113 15.682 ( 11.184 -15.525 -15.245) 24.465 16.568 ( 5.958 2.609 -19.855) 20.893 17.361 ( -5.194 -7.581 14.814) 17.433 18.949 ( -10.102 -19.842 7.578) 23.520 19.878 ( 1.507 2.429 -11.107) 11.469 20.457 ( -12.955 2.012 -18.252) 22.473 ======================= Grid point 253 (119/312) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.912 ( 7.667 16.220 20.837) 27.497 3.077 ( 20.611 19.131 26.841) 38.875 3.466 ( 2.802 23.346 18.778) 30.091 4.760 ( -9.062 8.740 1.841) 12.724 5.005 ( 19.979 19.117 21.482) 35.015 5.456 ( -2.561 21.504 21.135) 30.260 6.002 ( -4.128 6.802 -29.134) 30.201 6.219 ( 9.250 -11.139 -1.110) 14.522 6.733 ( -5.569 -11.230 -2.368) 12.757 6.871 ( -2.129 -11.440 2.793) 11.967 7.230 ( 2.932 -0.870 -4.570) 5.499 7.626 ( -6.436 -8.396 -2.655) 10.907 7.906 ( 2.235 -11.777 5.954) 13.385 8.096 ( 4.848 -9.844 -9.600) 14.580 8.654 ( -0.729 1.335 -1.301) 2.001 8.832 ( -8.712 14.272 13.786) 21.671 9.199 ( 0.215 0.468 3.245) 3.286 9.743 ( -5.318 -2.955 5.899) 8.474 10.296 ( -13.751 9.753 2.285) 17.012 10.629 ( 11.500 2.510 -1.116) 11.824 10.934 ( 1.228 2.504 18.823) 19.028 10.985 ( -0.289 24.454 13.042) 27.716 11.517 ( -2.854 5.947 7.390) 9.906 11.804 ( 8.630 -2.019 -3.616) 9.572 12.039 ( 9.230 -0.501 2.178) 9.497 12.222 ( -8.308 5.310 -7.032) 12.111 12.717 ( -0.487 12.430 -1.796) 12.568 13.093 ( -6.253 -1.292 7.811) 10.088 13.359 ( -7.883 9.211 2.697) 12.420 13.489 ( -6.437 3.047 5.764) 9.162 15.874 ( 13.306 -14.323 -14.942) 24.606 16.618 ( 5.908 -0.953 -18.772) 19.703 17.325 ( -3.526 -3.537 14.352) 15.197 18.730 ( -14.307 -19.232 6.673) 24.882 19.845 ( -0.638 1.746 -12.035) 12.178 20.164 ( -10.947 2.328 -11.636) 16.145 ======================= Grid point 254 (120/312) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 2.738 11.765 13.470) 18.092 3.523 ( 12.166 12.456 37.475) 41.322 3.715 ( 19.395 25.941 13.711) 35.173 4.574 ( -11.680 9.151 7.058) 16.431 4.985 ( -13.868 9.636 10.754) 20.020 5.722 ( 4.450 2.561 -27.538) 28.012 6.010 ( 13.979 10.870 13.470) 22.249 6.353 ( 5.216 -11.900 0.026) 12.993 6.607 ( -2.723 -8.105 0.457) 8.562 6.947 ( 7.838 -1.225 -1.389) 8.053 7.293 ( 5.435 2.067 -1.709) 6.060 7.481 ( -6.363 -14.394 0.357) 15.742 7.889 ( -2.571 -10.257 2.179) 10.797 8.279 ( 11.972 -11.427 -2.617) 16.756 8.550 ( -9.216 4.095 2.486) 10.387 8.772 ( 0.358 3.744 -1.766) 4.155 9.204 ( -0.260 -1.199 -0.536) 1.339 9.621 ( -8.036 -3.720 3.881) 9.668 9.988 ( -17.331 12.751 4.690) 22.021 10.863 ( 6.564 8.522 5.624) 12.138 11.028 ( -0.006 21.614 19.480) 29.097 11.049 ( 7.825 1.104 12.463) 14.757 11.501 ( 0.403 5.947 2.464) 6.450 11.971 ( 4.440 6.616 3.752) 8.807 12.004 ( -7.884 6.681 -9.530) 14.058 12.251 ( 10.188 -0.208 5.414) 11.539 12.669 ( -4.882 17.584 -4.471) 18.789 12.950 ( -9.821 -0.214 3.109) 10.303 13.187 ( -9.042 11.516 6.567) 16.046 13.442 ( -2.329 0.559 12.105) 12.340 16.072 ( 11.865 -10.663 -16.037) 22.620 16.667 ( 4.951 -8.313 -15.921) 18.631 17.329 ( -0.634 1.335 13.946) 14.024 18.473 ( -13.276 -19.958 3.904) 24.286 19.785 ( -0.883 0.973 -12.897) 12.964 19.959 ( -7.239 -0.921 -7.645) 10.569 ======================= Grid point 255 (121/312) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.112 ( -2.853 12.086 9.922) 15.895 3.847 ( 8.914 11.169 38.368) 40.943 4.218 ( 21.134 21.509 13.597) 33.078 4.370 ( -9.308 9.214 14.764) 19.736 4.734 ( -15.214 10.072 13.464) 22.676 5.682 ( 6.463 0.414 -32.690) 33.326 6.050 ( -7.802 -17.358 1.020) 19.058 6.455 ( -2.654 -5.774 1.153) 6.458 6.626 ( 2.090 -13.030 -3.997) 13.788 7.022 ( 1.595 3.976 -14.138) 14.773 7.323 ( -1.109 -9.512 -1.291) 9.663 7.608 ( 8.443 -4.952 9.002) 13.298 7.911 ( 11.047 -2.456 8.184) 13.966 8.439 ( -0.831 5.297 4.540) 7.025 8.458 ( 4.868 -8.313 3.661) 10.306 8.791 ( 3.752 -1.032 -10.918) 11.591 9.184 ( -0.150 -5.829 -8.654) 10.435 9.489 ( -7.703 6.235 8.928) 13.339 9.702 ( -12.707 13.504 8.537) 20.414 10.879 ( -5.254 24.796 15.799) 29.867 11.069 ( -5.083 10.030 28.861) 30.974 11.326 ( 12.895 -3.991 -2.063) 13.655 11.588 ( 9.739 6.125 -0.366) 11.511 11.763 ( -9.574 5.664 -5.527) 12.421 12.086 ( 1.820 9.402 1.983) 9.780 12.401 ( -2.065 -5.232 2.143) 6.019 12.499 ( -5.529 26.326 -2.836) 27.049 12.788 ( -5.067 3.633 1.640) 6.447 13.114 ( -1.879 13.524 10.280) 17.091 13.451 ( -2.017 -0.639 15.089) 15.236 16.202 ( 7.303 -5.606 -18.408) 20.582 16.686 ( 1.485 -15.028 -12.475) 19.587 17.412 ( 4.526 3.451 14.836) 15.891 18.266 ( -8.510 -21.382 0.687) 23.024 19.733 ( 0.238 -0.365 -12.762) 12.769 19.822 ( -4.350 -3.121 -6.929) 8.756 ======================= Grid point 256 (122/312) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -7.379 12.119 10.167) 17.455 4.059 ( -6.539 8.631 41.894) 43.270 4.114 ( -11.764 16.291 4.840) 20.669 4.491 ( -5.225 9.276 19.699) 22.392 4.855 ( 24.190 15.574 19.358) 34.677 5.767 ( 11.210 -2.584 -24.299) 26.885 5.902 ( -5.352 -18.845 -5.195) 20.267 6.133 ( -24.829 -5.002 -10.791) 27.530 6.636 ( 0.202 -14.636 -6.196) 15.895 7.039 ( 4.421 -3.197 -7.614) 9.367 7.292 ( -2.429 -8.649 -5.936) 10.767 7.573 ( -4.795 -12.487 -1.178) 13.428 8.304 ( 12.072 -5.314 12.026) 17.849 8.478 ( -1.216 -1.480 1.473) 2.417 8.547 ( 4.789 15.223 8.946) 18.295 8.843 ( 3.654 -0.787 -4.741) 6.037 9.163 ( 3.625 -10.731 -17.973) 21.244 9.452 ( 4.395 22.821 22.414) 32.287 9.602 ( -1.563 7.496 5.033) 9.164 10.813 ( -6.989 28.618 15.006) 33.061 11.016 ( -8.792 6.347 24.158) 26.480 11.436 ( 0.069 1.522 2.596) 3.010 11.592 ( -7.568 2.605 -5.596) 9.765 11.842 ( 10.407 3.455 1.653) 11.089 12.035 ( -4.558 4.146 0.242) 6.167 12.216 ( -9.849 -1.806 -0.567) 10.029 12.512 ( 5.715 23.108 -3.107) 24.006 12.826 ( 5.418 6.434 5.784) 10.208 13.144 ( 0.759 15.059 9.723) 17.942 13.455 ( -3.325 -0.770 16.519) 16.868 16.227 ( 1.945 -4.435 -19.413) 20.007 16.629 ( -2.730 -14.403 -12.624) 19.346 17.592 ( 6.865 0.989 17.946) 19.239 18.167 ( -0.752 -21.906 -1.011) 21.942 19.714 ( 2.475 -0.862 -12.280) 12.557 19.745 ( -0.943 -3.720 -8.130) 8.990 ======================= Grid point 257 (123/312) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( -11.211 12.062 12.365) 20.593 3.836 ( -21.186 16.170 10.840) 28.772 3.906 ( -15.599 13.091 32.459) 38.318 4.640 ( 8.466 3.990 22.085) 23.986 5.231 ( -6.827 7.280 4.536) 10.963 5.636 ( -4.290 10.990 2.003) 11.967 5.832 ( -0.962 -18.409 -6.233) 19.459 5.945 ( 10.593 -4.639 -13.921) 18.097 6.589 ( -2.147 -12.912 -6.658) 14.685 7.105 ( 3.089 -7.468 -7.802) 11.234 7.194 ( -2.412 -8.201 -6.138) 10.524 7.524 ( -0.067 -7.491 -3.341) 8.203 8.277 ( -9.741 -11.531 4.120) 15.647 8.496 ( -8.312 20.231 7.551) 23.139 8.629 ( 8.419 5.794 3.096) 10.679 8.877 ( 0.863 -3.779 0.829) 3.964 9.222 ( 6.531 -5.887 -9.750) 13.129 9.601 ( -0.132 9.385 4.391) 10.363 9.856 ( 23.588 19.192 16.452) 34.575 10.703 ( -8.321 29.131 9.354) 31.707 10.945 ( -6.420 3.902 24.337) 25.470 11.308 ( -12.977 2.807 -4.274) 13.948 11.492 ( 0.182 4.009 5.317) 6.661 11.752 ( -16.765 -6.158 3.512) 18.202 12.090 ( 5.308 3.844 -1.564) 6.738 12.130 ( 2.592 2.453 -0.804) 3.658 12.712 ( 14.216 14.642 -3.507) 20.708 12.957 ( 4.985 7.122 7.164) 11.265 13.199 ( 1.989 16.016 7.863) 17.953 13.430 ( -4.789 0.160 15.769) 16.481 16.143 ( -4.211 -9.229 -18.318) 20.940 16.526 ( -1.849 -8.301 -16.385) 18.461 17.714 ( -1.678 -4.916 17.148) 17.917 18.281 ( 12.113 -18.926 4.086) 22.839 19.719 ( 2.052 -2.252 -12.294) 12.666 19.771 ( 7.281 -0.226 -9.570) 12.027 ======================= Grid point 258 (124/312) ======================= q-point: (-0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( -13.328 14.618 14.746) 24.673 3.391 ( -29.115 11.685 17.048) 35.705 3.740 ( -11.743 18.978 24.507) 33.146 4.679 ( -27.056 11.672 -2.858) 29.605 4.899 ( 3.221 4.599 21.456) 22.179 5.805 ( 1.929 -16.168 -6.714) 17.613 5.861 ( 7.698 -3.032 3.368) 8.933 6.101 ( 7.565 11.106 5.264) 14.432 6.562 ( 3.125 -8.551 -6.554) 11.218 7.068 ( 0.514 -10.454 -11.061) 15.228 7.234 ( 3.805 -3.080 -0.559) 4.927 7.516 ( 0.213 -4.401 -6.078) 7.507 8.099 ( -8.513 -6.811 2.964) 11.298 8.349 ( -7.828 15.454 6.975) 18.675 8.750 ( 2.616 11.955 0.486) 12.248 8.916 ( 4.043 -6.527 -2.388) 8.041 9.268 ( -1.564 -0.019 -0.274) 1.588 9.667 ( 5.794 6.083 9.130) 12.407 10.267 ( 11.058 15.328 3.127) 19.157 10.592 ( -4.904 27.345 8.513) 29.056 10.899 ( -8.073 5.270 26.245) 27.960 11.112 ( -3.309 1.458 -0.832) 3.711 11.378 ( -20.986 -5.538 2.165) 21.812 11.556 ( 4.250 -0.744 3.271) 5.415 12.142 ( 1.626 0.527 -1.668) 2.388 12.245 ( 7.199 0.080 0.240) 7.204 12.954 ( 9.460 12.067 -3.067) 15.637 13.045 ( 1.439 4.301 10.713) 11.634 13.293 ( 5.721 16.237 4.390) 17.766 13.388 ( -3.502 1.843 11.086) 11.771 15.950 ( -8.543 -14.565 -17.995) 24.677 16.466 ( 1.866 -2.434 -19.053) 19.298 17.677 ( -6.413 -8.998 14.698) 18.388 18.590 ( 15.100 -18.335 10.137) 25.825 19.731 ( 3.582 -0.440 -13.365) 13.844 19.955 ( 15.482 2.537 -9.867) 18.534 ======================= Grid point 259 (125/312) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( -14.964 20.248 14.624) 29.116 2.858 ( -29.264 14.021 18.596) 37.400 3.609 ( -10.307 18.640 23.733) 31.889 4.199 ( -21.137 29.286 15.138) 39.162 5.030 ( 1.422 1.000 13.911) 14.019 5.774 ( -0.623 -22.082 -6.309) 22.974 5.975 ( 4.454 -5.797 -0.997) 7.378 6.234 ( 2.506 14.033 8.105) 16.398 6.662 ( 7.789 -3.143 -5.681) 10.140 7.105 ( 6.163 -5.122 -7.874) 11.234 7.287 ( 2.181 -1.652 3.170) 4.187 7.444 ( -5.703 -2.354 -11.049) 12.655 7.997 ( -4.113 -1.985 3.993) 6.066 8.280 ( -0.378 7.593 4.152) 8.663 8.734 ( -4.354 18.876 3.325) 19.655 9.013 ( 5.917 -7.920 -0.562) 9.903 9.200 ( -3.797 2.645 -0.267) 4.635 9.844 ( 6.603 0.157 14.941) 16.336 10.292 ( -3.449 16.493 -3.622) 17.235 10.505 ( -10.315 13.509 6.599) 18.233 10.884 ( -2.418 4.530 24.492) 25.025 11.011 ( -14.568 9.056 4.648) 17.772 11.158 ( 4.657 0.422 1.803) 5.011 11.666 ( 6.002 -6.328 -0.591) 8.742 12.142 ( -1.099 -0.324 -0.588) 1.288 12.382 ( 6.301 -6.582 -1.095) 9.177 12.983 ( -3.407 9.994 1.091) 10.615 13.118 ( -1.100 3.436 14.263) 14.713 13.409 ( 6.395 10.988 -2.012) 12.871 13.436 ( 5.133 8.493 4.247) 10.794 15.726 ( -7.268 -16.385 -18.216) 25.556 16.461 ( 4.106 0.419 -19.743) 20.170 17.591 ( -7.326 -10.210 14.630) 19.286 18.876 ( 9.962 -20.823 10.523) 25.369 19.765 ( 4.644 2.199 -13.733) 14.663 20.293 ( 21.928 2.391 -11.944) 25.085 ======================= Grid point 260 (126/312) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -16.697 26.466 16.966) 35.596 2.552 ( -9.873 23.779 24.874) 35.799 3.501 ( -9.011 16.407 24.025) 30.456 3.979 ( -9.294 38.735 27.874) 48.618 5.047 ( -2.350 0.750 5.691) 6.203 5.785 ( 2.715 -17.290 1.427) 17.559 6.015 ( -1.850 -0.153 3.148) 3.654 6.260 ( 0.403 2.576 -3.842) 4.643 6.787 ( 7.253 -2.150 -6.855) 10.209 7.168 ( 1.910 0.072 -6.859) 7.120 7.224 ( -9.942 -2.003 -12.516) 16.109 7.452 ( 11.814 -1.550 5.727) 13.220 7.909 ( -5.856 -1.433 0.411) 6.043 8.313 ( -0.042 3.287 -2.226) 3.970 8.674 ( -2.670 16.755 15.630) 23.068 9.097 ( -0.473 -1.721 1.003) 2.047 9.146 ( -0.124 0.971 1.174) 1.529 9.968 ( -2.528 -0.147 15.791) 15.993 10.208 ( -3.758 7.545 1.848) 8.629 10.315 ( -3.891 5.021 -0.720) 6.393 10.855 ( -2.734 19.733 6.835) 21.061 10.924 ( -4.381 6.553 25.947) 27.118 11.275 ( 6.352 5.141 0.429) 8.183 11.750 ( 3.101 -13.397 -5.694) 14.884 12.107 ( -2.239 0.530 -0.605) 2.379 12.450 ( 0.789 -6.322 -2.266) 6.762 12.890 ( -5.723 7.324 1.341) 9.390 13.117 ( -2.209 2.040 12.503) 12.860 13.520 ( 2.230 9.552 0.625) 9.828 13.547 ( 7.044 8.783 -1.870) 11.413 15.577 ( -1.356 -16.275 -17.468) 23.913 16.485 ( 5.186 2.112 -19.943) 20.714 17.501 ( -7.029 -10.495 14.948) 19.570 19.035 ( 3.070 -21.722 8.757) 23.621 19.815 ( 4.976 3.828 -12.879) 14.328 20.636 ( 15.923 -2.062 -18.580) 24.556 ======================= Grid point 261 (127/312) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 7.515 33.394 19.075) 39.185 3.040 ( -0.357 23.838 19.919) 31.067 3.719 ( -4.534 13.843 27.068) 30.738 4.803 ( 7.577 32.100 7.350) 33.791 5.056 ( 0.088 1.217 4.336) 4.504 5.550 ( 6.317 -18.058 13.986) 23.698 5.904 ( 1.019 -9.485 -5.882) 11.207 6.282 ( -3.441 4.698 -0.144) 5.825 6.774 ( -3.865 -3.318 -3.188) 6.009 6.985 ( -5.221 1.338 -14.515) 15.483 7.174 ( -1.298 0.858 -11.943) 12.044 7.565 ( -2.653 -9.404 11.328) 14.960 7.902 ( -1.063 17.245 -4.896) 17.958 8.261 ( -7.985 2.609 -8.304) 11.812 8.835 ( -6.798 4.114 -2.071) 8.211 9.166 ( 5.451 3.782 4.127) 7.814 9.363 ( -3.173 20.686 14.559) 25.494 9.771 ( -7.206 -5.869 3.476) 9.922 10.223 ( 11.197 -7.523 10.971) 17.387 10.603 ( 0.757 13.670 0.213) 13.692 10.922 ( -1.791 -3.852 9.004) 9.956 11.116 ( 3.633 -11.024 -9.760) 15.165 11.401 ( -0.797 -3.346 -0.357) 3.458 11.587 ( 0.913 5.853 12.561) 13.888 12.113 ( -6.113 9.525 20.408) 23.336 12.315 ( -1.383 -7.293 3.926) 8.397 12.996 ( -4.698 14.432 9.343) 17.823 13.160 ( -2.280 3.297 11.857) 12.516 13.627 ( -0.694 2.331 0.173) 2.439 13.845 ( -1.323 14.597 2.528) 14.873 15.240 ( 5.355 -16.858 -13.584) 22.303 16.372 ( 2.096 -20.139 -4.625) 20.769 17.372 ( -1.902 6.521 1.426) 6.941 18.674 ( -1.487 -18.713 2.228) 18.903 19.960 ( 4.390 6.266 -17.900) 19.467 20.601 ( 1.332 -7.176 -26.182) 27.180 ======================= Grid point 262 (128/312) ======================= q-point: ( 0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 12.090 26.618 18.082) 34.376 3.135 ( 5.165 22.463 20.079) 30.568 3.780 ( 2.010 19.180 23.904) 30.714 5.035 ( -2.944 5.897 5.411) 8.528 5.057 ( 12.900 24.835 9.700) 29.619 5.740 ( 8.026 -14.161 9.799) 18.999 5.850 ( -4.056 -2.914 -1.869) 5.332 6.265 ( 2.042 8.872 1.014) 9.160 6.627 ( -8.251 -5.121 -6.197) 11.520 6.804 ( -9.168 -5.510 -7.705) 13.183 7.142 ( 1.273 -2.939 -8.876) 9.436 7.541 ( -0.942 -9.729 6.467) 11.720 7.820 ( -5.113 9.460 -7.797) 13.282 8.070 ( -8.279 -1.877 -10.196) 13.267 8.717 ( -3.374 1.811 -4.600) 5.985 9.228 ( -3.234 7.182 2.746) 8.342 9.317 ( -3.448 17.035 12.891) 21.640 9.751 ( 0.638 -0.505 7.691) 7.733 10.350 ( -2.954 -13.910 3.040) 14.541 10.656 ( 2.772 11.031 0.121) 11.375 10.926 ( 0.864 -0.622 15.158) 15.195 11.157 ( 6.517 -6.679 -11.456) 14.776 11.506 ( 10.344 -6.398 -2.327) 12.383 11.646 ( 1.217 12.912 14.623) 19.546 12.084 ( -3.888 13.244 22.931) 26.765 12.283 ( -3.507 -7.312 4.514) 9.281 12.970 ( -1.572 13.767 9.206) 16.636 13.148 ( -3.275 2.640 10.497) 11.309 13.588 ( -3.133 4.070 1.091) 5.250 13.789 ( -5.304 14.889 2.818) 16.055 15.350 ( 10.595 -18.038 -13.713) 25.014 16.391 ( 1.150 -21.737 -3.315) 22.019 17.352 ( -0.397 7.896 -0.317) 7.912 18.595 ( -7.444 -17.074 1.698) 18.703 19.953 ( 1.020 5.161 -17.033) 17.827 20.437 ( -8.224 -3.516 -23.788) 25.414 ======================= Grid point 263 (129/312) ======================= q-point: ( 0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 3.932 17.889 13.515) 22.763 3.457 ( 12.841 18.951 24.458) 33.500 3.955 ( 8.657 26.147 16.673) 32.196 4.926 ( -9.347 7.865 9.227) 15.309 5.276 ( 2.122 9.241 -0.431) 9.491 5.755 ( -1.383 0.985 -5.470) 5.728 5.957 ( 9.697 -10.069 10.048) 17.216 6.271 ( -6.603 13.664 -5.634) 16.188 6.487 ( -3.602 -13.466 -4.535) 14.658 6.710 ( 6.821 -0.726 11.290) 13.210 7.156 ( 2.640 -5.541 -6.075) 8.636 7.510 ( -6.336 -4.131 -3.034) 8.149 7.734 ( -1.223 -4.444 0.612) 4.649 7.924 ( 0.224 -5.296 -12.506) 13.583 8.662 ( -1.578 0.446 -3.768) 4.109 9.057 ( -12.052 8.050 0.449) 14.500 9.320 ( -1.497 8.176 0.059) 8.312 9.740 ( -6.053 4.893 8.883) 11.811 10.246 ( -4.701 -14.503 -0.281) 15.249 10.692 ( 3.893 4.323 -2.983) 6.538 11.019 ( 1.293 4.094 18.540) 19.031 11.336 ( 11.691 4.063 -1.570) 12.476 11.633 ( 0.861 7.739 9.699) 12.438 11.820 ( 12.510 6.816 5.126) 15.141 12.116 ( -1.537 5.862 20.323) 21.207 12.215 ( -4.571 -0.985 7.261) 8.636 12.981 ( -0.744 11.819 8.241) 14.427 13.090 ( -6.041 2.163 7.357) 9.762 13.534 ( -2.832 6.948 4.165) 8.581 13.669 ( -7.745 18.581 3.949) 20.514 15.546 ( 14.092 -19.122 -14.064) 27.605 16.393 ( 0.220 -22.465 -2.821) 22.642 17.355 ( 1.165 7.233 -1.985) 7.590 18.403 ( -12.370 -14.822 0.828) 19.324 19.889 ( -1.549 3.066 -16.320) 16.678 20.174 ( -10.213 -1.096 -19.199) 21.774 ======================= Grid point 264 (130/312) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( 2.616 15.995 9.292) 18.682 3.784 ( 11.300 13.434 30.774) 35.429 4.226 ( 15.012 26.241 10.015) 31.848 4.749 ( -12.747 8.455 14.536) 21.101 5.155 ( -10.377 6.944 -5.203) 13.527 5.684 ( -2.757 -8.516 -14.405) 16.959 6.039 ( -11.966 -0.969 -7.701) 14.263 6.184 ( 7.902 -8.948 9.202) 15.073 6.411 ( -2.196 -11.679 -2.159) 12.078 7.116 ( 21.030 9.366 11.981) 25.952 7.201 ( 3.446 -12.288 3.726) 13.295 7.314 ( -7.799 2.201 -17.431) 19.223 7.694 ( -1.869 -8.349 5.435) 10.137 8.049 ( 12.907 -7.832 -6.092) 16.280 8.604 ( -3.952 0.660 -1.160) 4.171 8.850 ( -5.445 7.637 -7.540) 12.034 9.209 ( -8.363 -3.475 -7.619) 11.834 9.652 ( -3.368 8.021 7.137) 11.252 10.168 ( -6.117 2.899 6.929) 9.687 10.828 ( 10.250 -3.184 0.029) 10.734 11.110 ( 1.180 3.471 21.238) 21.552 11.507 ( 5.136 11.837 2.777) 13.199 11.661 ( -1.928 16.323 14.926) 22.203 12.027 ( -0.459 -2.427 -3.912) 4.627 12.078 ( 1.144 5.246 11.117) 12.345 12.255 ( 2.038 0.370 17.209) 17.333 12.976 ( -6.816 3.050 4.547) 8.742 12.980 ( -2.013 12.235 5.209) 13.449 13.513 ( -1.678 9.522 8.111) 12.620 13.549 ( -5.626 24.806 7.079) 26.403 15.779 ( 14.166 -19.281 -14.177) 27.811 16.381 ( -0.374 -21.885 -3.530) 22.172 17.387 ( 3.037 4.814 -2.276) 6.130 18.145 ( -13.629 -13.432 -0.231) 19.137 19.795 ( -2.217 0.685 -15.734) 15.905 19.937 ( -7.799 -1.357 -15.849) 17.716 ======================= Grid point 265 (131/312) ======================= q-point: ( 0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -1.509 16.471 7.064) 17.985 4.092 ( 9.096 12.766 32.277) 35.882 4.545 ( -12.807 8.274 18.987) 24.351 4.619 ( 21.273 19.280 8.404) 29.914 4.897 ( -14.320 6.121 -2.607) 15.790 5.593 ( -1.865 -12.425 -9.359) 15.667 5.806 ( -7.229 -3.985 -13.489) 15.814 6.279 ( -2.375 -10.079 3.604) 10.964 6.349 ( -2.939 -14.137 -5.509) 15.454 7.095 ( -5.159 -1.984 -11.284) 12.565 7.267 ( 5.009 2.887 -12.625) 13.886 7.341 ( -4.603 -16.336 2.477) 17.152 7.861 ( 11.849 -6.486 14.489) 19.809 8.313 ( 14.647 -1.855 -2.015) 14.901 8.573 ( 4.402 2.524 -0.140) 5.076 8.845 ( 7.064 11.944 -5.705) 15.003 9.003 ( -7.964 -10.474 -12.038) 17.834 9.668 ( 2.105 10.218 6.482) 12.282 10.039 ( -10.399 17.160 15.929) 25.619 11.023 ( 6.110 -4.510 7.203) 10.467 11.203 ( 1.124 1.038 20.725) 20.782 11.560 ( -1.275 18.114 4.939) 18.818 11.658 ( -4.059 5.338 16.859) 18.144 11.920 ( -2.739 9.505 -1.250) 9.971 12.155 ( -1.130 0.350 2.617) 2.872 12.273 ( -5.701 -6.747 9.659) 13.089 12.885 ( -4.070 6.597 2.580) 8.169 12.985 ( 2.733 17.128 5.794) 18.287 13.508 ( -2.935 14.644 14.769) 21.004 13.521 ( -0.232 24.052 6.800) 24.996 15.963 ( 8.760 -19.512 -14.305) 25.731 16.357 ( -0.423 -19.731 -5.552) 20.502 17.469 ( 6.234 1.933 0.030) 6.527 17.903 ( -10.318 -13.964 -1.582) 17.434 19.709 ( -1.023 -1.509 -14.613) 14.726 19.772 ( -3.681 -2.083 -15.413) 15.983 ======================= Grid point 266 (132/312) ======================= q-point: (-0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( -6.422 17.577 7.209) 20.054 4.288 ( -7.468 14.426 32.576) 36.402 4.398 ( -3.811 11.153 11.246) 16.291 4.621 ( -10.331 3.869 6.472) 12.791 5.104 ( 22.332 9.201 9.839) 26.080 5.506 ( -6.409 -17.991 0.240) 19.100 5.736 ( 6.681 -3.280 -19.115) 20.513 6.025 ( -17.427 -3.632 -7.263) 19.226 6.345 ( 1.634 -15.586 -6.099) 16.817 7.015 ( -1.127 -2.842 -9.998) 10.455 7.198 ( -5.248 -7.287 -7.762) 11.870 7.322 ( 3.542 -4.040 -5.935) 8.005 8.028 ( 1.226 -15.580 11.195) 19.224 8.521 ( 8.860 2.771 -0.282) 9.287 8.723 ( 2.211 -2.692 -1.015) 3.628 8.896 ( 8.395 -14.144 -25.382) 30.245 9.058 ( 9.471 24.460 9.885) 28.030 9.751 ( 2.943 9.924 6.674) 12.316 9.959 ( -0.569 23.855 23.953) 33.811 11.061 ( -5.165 -0.665 14.030) 14.965 11.269 ( -1.246 6.211 11.564) 13.185 11.482 ( -8.510 10.853 10.599) 17.393 11.610 ( -6.498 -0.587 13.994) 15.440 11.923 ( -10.111 -1.764 1.727) 10.408 12.023 ( 0.707 3.089 1.738) 3.614 12.227 ( -0.897 3.313 2.730) 4.385 12.850 ( 0.989 9.637 -0.044) 9.688 13.113 ( 6.213 17.208 8.969) 20.375 13.488 ( -4.406 10.550 14.021) 18.091 13.561 ( 0.957 26.650 9.976) 28.472 15.992 ( -0.892 -20.506 -14.614) 25.196 16.330 ( 0.098 -16.806 -8.072) 18.644 17.622 ( 5.730 1.261 5.421) 7.988 17.766 ( -0.072 -17.010 -4.326) 17.552 19.669 ( 1.941 -2.783 -12.707) 13.152 19.694 ( 1.607 -1.947 -17.659) 17.838 ======================= Grid point 267 (133/312) ======================= q-point: (-0.40 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -8.993 19.039 8.791) 22.818 4.065 ( -21.684 11.373 20.787) 32.119 4.246 ( -11.566 16.605 8.984) 22.140 4.716 ( 7.662 3.293 19.526) 21.232 5.281 ( -8.788 -3.839 -8.948) 13.116 5.446 ( 0.283 -15.566 -4.354) 16.166 5.682 ( -6.159 -4.125 -2.403) 7.793 6.028 ( 21.589 7.106 3.302) 22.967 6.359 ( 2.373 -11.166 -6.010) 12.901 6.924 ( -3.817 -11.692 -8.735) 15.086 7.154 ( 2.998 3.811 -11.298) 12.294 7.367 ( 2.757 -5.606 -3.890) 7.359 8.019 ( -4.420 -13.086 6.969) 15.471 8.666 ( 1.185 -4.207 -2.544) 5.057 8.736 ( 9.388 -0.126 -3.223) 9.927 8.983 ( -2.585 10.653 -7.800) 13.454 9.176 ( 5.863 10.921 4.695) 13.255 9.812 ( 1.286 11.265 6.617) 13.128 10.230 ( 16.452 18.257 19.421) 31.323 10.969 ( -6.934 -0.209 9.361) 11.652 11.234 ( -7.142 19.075 15.346) 25.502 11.298 ( -12.494 -2.853 0.922) 12.849 11.516 ( -10.499 -1.664 15.321) 18.647 11.619 ( -13.228 -6.057 7.267) 16.263 12.130 ( 3.096 3.418 4.092) 6.165 12.251 ( 2.357 6.977 1.779) 7.576 12.939 ( 7.503 8.952 1.946) 11.842 13.246 ( 4.086 17.795 7.096) 19.589 13.433 ( -6.002 5.629 15.504) 17.552 13.616 ( 1.415 25.141 8.898) 26.707 15.845 ( -8.176 -20.844 -15.691) 27.341 16.309 ( 0.792 -15.658 -8.972) 18.064 17.606 ( -3.862 -5.497 1.967) 7.000 17.964 ( 15.100 -12.489 1.581) 19.660 19.678 ( 4.337 -1.588 -16.433) 17.069 19.747 ( 9.691 -1.979 -15.407) 18.309 ======================= Grid point 268 (134/312) ======================= q-point: (-0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -8.511 21.883 10.318) 25.647 3.644 ( -26.294 15.069 12.394) 32.742 4.064 ( -12.664 13.134 19.053) 26.380 4.880 ( 0.394 7.733 5.526) 9.513 5.050 ( -6.450 10.130 2.773) 12.325 5.356 ( -3.859 -23.412 -8.848) 25.324 5.679 ( 2.885 -11.593 -0.089) 11.947 6.383 ( 5.078 -9.547 -5.525) 12.143 6.510 ( 16.369 16.789 11.937) 26.312 6.879 ( 4.199 -8.363 -5.197) 10.704 7.193 ( 4.415 1.480 -11.748) 12.637 7.400 ( 1.856 -6.033 -3.756) 7.345 7.950 ( -3.651 -7.299 6.416) 10.381 8.683 ( -0.284 3.792 0.907) 3.909 8.763 ( -7.298 5.418 -8.903) 12.723 8.972 ( 9.184 9.337 4.679) 13.907 9.307 ( 3.739 5.038 -1.015) 6.356 9.836 ( -0.467 10.221 5.604) 11.666 10.552 ( 8.907 12.626 4.774) 16.172 10.898 ( -3.107 0.918 7.231) 7.924 10.963 ( -20.647 -0.716 8.419) 22.309 11.128 ( -9.126 -1.448 7.114) 11.661 11.352 ( -4.260 6.946 12.133) 14.615 11.549 ( -2.990 -0.299 14.131) 14.447 12.164 ( -0.867 2.742 6.984) 7.553 12.294 ( 0.824 4.453 2.904) 5.380 13.111 ( 6.812 6.318 7.918) 12.207 13.276 ( -3.841 18.342 5.207) 19.450 13.411 ( 0.022 1.051 13.275) 13.316 13.680 ( 2.747 22.604 6.044) 23.559 15.604 ( -10.145 -20.514 -16.506) 28.217 16.303 ( 1.731 -15.854 -8.584) 18.112 17.539 ( -3.756 -3.438 1.913) 5.439 18.262 ( 13.891 -15.279 2.942) 20.858 19.732 ( 7.048 0.669 -17.915) 19.263 19.956 ( 17.059 -2.037 -16.234) 23.637 ======================= Grid point 269 (135/312) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -8.983 26.000 9.779) 29.194 3.196 ( -21.547 20.272 14.667) 33.020 3.889 ( -12.433 11.092 24.407) 29.552 4.775 ( -5.280 26.761 -2.445) 27.386 5.055 ( -1.876 -0.361 8.686) 8.894 5.312 ( 1.834 -22.899 1.885) 23.049 5.761 ( 5.797 -13.384 -3.340) 14.963 6.418 ( -0.208 -3.177 -2.051) 3.787 6.696 ( 5.581 5.715 -5.853) 9.903 7.089 ( 11.024 7.927 0.636) 13.593 7.233 ( 3.530 -3.414 0.455) 4.932 7.396 ( -1.247 -3.231 -6.226) 7.125 7.964 ( 1.675 0.245 10.126) 10.267 8.496 ( -9.250 15.006 -4.269) 18.138 8.822 ( 7.957 -8.423 -3.289) 12.044 9.143 ( 3.898 18.113 4.469) 19.059 9.270 ( -4.106 4.949 -2.619) 6.943 9.870 ( 2.168 2.656 7.416) 8.170 10.478 ( -19.443 -4.248 -4.506) 20.406 10.648 ( -5.801 10.930 1.671) 12.486 10.890 ( -1.801 -4.081 8.562) 9.654 11.068 ( -1.272 -2.254 11.039) 11.338 11.399 ( 2.879 12.342 13.357) 18.412 11.539 ( -2.709 -3.104 8.351) 9.312 12.161 ( -2.343 1.807 11.887) 12.250 12.310 ( -0.166 0.603 4.128) 4.175 13.189 ( -6.107 13.348 9.955) 17.735 13.195 ( -2.644 5.048 12.321) 13.575 13.501 ( 5.493 3.335 3.054) 7.115 13.761 ( 3.516 19.024 3.764) 19.709 15.375 ( -7.074 -19.119 -15.994) 25.911 16.317 ( 2.464 -16.781 -7.594) 18.583 17.474 ( -3.702 0.162 2.420) 4.426 18.500 ( 9.376 -18.030 2.755) 20.508 19.820 ( 8.121 3.506 -18.545) 20.546 20.267 ( 19.963 -4.242 -19.360) 28.130 ======================= Grid point 270 (136/312) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -9.250 31.367 13.332) 35.316 3.020 ( -5.095 24.156 19.425) 31.414 3.763 ( -9.329 11.637 27.138) 30.966 4.718 ( -0.271 32.145 2.825) 32.270 5.039 ( -0.610 -4.027 3.721) 5.516 5.406 ( 4.286 -17.896 11.711) 21.812 5.858 ( 5.318 -13.217 -6.307) 15.580 6.365 ( -4.184 1.219 -0.464) 4.383 6.778 ( 4.364 1.979 -6.792) 8.313 7.107 ( -2.150 -0.506 -13.637) 13.815 7.278 ( -4.117 3.356 -11.856) 12.991 7.457 ( 8.036 -0.954 18.075) 19.804 7.967 ( -4.550 12.004 2.329) 13.047 8.391 ( -2.317 5.469 -4.905) 7.703 8.943 ( 0.708 0.746 -2.916) 3.092 9.063 ( -2.041 9.523 5.545) 11.207 9.323 ( 3.689 14.015 4.611) 15.209 9.962 ( 0.281 -0.581 11.389) 11.408 10.072 ( -13.407 -11.513 -1.121) 17.707 10.604 ( -0.357 15.621 -1.692) 15.716 10.899 ( 0.138 -5.582 7.444) 9.305 11.087 ( 0.430 -5.632 3.153) 6.469 11.471 ( -3.153 5.155 0.758) 6.090 11.516 ( 0.910 -0.767 14.414) 14.463 12.153 ( -4.026 3.665 16.971) 17.823 12.317 ( -0.460 -3.896 3.878) 5.516 13.086 ( -7.229 13.858 9.449) 18.265 13.171 ( -3.444 3.803 12.753) 13.747 13.601 ( 3.387 2.192 0.608) 4.080 13.828 ( 1.961 16.318 2.681) 16.652 15.243 ( -0.943 -17.263 -14.506) 22.568 16.344 ( 2.611 -18.305 -6.198) 19.501 17.415 ( -3.104 3.704 2.393) 5.393 18.640 ( 4.122 -19.140 2.485) 19.736 19.908 ( 7.112 5.699 -18.521) 20.642 20.537 ( 13.831 -7.388 -23.925) 28.606 ======================= Grid point 271 (137/312) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 4.297 28.380 13.337) 31.650 3.468 ( -1.329 19.103 13.602) 23.489 3.962 ( 1.241 11.366 25.967) 28.373 4.807 ( 9.844 -22.884 9.677) 26.725 5.230 ( 1.108 5.821 7.099) 9.247 5.474 ( 5.167 15.677 3.843) 16.948 5.641 ( 2.959 -15.224 -1.596) 15.591 6.177 ( 0.144 -14.379 -2.680) 14.628 6.844 ( -3.475 7.560 -3.455) 9.009 7.059 ( -7.316 3.061 -16.706) 18.492 7.188 ( -3.990 1.918 -6.572) 7.924 7.409 ( -1.608 -6.424 3.804) 7.637 8.320 ( -12.152 15.967 0.946) 20.087 8.402 ( -7.681 15.661 -17.518) 24.721 8.886 ( -3.490 5.652 -3.392) 7.459 9.302 ( 6.778 9.324 1.680) 11.649 9.604 ( -4.252 -10.754 2.200) 11.772 9.785 ( -5.910 18.203 10.057) 21.620 10.037 ( 10.240 -11.788 5.467) 16.544 10.601 ( 5.892 -16.502 2.241) 17.665 10.806 ( -6.009 -3.456 -1.203) 7.036 10.874 ( -0.229 -7.611 3.988) 8.596 11.387 ( 1.114 4.636 1.319) 4.947 11.666 ( 4.921 -1.749 7.919) 9.485 12.214 ( -4.081 1.260 26.179) 26.525 12.285 ( -6.005 2.061 27.839) 28.554 13.194 ( -5.189 5.227 10.278) 12.644 13.315 ( -4.273 6.100 8.039) 10.959 13.758 ( 1.625 16.421 1.171) 16.543 14.146 ( -0.656 13.256 2.394) 13.486 14.966 ( 2.887 -7.605 -8.154) 11.518 15.819 ( -1.197 -33.721 5.296) 34.155 17.613 ( 0.910 16.129 -6.177) 17.295 18.315 ( 0.286 -18.425 -2.834) 18.644 20.100 ( 4.985 7.986 -22.952) 24.807 20.441 ( 3.726 -8.861 -27.323) 28.965 ======================= Grid point 272 (138/312) ======================= q-point: ( 0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 1.110 17.044 11.836) 20.780 3.585 ( 5.908 18.034 15.410) 24.446 4.169 ( 10.652 21.429 23.115) 33.271 5.041 ( 8.053 -10.882 6.141) 14.865 5.263 ( 0.275 -0.762 9.573) 9.607 5.620 ( 7.805 9.747 8.085) 14.875 5.659 ( -1.171 -14.475 0.838) 14.546 6.190 ( 1.950 -13.626 -1.012) 13.802 6.745 ( -4.355 5.425 -3.513) 7.793 6.780 ( -15.023 4.378 -14.787) 21.529 7.118 ( -0.452 2.616 -5.799) 6.378 7.408 ( 0.228 -6.092 4.449) 7.547 8.024 ( -14.305 10.036 -6.238) 18.554 8.144 ( -11.122 7.702 -21.142) 25.100 8.803 ( -3.446 10.617 -3.390) 11.666 9.347 ( -3.922 4.747 -1.627) 6.369 9.553 ( -8.163 3.464 -0.824) 8.906 9.750 ( 6.523 -7.346 9.395) 13.593 10.115 ( -7.216 -0.515 5.845) 9.301 10.668 ( -3.924 -10.194 -2.628) 11.234 10.852 ( 14.089 -4.148 12.362) 19.197 10.965 ( 9.898 -8.776 -0.158) 13.229 11.524 ( 11.066 7.736 1.742) 13.614 11.807 ( 6.822 0.306 5.563) 8.808 12.212 ( -5.408 1.419 26.480) 27.064 12.276 ( -5.496 4.474 32.744) 33.502 13.132 ( -4.530 4.112 9.397) 11.213 13.256 ( -4.792 2.537 6.785) 8.685 13.790 ( 1.486 20.221 1.591) 20.338 14.129 ( -1.898 17.260 3.034) 17.627 15.027 ( 6.671 -11.986 -9.439) 16.651 15.814 ( -1.299 -34.704 5.989) 35.241 17.600 ( 0.063 15.809 -7.281) 17.405 18.265 ( -4.309 -17.013 -3.486) 17.893 20.072 ( 0.076 6.802 -21.949) 22.979 20.339 ( -4.283 -6.102 -25.867) 26.920 ======================= Grid point 273 (139/312) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 2.893 15.939 9.487) 18.772 3.764 ( 6.968 10.730 18.920) 22.840 4.467 ( 12.171 25.943 14.141) 31.955 5.060 ( -7.145 6.116 10.513) 14.106 5.318 ( 0.792 -7.748 -0.966) 7.848 5.589 ( -5.937 -11.673 2.312) 13.299 5.823 ( 8.458 -2.204 9.975) 13.262 6.212 ( -0.463 -14.170 -4.893) 14.998 6.421 ( -14.915 5.814 -13.618) 21.016 6.729 ( 2.786 -5.213 6.895) 9.082 7.131 ( 2.615 4.195 -1.246) 5.098 7.430 ( -0.323 -6.862 2.477) 7.303 7.785 ( -6.736 10.493 -9.884) 15.911 7.920 ( -1.517 2.853 -21.696) 21.935 8.726 ( -3.777 8.064 -2.128) 9.155 9.151 ( -11.397 0.061 -6.674) 13.208 9.397 ( -8.702 2.057 -4.367) 9.952 9.861 ( -4.960 -18.105 -2.461) 18.933 10.003 ( 4.163 15.645 12.870) 20.682 10.655 ( 1.899 -9.194 1.923) 9.583 11.078 ( 5.879 2.768 14.802) 16.166 11.270 ( 16.539 -6.456 2.649) 17.951 11.761 ( 10.351 6.503 6.472) 13.832 11.942 ( 4.893 0.455 2.564) 5.543 12.192 ( -5.879 5.908 29.317) 30.478 12.286 ( -4.878 3.541 30.389) 30.981 13.081 ( -3.966 2.259 8.312) 9.482 13.174 ( -5.609 0.963 5.730) 8.076 13.834 ( 2.369 24.481 2.797) 24.754 14.104 ( -1.503 23.695 4.072) 24.089 15.163 ( 10.733 -17.774 -10.793) 23.401 15.812 ( -0.887 -34.894 5.870) 35.395 17.566 ( -0.677 13.305 -8.774) 15.952 18.126 ( -8.432 -14.160 -4.693) 17.135 19.965 ( -3.280 4.507 -20.686) 21.424 20.130 ( -7.895 -3.215 -23.003) 24.532 ======================= Grid point 274 (140/312) ======================= q-point: ( 0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( 3.005 16.299 7.708) 18.279 3.989 ( 9.127 5.505 21.229) 23.755 4.711 ( 8.438 21.422 7.827) 24.318 4.917 ( -10.223 11.245 15.334) 21.589 5.223 ( -8.638 -2.281 -6.314) 10.940 5.463 ( -7.369 -10.215 2.449) 12.832 5.951 ( 1.041 -10.229 -4.362) 11.169 6.042 ( -9.537 -7.065 -11.169) 16.298 6.266 ( -0.006 2.265 -1.146) 2.539 6.831 ( 2.508 -21.072 8.472) 22.849 7.155 ( -2.241 1.273 3.245) 4.144 7.393 ( -1.798 -5.664 -4.591) 7.509 7.733 ( 5.870 12.941 -13.992) 19.943 7.995 ( 14.211 -0.358 -14.838) 20.549 8.631 ( -5.579 3.597 0.050) 6.638 8.942 ( -7.586 -5.474 -10.002) 13.695 9.206 ( -5.844 11.311 -2.071) 12.899 9.775 ( -0.942 -3.082 -0.675) 3.293 10.183 ( 6.692 6.695 12.278) 15.504 10.737 ( 4.826 -9.363 6.585) 12.423 11.205 ( 1.567 7.834 17.805) 19.515 11.529 ( 7.952 -4.344 5.937) 10.833 11.907 ( -0.693 3.570 12.330) 12.855 12.000 ( 1.106 -0.570 5.800) 5.932 12.201 ( -2.064 7.546 19.106) 20.646 12.276 ( -6.164 2.215 24.762) 25.614 13.031 ( -3.715 2.446 6.833) 8.153 13.102 ( -3.297 0.717 7.275) 8.019 13.897 ( 2.340 28.453 5.278) 29.033 14.112 ( 1.073 30.478 4.175) 30.782 15.350 ( 11.427 -22.839 -10.923) 27.776 15.824 ( 0.469 -33.764 4.334) 34.044 17.523 ( -0.261 8.923 -9.757) 13.224 17.922 ( -10.145 -10.417 -5.794) 15.652 19.821 ( -3.996 2.018 -19.559) 20.064 19.906 ( -7.012 -1.823 -20.667) 21.900 ======================= Grid point 275 (141/312) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.734 ( -0.034 17.844 6.689) 19.056 4.245 ( 9.078 -0.704 20.697) 22.611 4.686 ( -11.689 8.478 19.137) 23.973 4.970 ( 3.730 13.335 1.986) 13.988 5.004 ( -4.846 7.300 -2.763) 9.187 5.335 ( -6.853 -11.021 3.938) 13.562 5.763 ( -6.811 -2.620 -18.264) 19.668 6.012 ( 1.994 -15.464 -5.778) 16.628 6.230 ( -5.279 2.196 -2.195) 6.125 6.843 ( -3.511 -25.468 2.767) 25.858 7.098 ( -1.886 3.821 0.741) 4.325 7.372 ( 1.715 -3.473 -6.794) 7.821 7.831 ( 6.297 7.724 -12.194) 15.748 8.275 ( 17.877 -5.246 -16.716) 25.030 8.562 ( 0.644 -0.573 -1.132) 1.423 8.746 ( -8.871 -10.570 -7.977) 15.939 9.274 ( 11.239 23.345 5.412) 26.469 9.812 ( 3.682 1.646 4.070) 5.730 10.309 ( 1.143 12.096 16.393) 20.405 10.869 ( 4.893 -11.439 10.626) 16.362 11.265 ( -1.357 7.581 17.822) 19.415 11.617 ( -1.790 -2.666 14.164) 14.523 11.834 ( -9.441 3.849 14.903) 18.057 12.003 ( -6.248 -6.132 6.658) 10.999 12.190 ( -5.175 7.083 12.129) 14.969 12.251 ( -0.401 3.574 10.843) 11.424 12.998 ( -1.906 4.765 7.273) 8.901 13.113 ( 1.388 -0.315 10.987) 11.079 13.945 ( -0.065 30.959 8.043) 31.986 14.165 ( 2.516 34.855 2.887) 35.064 15.490 ( 5.710 -26.528 -9.093) 28.618 15.861 ( 2.214 -31.102 0.458) 31.184 17.509 ( 2.714 3.219 -9.476) 10.370 17.722 ( -7.691 -6.450 -6.259) 11.829 19.694 ( -2.069 0.115 -18.522) 18.638 19.737 ( -3.027 -1.580 -20.173) 20.460 ======================= Grid point 276 (142/312) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.708 ( -4.849 19.604 6.560) 21.233 4.378 ( -5.829 -10.761 13.227) 18.020 4.613 ( 0.956 16.487 24.462) 29.515 4.773 ( -10.084 11.472 -2.765) 15.522 5.174 ( 2.890 -5.890 3.090) 7.252 5.222 ( -3.440 -8.455 1.192) 9.206 5.686 ( 5.607 0.094 -11.207) 12.532 6.038 ( 0.526 -11.161 -9.494) 14.662 6.059 ( -5.349 3.562 -4.825) 8.037 6.732 ( -6.261 -22.710 -3.898) 23.878 7.127 ( 3.666 4.236 1.979) 5.942 7.394 ( 2.489 -0.465 -8.469) 8.840 7.870 ( 1.887 3.866 -7.895) 8.991 8.493 ( 6.901 -14.656 -24.149) 29.079 8.600 ( 2.344 -0.752 -0.036) 2.462 8.700 ( 12.348 -4.204 -5.588) 14.190 9.554 ( 11.168 22.960 9.142) 27.120 9.915 ( 3.804 5.261 8.652) 10.817 10.375 ( 0.929 18.442 22.119) 28.813 10.949 ( -1.321 -10.256 11.516) 15.477 11.280 ( -2.760 2.486 12.697) 13.229 11.585 ( -8.058 -2.626 25.552) 26.921 11.673 ( -11.677 4.249 13.772) 18.549 11.775 ( -17.649 -8.159 6.191) 20.405 12.169 ( 0.383 7.534 5.799) 9.515 12.300 ( 2.147 2.357 3.605) 4.813 13.017 ( 1.417 7.585 8.269) 11.310 13.211 ( 3.322 -2.144 14.925) 15.440 13.940 ( -3.404 31.554 7.826) 32.688 14.204 ( 0.191 34.998 2.788) 35.109 15.500 ( -1.447 -27.001 -8.476) 28.337 15.888 ( 0.398 -29.176 -2.328) 29.271 17.562 ( 3.286 -3.701 -9.753) 10.937 17.621 ( 2.318 -1.781 -4.534) 5.395 19.634 ( 2.645 -0.779 -18.147) 18.355 19.658 ( 2.240 -1.583 -20.839) 21.018 ======================= Grid point 277 (143/312) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.613 ( -6.571 21.371 7.257) 23.507 4.213 ( -13.319 -0.549 14.312) 19.558 4.523 ( -14.993 13.069 -0.655) 19.900 4.791 ( 6.179 6.108 16.568) 18.708 5.081 ( -5.248 -11.669 -3.667) 13.310 5.224 ( -1.067 -11.194 -1.289) 11.318 5.693 ( -6.929 5.814 -4.265) 10.000 6.057 ( 8.970 -6.089 -4.894) 11.895 6.192 ( 17.561 -1.658 0.936) 17.663 6.632 ( -0.919 -17.511 -6.783) 18.802 7.219 ( 4.631 3.150 1.001) 5.690 7.395 ( 0.726 2.509 -9.845) 10.186 7.873 ( 0.894 2.350 -3.978) 4.706 8.445 ( 1.179 -15.211 -16.375) 22.381 8.793 ( 12.610 3.491 -2.049) 13.243 8.944 ( 13.825 -4.815 -13.421) 19.861 9.656 ( -4.449 25.652 13.745) 29.441 10.002 ( 1.767 6.907 9.307) 11.724 10.546 ( 8.419 13.962 19.346) 25.299 10.913 ( -4.979 -5.321 9.351) 11.855 11.188 ( -11.484 -4.591 4.073) 13.021 11.368 ( -22.017 -7.312 12.764) 26.479 11.510 ( -9.871 3.189 21.205) 23.607 11.564 ( -5.330 0.048 18.779) 19.520 12.223 ( 1.961 5.492 6.263) 8.558 12.346 ( 1.247 1.708 3.309) 3.927 13.109 ( 4.619 8.028 9.784) 13.473 13.320 ( 2.181 -2.896 16.353) 16.750 13.863 ( -6.581 30.687 5.101) 31.797 14.194 ( -2.102 30.820 3.996) 31.149 15.385 ( -6.675 -23.679 -10.661) 26.812 15.867 ( -1.383 -29.228 -1.065) 29.280 17.554 ( 1.589 1.041 -7.972) 8.195 17.775 ( 11.546 -8.002 -4.751) 14.830 19.662 ( 6.780 -0.103 -20.559) 21.649 19.705 ( 10.012 -2.079 -19.970) 22.436 ======================= Grid point 278 (144/312) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( -5.259 23.493 8.479) 25.524 3.962 ( -17.633 15.131 10.329) 25.427 4.217 ( -15.323 3.147 7.193) 17.217 4.877 ( -4.581 -20.454 -3.793) 21.301 5.003 ( 1.069 2.699 8.535) 9.016 5.229 ( 2.812 1.113 -1.603) 3.423 5.557 ( -4.517 4.875 -1.283) 6.769 6.163 ( 4.069 -13.984 -3.522) 14.984 6.592 ( 13.205 -2.208 -2.967) 13.713 6.750 ( 18.545 -6.880 6.511) 20.824 7.303 ( 4.356 2.540 -3.009) 5.872 7.358 ( -0.957 3.917 -9.746) 10.547 7.899 ( 3.611 5.254 -0.671) 6.411 8.470 ( 6.649 -14.582 -13.502) 20.956 8.992 ( 5.294 6.997 -8.418) 12.159 9.095 ( 7.365 1.718 -6.166) 9.757 9.592 ( -3.993 23.567 13.304) 27.356 10.016 ( -3.357 6.729 6.089) 9.676 10.702 ( -4.395 0.949 1.107) 4.631 10.834 ( -6.216 -4.536 8.829) 11.712 10.897 ( -14.153 -2.646 4.286) 15.023 11.039 ( -12.605 -6.304 16.892) 21.999 11.458 ( -4.345 3.267 22.625) 23.269 11.553 ( -2.548 -0.485 16.859) 17.058 12.251 ( -2.236 5.332 10.559) 12.039 12.365 ( -1.380 1.537 7.620) 7.895 13.236 ( 3.577 5.958 11.781) 13.678 13.401 ( 0.647 -1.938 14.723) 14.865 13.743 ( -6.216 28.103 2.515) 28.892 14.161 ( -2.502 23.796 4.199) 24.293 15.199 ( -7.647 -17.815 -11.552) 22.568 15.841 ( -1.152 -30.109 1.060) 30.150 17.571 ( 2.507 6.241 -7.201) 9.853 17.987 ( 11.195 -13.165 -4.254) 17.798 19.760 ( 10.511 2.235 -21.889) 24.384 19.894 ( 16.118 -3.892 -21.208) 26.921 ======================= Grid point 279 (145/312) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.465 ( -4.205 25.689 9.252) 27.627 3.634 ( -16.851 24.664 8.276) 30.996 4.018 ( -10.202 0.613 17.958) 20.663 4.722 ( -6.881 -27.703 -0.888) 28.558 5.092 ( 3.234 5.098 7.571) 9.684 5.302 ( 4.801 13.762 -3.390) 14.964 5.520 ( 0.703 -6.264 0.772) 6.351 6.197 ( 1.140 -17.401 -4.273) 17.954 6.773 ( 8.846 5.273 -4.971) 11.436 7.131 ( 11.798 -8.300 9.343) 17.187 7.299 ( -1.311 5.659 -8.883) 10.614 7.363 ( 3.518 2.567 -7.477) 8.653 8.063 ( 12.760 10.540 6.990) 17.966 8.590 ( 8.800 -10.943 -13.600) 19.549 8.893 ( -7.443 18.732 -2.760) 20.344 9.260 ( 8.094 -0.735 -3.147) 8.716 9.574 ( -2.954 20.496 5.121) 21.332 9.947 ( -3.275 4.800 2.612) 6.370 10.318 ( -24.780 -8.595 -0.600) 26.235 10.684 ( -6.869 -17.322 -1.286) 18.678 10.842 ( -1.882 6.306 6.960) 9.579 10.984 ( -3.777 -3.517 16.263) 17.062 11.471 ( -2.465 2.064 20.299) 20.552 11.558 ( -2.036 -0.864 9.898) 10.142 12.223 ( -4.846 4.394 17.612) 18.787 12.347 ( -4.027 0.621 14.118) 14.694 13.289 ( -2.555 5.166 13.423) 14.608 13.435 ( -2.422 2.169 10.864) 11.340 13.678 ( -0.490 22.032 1.332) 22.078 14.137 ( -1.031 16.341 2.991) 16.644 15.042 ( -4.287 -10.947 -10.000) 15.434 15.829 ( -0.853 -31.171 2.712) 31.300 17.594 ( 2.142 10.895 -6.424) 12.828 18.164 ( 8.243 -16.581 -3.652) 18.874 19.904 ( 11.658 5.154 -22.819) 26.138 20.154 ( 17.534 -6.787 -23.700) 30.252 ======================= Grid point 280 (146/312) ======================= q-point: (-0.10 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( -5.199 31.643 9.933) 33.570 3.473 ( -4.305 21.493 13.730) 25.865 3.931 ( -5.862 4.465 23.024) 24.175 4.667 ( 1.069 -27.066 6.226) 27.793 5.171 ( 2.636 6.575 5.681) 9.081 5.381 ( 4.157 18.109 -0.162) 18.581 5.572 ( 3.994 -14.447 -1.062) 15.027 6.190 ( -0.067 -16.664 -4.141) 17.171 6.872 ( 2.187 7.183 -2.870) 8.039 7.192 ( -1.106 3.564 -16.507) 16.924 7.269 ( -2.336 -2.759 0.297) 3.627 7.409 ( 2.020 -1.446 -0.335) 2.507 8.342 ( 8.023 18.226 11.684) 23.088 8.576 ( -4.598 13.702 -15.091) 20.896 8.886 ( 5.186 0.836 -0.298) 5.261 9.258 ( -4.268 6.202 -5.520) 9.336 9.644 ( 10.165 14.843 6.716) 19.203 9.860 ( -19.729 -8.200 -1.014) 21.390 9.941 ( -0.469 -0.803 5.649) 5.725 10.591 ( -3.146 -24.249 0.109) 24.452 10.834 ( -0.048 6.009 1.774) 6.266 10.932 ( -5.466 -4.380 8.623) 11.109 11.447 ( -5.961 0.493 8.715) 10.570 11.573 ( 1.366 -1.811 9.560) 9.825 12.205 ( -4.220 2.688 24.192) 24.704 12.314 ( -5.397 0.057 21.033) 21.714 13.255 ( -4.779 5.254 11.903) 13.861 13.381 ( -5.406 7.445 8.751) 12.698 13.713 ( 2.488 15.706 1.271) 15.952 14.140 ( 0.164 12.575 2.321) 12.789 14.968 ( -0.348 -6.881 -8.248) 10.747 15.824 ( -0.933 -32.418 4.122) 32.692 17.609 ( 1.557 14.364 -5.932) 15.619 18.277 ( 4.498 -18.292 -3.000) 19.074 20.036 ( 9.494 7.394 -23.265) 26.193 20.371 ( 12.642 -9.132 -26.316) 30.590 ======================= Grid point 281 (147/312) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( -2.985 -2.489 10.368) 11.073 3.711 ( -2.985 2.489 10.368) 11.073 4.296 ( 11.114 -25.371 20.271) 34.324 4.296 ( 11.114 25.371 20.271) 34.324 5.372 ( 1.362 -10.940 4.945) 12.083 5.372 ( 1.362 10.940 4.945) 12.083 5.839 ( 2.822 -18.910 -3.277) 19.398 5.839 ( 2.822 18.910 -3.277) 19.398 6.992 ( -5.533 -7.152 -6.199) 10.964 6.992 ( -5.533 7.152 -6.199) 10.964 7.293 ( -2.317 -6.242 -6.122) 9.045 7.293 ( -2.317 6.242 -6.122) 9.045 8.510 ( -11.796 -6.108 -14.427) 19.610 8.510 ( -11.796 6.108 -14.427) 19.610 9.262 ( 2.095 -23.717 7.186) 24.870 9.262 ( 2.095 23.717 7.186) 24.870 9.576 ( -4.657 -17.780 -2.612) 18.565 9.576 ( -4.657 17.780 -2.612) 18.565 10.257 ( 9.843 -19.238 2.852) 21.797 10.257 ( 9.843 19.238 2.852) 21.797 10.772 ( -6.789 -2.341 8.613) 11.214 10.772 ( -6.789 2.341 8.613) 11.214 11.545 ( 5.340 -9.042 1.475) 10.604 11.545 ( 5.340 9.042 1.475) 10.604 12.267 ( -5.472 -3.032 33.060) 33.646 12.267 ( -5.472 3.032 33.060) 33.646 13.293 ( -5.442 -4.733 8.981) 11.519 13.293 ( -5.442 4.733 8.981) 11.519 14.135 ( 2.987 -15.074 -3.008) 15.659 14.135 ( 2.987 15.074 -3.008) 15.659 15.174 ( -1.844 -28.162 4.754) 28.620 15.174 ( -1.844 28.162 4.754) 28.620 17.955 ( 1.193 -18.341 -5.975) 19.326 17.955 ( 1.193 18.341 -5.975) 19.326 20.266 ( 4.926 -8.912 -26.220) 28.128 20.266 ( 4.926 8.912 -26.220) 28.128 ======================= Grid point 283 (148/312) ======================= q-point: ( 0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( 0.829 -3.509 11.301) 11.862 3.729 ( 0.829 3.509 11.301) 11.862 4.630 ( 15.227 -25.067 17.325) 34.065 4.630 ( 15.227 25.067 17.325) 34.065 5.383 ( -2.887 -11.807 8.311) 14.725 5.383 ( -2.887 11.807 8.311) 14.725 5.894 ( 3.655 -15.562 -1.255) 16.035 5.894 ( 3.655 15.562 -1.255) 16.035 6.801 ( -10.310 -2.353 -11.434) 15.574 6.801 ( -10.310 2.353 -11.434) 15.574 7.256 ( -0.421 -9.053 0.598) 9.083 7.256 ( -0.421 9.053 0.598) 9.083 8.181 ( -13.510 -4.743 -18.324) 23.254 8.181 ( -13.510 4.743 -18.324) 23.254 9.200 ( -8.792 -24.577 -0.175) 26.102 9.200 ( -8.792 24.577 -0.175) 26.102 9.547 ( 0.275 -0.182 -0.974) 1.028 9.547 ( 0.275 0.182 -0.974) 1.028 10.371 ( -1.258 -17.782 4.719) 18.440 10.371 ( -1.258 17.782 4.719) 18.440 10.841 ( 12.232 -3.397 8.655) 15.365 10.841 ( 12.232 3.397 8.655) 15.365 11.705 ( 9.704 -8.779 1.407) 13.161 11.705 ( 9.704 8.779 1.407) 13.161 12.278 ( -5.552 -3.078 35.743) 36.302 12.278 ( -5.552 3.078 35.743) 36.302 13.214 ( -5.560 -4.307 7.743) 10.461 13.214 ( -5.560 4.307 7.743) 10.461 14.192 ( 4.126 -14.269 -2.954) 15.145 14.192 ( 4.126 14.269 -2.954) 15.145 15.158 ( -1.241 -27.393 4.535) 27.794 15.158 ( -1.241 27.393 4.535) 27.794 17.929 ( -1.707 -17.383 -6.759) 18.729 17.929 ( -1.707 17.383 -6.759) 18.729 20.209 ( -1.533 -7.080 -25.084) 26.109 20.209 ( -1.533 7.080 -25.084) 26.109 ======================= Grid point 285 (149/312) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( 3.803 -5.804 11.564) 13.487 3.814 ( 3.803 5.804 11.564) 13.487 4.936 ( 10.221 -20.949 8.261) 24.730 4.936 ( 10.221 20.949 8.261) 24.730 5.316 ( -7.148 -13.329 13.190) 20.068 5.316 ( -7.148 13.329 13.190) 20.068 5.948 ( 1.408 -11.975 -4.060) 12.723 5.948 ( 1.408 11.975 -4.060) 12.723 6.568 ( -8.739 -8.898 -6.669) 14.143 6.568 ( -8.739 8.898 -6.669) 14.143 7.264 ( -0.242 -8.632 2.982) 9.136 7.264 ( -0.242 8.632 2.982) 9.136 7.941 ( -3.035 -2.741 -20.613) 21.015 7.941 ( -3.035 2.741 -20.613) 21.015 8.989 ( -11.258 -15.352 -3.641) 19.382 8.989 ( -11.258 15.352 -3.641) 19.382 9.525 ( -1.403 -12.239 -3.087) 12.700 9.525 ( -1.403 12.239 -3.087) 12.700 10.371 ( 0.997 -18.423 7.709) 19.996 10.371 ( 0.997 18.423 7.709) 19.996 11.151 ( 13.646 -5.069 9.889) 17.598 11.151 ( 13.646 5.069 9.889) 17.598 11.882 ( 6.264 -5.281 4.983) 9.590 11.882 ( 6.264 5.281 4.983) 9.590 12.292 ( -5.148 -2.813 33.627) 34.135 12.292 ( -5.148 2.813 33.627) 34.135 13.134 ( -5.031 -3.205 6.884) 9.109 13.134 ( -5.031 3.205 6.884) 9.109 14.282 ( 6.094 -13.810 -1.913) 15.216 14.282 ( 6.094 13.810 -1.913) 15.216 15.163 ( 0.504 -24.878 3.399) 25.114 15.163 ( 0.504 24.878 3.399) 25.114 17.844 ( -4.313 -14.683 -8.202) 17.363 17.844 ( -4.313 14.683 -8.202) 17.363 20.054 ( -5.392 -4.456 -23.264) 24.293 20.054 ( -5.392 4.456 -23.264) 24.293 ======================= Grid point 287 (150/312) ======================= q-point: ( 0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( 5.152 -9.665 11.317) 15.749 3.944 ( 5.152 9.665 11.317) 15.749 5.017 ( -4.776 -13.175 5.891) 15.202 5.017 ( -4.776 13.175 5.891) 15.202 5.254 ( -2.523 -15.934 10.776) 19.401 5.254 ( -2.523 15.934 10.776) 19.401 5.879 ( -4.553 -5.127 -12.943) 14.647 5.879 ( -4.553 5.127 -12.943) 14.647 6.463 ( -2.172 -15.457 1.528) 15.683 6.463 ( -2.172 15.457 1.528) 15.683 7.245 ( -2.392 -7.254 3.259) 8.304 7.245 ( -2.392 7.254 3.259) 8.304 7.939 ( 9.369 -6.613 -23.094) 25.784 7.939 ( 9.369 6.613 -23.094) 25.784 8.764 ( -10.476 -9.444 -2.040) 14.251 8.764 ( -10.476 9.444 -2.040) 14.251 9.526 ( 3.731 -17.643 -2.138) 18.159 9.526 ( 3.731 17.643 -2.138) 18.159 10.460 ( 4.281 -17.084 11.217) 20.881 10.460 ( 4.281 17.084 11.217) 20.881 11.387 ( 6.228 -9.372 12.865) 17.091 11.387 ( 6.228 9.372 12.865) 17.091 11.955 ( -1.588 -2.911 10.081) 10.613 11.955 ( -1.588 2.911 10.081) 10.613 12.298 ( -4.617 -1.396 24.706) 25.172 12.298 ( -4.617 1.396 24.706) 25.172 13.075 ( -3.225 -2.260 7.448) 8.425 13.075 ( -3.225 2.260 7.448) 8.425 14.407 ( 6.429 -13.743 0.451) 15.179 14.407 ( 6.429 13.743 0.451) 15.179 15.204 ( 2.878 -20.725 1.144) 20.955 15.204 ( 2.878 20.725 1.144) 20.955 17.718 ( -5.157 -10.598 -9.528) 15.156 17.718 ( -5.157 10.598 -9.528) 15.156 19.866 ( -5.629 -2.304 -21.723) 22.559 19.866 ( -5.629 2.304 -21.723) 22.559 ======================= Grid point 289 (151/312) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.064 ( 2.488 -15.008 10.161) 18.295 4.064 ( 2.488 15.008 10.161) 18.295 4.905 ( -6.813 -11.582 11.761) 17.858 4.905 ( -6.813 11.582 11.761) 17.858 5.220 ( -4.738 -5.431 1.362) 7.335 5.220 ( -4.738 5.431 1.362) 7.335 5.770 ( -0.399 -6.730 -13.292) 14.904 5.770 ( -0.399 6.730 -13.292) 14.904 6.417 ( -4.038 -16.627 -0.282) 17.112 6.417 ( -4.038 16.627 -0.282) 17.112 7.228 ( -0.046 -8.485 3.644) 9.235 7.228 ( -0.046 8.485 3.644) 9.235 8.074 ( 11.629 -13.821 -28.441) 33.692 8.074 ( 11.629 13.821 -28.441) 33.692 8.600 ( -4.985 -4.512 1.649) 6.923 8.600 ( -4.985 4.512 1.649) 6.923 9.668 ( 9.894 -15.401 3.633) 18.662 9.668 ( 9.894 15.401 3.633) 18.662 10.588 ( 3.803 -16.032 14.866) 22.192 10.588 ( 3.803 16.032 14.866) 22.192 11.476 ( -2.111 -11.346 17.558) 21.011 11.476 ( -2.111 11.346 17.558) 21.011 11.887 ( -9.106 -3.649 11.549) 15.153 11.887 ( -9.106 3.649 11.549) 15.153 12.284 ( -3.246 -1.539 14.013) 14.466 12.284 ( -3.246 1.539 14.013) 14.466 13.072 ( -0.052 -3.078 10.215) 10.669 13.072 ( -0.052 3.078 10.215) 10.669 14.506 ( 2.735 -15.700 2.508) 16.132 14.506 ( 2.735 15.700 2.508) 16.132 15.270 ( 3.431 -19.445 -1.361) 19.792 15.270 ( 3.431 19.445 -1.361) 19.792 17.603 ( -2.602 -5.915 -10.061) 11.957 17.603 ( -2.602 5.915 -10.061) 11.957 19.709 ( -2.624 -1.232 -21.052) 21.251 19.709 ( -2.624 1.232 -21.052) 21.251 ======================= Grid point 291 (152/312) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( -3.847 -18.065 8.377) 20.281 4.080 ( -3.847 18.065 8.377) 20.281 4.892 ( 0.698 -8.467 14.014) 16.388 4.892 ( 0.698 8.468 14.014) 16.388 5.069 ( -9.950 -6.935 -3.628) 12.659 5.069 ( -9.950 6.935 -3.628) 12.659 5.791 ( 5.806 -10.070 -8.677) 14.506 5.791 ( 5.806 10.070 -8.677) 14.506 6.311 ( -4.480 -18.536 -4.682) 19.636 6.311 ( -4.480 18.536 -4.682) 19.636 7.267 ( 2.200 -8.814 4.247) 10.028 7.267 ( 2.200 8.814 4.247) 10.028 8.134 ( 4.403 -18.635 -27.927) 33.861 8.134 ( 4.403 18.635 -27.927) 33.861 8.638 ( 8.475 -2.653 0.368) 8.888 8.638 ( 8.475 2.653 0.368) 8.888 9.882 ( 8.575 -9.635 7.956) 15.155 9.882 ( 8.575 9.635 7.956) 15.155 10.695 ( 1.544 -15.015 17.131) 22.832 10.695 ( 1.544 15.015 17.131) 22.832 11.430 ( -9.381 -11.107 18.024) 23.157 11.430 ( -9.381 11.107 18.024) 23.157 11.703 ( -13.011 -0.717 14.329) 19.368 11.703 ( -13.011 0.717 14.329) 19.368 12.284 ( -0.106 -3.853 6.335) 7.415 12.284 ( -0.106 3.853 6.335) 7.415 13.137 ( 2.285 -4.907 13.411) 14.462 13.137 ( 2.285 4.907 13.411) 14.462 14.516 ( -2.762 -17.813 2.307) 18.173 14.516 ( -2.762 17.813 2.307) 18.173 15.306 ( 0.622 -21.180 -2.303) 21.314 15.306 ( 0.622 21.180 -2.303) 21.314 17.568 ( 2.714 -2.755 -9.749) 10.488 17.568 ( 2.714 2.755 -9.749) 10.488 19.635 ( 2.643 -0.723 -21.233) 21.409 19.635 ( 2.643 0.723 -21.233) 21.409 ======================= Grid point 293 (153/312) ======================= q-point: (-0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( -5.859 -17.638 8.729) 20.534 4.006 ( -5.859 17.638 8.729) 20.534 4.791 ( -14.599 -12.733 -6.352) 20.386 4.791 ( -14.599 12.733 -6.352) 20.386 5.010 ( 3.577 -9.354 12.660) 16.143 5.010 ( 3.577 9.354 12.660) 16.143 5.866 ( 1.754 -10.636 -4.780) 11.791 5.866 ( 1.754 10.636 -4.780) 11.791 6.317 ( 9.515 -12.742 -4.507) 16.529 6.317 ( 9.515 12.742 -4.507) 16.529 7.322 ( 1.861 -6.719 3.066) 7.617 7.322 ( 1.861 6.719 3.066) 7.617 8.113 ( 3.357 -17.537 -20.978) 27.548 8.113 ( 3.357 17.537 -20.978) 27.548 8.861 ( 13.701 -3.671 -5.807) 15.327 8.861 ( 13.701 3.671 -5.807) 15.327 10.007 ( 0.543 -8.495 10.763) 13.722 10.007 ( 0.543 8.495 10.763) 13.722 10.770 ( 0.696 -9.229 14.012) 16.793 10.770 ( 0.696 9.229 14.012) 16.793 11.201 ( -18.753 -6.519 11.415) 22.901 11.201 ( -18.753 6.519 11.415) 22.901 11.555 ( -7.956 -1.461 21.406) 22.883 11.555 ( -7.956 1.461 21.406) 22.883 12.320 ( 1.124 -3.800 6.016) 7.204 12.320 ( 1.124 3.800 6.016) 7.204 13.238 ( 2.856 -5.326 14.835) 16.019 13.238 ( 2.856 5.326 14.835) 16.019 14.417 ( -7.463 -18.452 0.027) 19.904 14.417 ( -7.463 18.452 0.027) 19.904 15.284 ( -1.866 -22.902 -0.996) 23.000 15.284 ( -1.866 22.902 -0.996) 23.000 17.634 ( 6.822 -6.307 -9.072) 12.985 17.634 ( 6.822 6.307 -9.072) 12.985 19.673 ( 8.803 -1.167 -22.021) 23.744 19.673 ( 8.803 1.167 -22.021) 23.744 ======================= Grid point 295 (154/312) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( -5.116 -16.321 11.047) 20.361 3.932 ( -5.116 16.321 11.047) 20.361 4.456 ( -16.767 -20.504 -5.153) 26.983 4.456 ( -16.767 20.504 -5.153) 26.983 5.121 ( 3.848 -7.738 8.933) 12.429 5.121 ( 3.848 7.738 8.933) 12.429 5.835 ( -1.457 -18.265 -5.303) 19.075 5.835 ( -1.457 18.265 -5.303) 19.075 6.616 ( 18.774 -5.147 0.563) 19.475 6.616 ( 18.774 5.147 0.563) 19.475 7.355 ( 1.056 -3.330 0.104) 3.495 7.355 ( 1.056 3.330 0.104) 3.495 8.153 ( 7.745 -17.058 -15.416) 24.262 8.153 ( 7.745 17.058 -15.416) 24.262 9.078 ( 10.087 -2.623 -8.098) 13.199 9.078 ( 10.087 2.623 -8.098) 13.199 9.994 ( -4.523 -12.159 11.201) 17.139 9.994 ( -4.523 12.159 11.201) 17.139 10.703 ( -16.110 -4.238 -1.089) 16.693 10.703 ( -16.110 4.238 -1.089) 16.693 10.938 ( -6.767 -4.086 19.045) 20.620 10.938 ( -6.767 4.086 19.045) 20.620 11.517 ( -3.869 -2.778 20.444) 20.992 11.517 ( -3.869 2.778 20.444) 20.992 12.342 ( -2.262 -3.452 11.107) 11.849 12.342 ( -2.262 3.452 11.107) 11.849 13.337 ( 1.831 -4.375 14.409) 15.170 13.337 ( 1.831 4.375 14.409) 15.170 14.253 ( -8.143 -18.680 -2.481) 20.528 14.253 ( -8.143 18.680 -2.481) 20.528 15.244 ( -2.100 -25.465 1.331) 25.587 15.244 ( -2.100 25.466 1.331) 25.587 17.748 ( 7.465 -11.147 -8.226) 15.737 17.748 ( 7.465 11.147 -8.226) 15.737 19.818 ( 13.678 -3.637 -23.292) 27.255 19.818 ( 13.678 3.637 -23.292) 27.255 ======================= Grid point 297 (155/312) ======================= q-point: (-0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.875 ( -5.612 -15.047 12.352) 20.260 3.875 ( -5.612 15.047 12.352) 20.260 4.162 ( -11.163 -28.866 2.346) 31.038 4.162 ( -11.163 28.866 2.346) 31.038 5.221 ( 3.864 -9.109 5.735) 11.436 5.221 ( 3.864 9.109 5.735) 11.436 5.804 ( 0.283 -21.609 -5.735) 22.359 5.804 ( 0.283 21.609 -5.735) 22.359 6.933 ( 11.249 -10.350 2.111) 15.431 6.933 ( 11.249 10.350 2.111) 15.431 7.371 ( 1.517 -2.681 -5.361) 6.183 7.371 ( 1.517 2.681 -5.361) 6.183 8.329 ( 14.528 -14.812 -8.155) 22.293 8.329 ( 14.528 14.812 -8.155) 22.293 9.178 ( 2.884 -8.760 -6.192) 11.109 9.178 ( 2.884 8.760 -6.192) 11.109 9.934 ( -5.476 -11.870 6.564) 14.627 9.934 ( -5.476 11.870 6.564) 14.627 10.313 ( -18.667 -13.787 -0.425) 23.210 10.313 ( -18.667 13.787 -0.425) 23.210 10.929 ( -2.900 -3.222 13.241) 13.933 10.929 ( -2.900 3.222 13.241) 13.933 11.517 ( -3.010 -2.424 15.282) 15.763 11.517 ( -3.010 2.424 15.282) 15.763 12.310 ( -5.736 -3.856 18.847) 20.074 12.310 ( -5.736 3.856 18.847) 20.074 13.387 ( -1.718 -4.568 12.701) 13.606 13.387 ( -1.718 4.568 12.701) 13.606 14.124 ( -3.342 -17.768 -3.479) 18.411 14.124 ( -3.342 17.768 -3.479) 18.411 15.214 ( -1.764 -27.375 3.218) 27.620 15.214 ( -1.764 27.375 3.218) 27.620 17.854 ( 5.968 -15.048 -7.155) 17.699 17.854 ( 5.968 15.048 -7.155) 17.699 20.020 ( 14.821 -6.639 -24.844) 29.681 20.020 ( 14.821 6.639 -24.844) 29.681 ======================= Grid point 299 (156/312) ======================= q-point: (-0.10 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.778 ( -7.062 -5.988 9.377) 13.178 3.778 ( -7.062 5.988 9.377) 13.178 4.104 ( 1.730 -26.370 15.366) 30.570 4.104 ( 1.730 26.370 15.366) 30.570 5.309 ( 3.353 -10.282 4.235) 11.614 5.309 ( 3.353 10.282 4.235) 11.614 5.807 ( 1.873 -21.449 -5.146) 22.137 5.807 ( 1.873 21.449 -5.146) 22.137 7.047 ( 0.836 -10.246 0.905) 10.320 7.047 ( 0.836 10.246 0.905) 10.320 7.359 ( -0.450 -4.730 -10.765) 11.767 7.359 ( -0.450 4.730 -10.765) 11.767 8.585 ( 9.395 -8.915 -5.014) 13.888 8.585 ( 9.395 8.915 -5.014) 13.888 9.186 ( 1.463 -16.606 -1.930) 16.782 9.186 ( 1.463 16.606 -1.930) 16.782 9.755 ( -12.740 -5.151 1.591) 13.834 9.755 ( -12.740 5.151 1.591) 13.834 10.133 ( 0.258 -19.510 1.399) 19.562 10.133 ( 0.258 19.510 1.399) 19.562 10.885 ( -6.086 -1.840 9.774) 11.660 10.885 ( -6.086 1.840 9.774) 11.660 11.501 ( -1.706 -4.387 7.078) 8.501 11.501 ( -1.706 4.387 7.078) 8.501 12.272 ( -5.842 -3.610 27.262) 28.114 12.272 ( -5.842 3.610 27.262) 28.114 13.360 ( -4.688 -4.951 10.526) 12.541 13.360 ( -4.688 4.951 10.526) 12.541 14.100 ( 1.381 -16.281 -3.125) 16.636 14.100 ( 1.381 16.281 -3.125) 16.636 15.194 ( -1.775 -28.121 4.318) 28.506 15.194 ( -1.775 28.121 4.318) 28.506 17.927 ( 3.771 -17.520 -6.201) 18.963 17.927 ( 3.771 17.520 -6.201) 18.963 20.194 ( 11.378 -8.775 -26.069) 29.766 20.194 ( 11.378 8.775 -26.069) 29.766 ======================= Grid point 341 (157/312) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.163 ( 11.320 0.000 39.067) 40.674 2.332 ( -1.422 0.000 37.691) 37.718 3.278 ( -3.884 0.000 21.578) 21.925 4.552 ( -2.782 0.000 54.777) 54.847 4.785 ( -12.184 0.000 -13.020) 17.832 5.476 ( 4.979 0.000 -20.274) 20.877 5.561 ( -3.074 0.000 -32.835) 32.978 6.541 ( -16.155 0.000 26.486) 31.024 6.832 ( 1.078 0.000 -8.156) 8.227 7.278 ( -3.712 0.000 3.664) 5.216 7.297 ( 4.348 0.000 0.378) 4.364 7.703 ( 10.132 0.000 14.192) 17.438 7.883 ( 2.759 0.000 -17.289) 17.507 8.425 ( 10.243 0.000 12.568) 16.213 8.729 ( -12.845 0.000 -7.178) 14.715 9.034 ( 0.742 0.000 28.357) 28.367 9.564 ( -1.065 0.000 11.123) 11.173 9.858 ( 5.705 0.000 4.533) 7.287 10.082 ( -5.408 0.000 8.484) 10.061 10.341 ( 1.796 0.000 16.377) 16.475 10.973 ( 16.105 0.000 9.748) 18.825 11.066 ( -12.535 0.000 -3.736) 13.080 11.391 ( 0.117 0.000 3.254) 3.256 11.412 ( -2.644 0.000 -9.674) 10.029 11.755 ( -2.533 0.000 -26.114) 26.236 12.017 ( -9.634 0.000 23.526) 25.422 12.574 ( -1.071 0.000 -25.804) 25.827 13.322 ( -1.658 0.000 4.167) 4.485 13.379 ( 2.275 0.000 3.356) 4.054 13.585 ( 0.161 0.000 18.111) 18.112 15.572 ( 9.604 0.000 -22.727) 24.673 15.735 ( 5.237 0.000 -32.959) 33.373 18.051 ( -7.757 0.000 18.840) 20.374 19.406 ( 2.058 0.000 -13.385) 13.543 20.055 ( 4.399 0.000 4.287) 6.142 20.474 ( -11.626 0.000 -4.844) 12.595 ======================= Grid point 342 (158/312) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( 12.059 0.000 35.963) 37.930 2.708 ( 26.336 0.000 36.276) 44.828 3.287 ( -1.768 0.000 19.344) 19.425 4.510 ( -9.628 0.000 -17.969) 20.386 4.805 ( 10.751 0.000 50.788) 51.914 5.370 ( -5.324 0.000 -31.829) 32.272 5.569 ( 8.780 0.000 -10.484) 13.675 6.345 ( -11.773 0.000 27.242) 29.677 6.827 ( 1.609 0.000 -9.098) 9.239 7.212 ( -3.791 0.000 -0.030) 3.791 7.355 ( 0.071 0.000 3.235) 3.236 7.860 ( 1.759 0.000 -19.710) 19.788 7.914 ( 6.150 0.000 12.461) 13.896 8.438 ( -13.087 0.000 -5.948) 14.376 8.623 ( 5.904 0.000 10.270) 11.846 9.061 ( -8.309 0.000 25.360) 26.686 9.599 ( 2.552 0.000 14.214) 14.442 10.002 ( 6.223 0.000 7.019) 9.381 10.092 ( 0.155 0.000 11.618) 11.619 10.394 ( -2.784 0.000 13.948) 14.223 10.843 ( -9.185 0.000 -3.427) 9.803 11.279 ( 9.918 0.000 6.291) 11.745 11.314 ( -3.660 0.000 -11.017) 11.609 11.414 ( 3.858 0.000 -4.673) 6.060 11.684 ( 7.299 0.000 -24.901) 25.948 11.910 ( -10.683 0.000 30.753) 32.556 12.387 ( -8.230 0.000 -25.739) 27.023 13.284 ( -3.945 0.000 1.525) 4.229 13.387 ( -2.894 0.000 3.054) 4.207 13.654 ( 0.629 0.000 19.148) 19.158 15.724 ( 5.192 0.000 -33.254) 33.657 15.762 ( 17.379 0.000 -22.472) 28.408 17.970 ( -7.530 0.000 20.920) 22.234 19.416 ( 3.325 0.000 -12.222) 12.666 20.084 ( -25.316 0.000 0.355) 25.318 20.120 ( 0.578 0.000 4.869) 4.903 ======================= Grid point 343 (159/312) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( 20.655 0.000 32.213) 38.266 3.164 ( 3.690 0.000 21.931) 22.239 3.478 ( 18.380 0.000 28.811) 34.174 4.324 ( -3.240 0.000 -15.824) 16.152 5.149 ( -6.060 0.000 -30.393) 30.991 5.257 ( 15.518 0.000 32.268) 35.806 5.718 ( 7.850 0.000 18.806) 20.379 6.333 ( 4.217 0.000 14.212) 14.824 6.826 ( 0.720 0.000 -8.741) 8.771 7.129 ( -3.922 0.000 -3.652) 5.359 7.292 ( -7.501 0.000 3.289) 8.191 7.843 ( 3.982 0.000 -20.902) 21.278 8.016 ( 1.032 0.000 8.566) 8.628 8.240 ( -5.132 0.000 -1.295) 5.293 8.711 ( -0.703 0.000 9.519) 9.545 8.937 ( -11.370 0.000 23.087) 25.735 9.730 ( 4.724 0.000 11.949) 12.849 10.018 ( -10.874 0.000 2.818) 11.233 10.080 ( -6.826 0.000 10.675) 12.671 10.454 ( 8.757 0.000 12.607) 15.350 10.685 ( -4.759 0.000 1.108) 4.886 11.219 ( 1.151 0.000 -18.078) 18.115 11.386 ( 2.527 0.000 -4.777) 5.404 11.482 ( 3.167 0.000 -14.560) 14.901 11.810 ( -11.461 0.000 38.230) 39.911 11.894 ( 16.917 0.000 -7.690) 18.583 12.131 ( -8.583 0.000 -20.284) 22.025 13.169 ( -8.017 0.000 -0.095) 8.018 13.291 ( -7.681 0.000 4.428) 8.866 13.740 ( 1.112 0.000 20.725) 20.755 15.713 ( 5.368 0.000 -33.383) 33.812 16.066 ( 21.206 0.000 -23.339) 31.534 17.906 ( -6.828 0.000 24.437) 25.373 19.448 ( 3.951 0.000 -11.217) 11.892 19.581 ( -25.938 0.000 4.677) 26.356 20.108 ( -3.371 0.000 3.947) 5.191 ======================= Grid point 344 (160/312) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( -3.065 0.000 17.477) 17.744 3.551 ( 23.922 0.000 28.762) 37.410 3.984 ( 20.480 0.000 32.266) 38.217 4.256 ( -1.765 0.000 -5.762) 6.026 4.974 ( 0.624 0.000 -30.314) 30.321 5.370 ( -10.330 0.000 27.043) 28.949 6.113 ( 17.462 0.000 18.328) 25.314 6.574 ( 14.643 0.000 3.716) 15.107 6.744 ( -7.916 0.000 -5.090) 9.411 7.084 ( 4.020 0.000 -1.883) 4.439 7.166 ( -3.115 0.000 -3.421) 4.627 7.871 ( 5.442 0.000 -17.820) 18.632 8.045 ( 0.816 0.000 5.040) 5.105 8.225 ( 2.204 0.000 4.816) 5.297 8.649 ( -8.685 0.000 7.805) 11.677 8.814 ( -8.167 0.000 19.559) 21.196 9.683 ( -20.709 0.000 0.845) 20.726 9.816 ( -1.495 0.000 7.845) 7.986 9.901 ( -11.490 0.000 4.334) 12.280 10.535 ( -3.898 0.000 12.902) 13.478 10.921 ( 23.631 0.000 5.176) 24.191 11.256 ( 8.013 0.000 -16.619) 18.450 11.329 ( -10.143 0.000 -23.521) 25.615 11.408 ( 2.869 0.000 -8.814) 9.269 11.771 ( -8.091 0.000 47.140) 47.829 11.930 ( -7.203 0.000 -15.515) 17.105 12.198 ( 15.088 0.000 -2.087) 15.232 12.982 ( -10.985 0.000 -0.337) 10.990 13.152 ( -7.764 0.000 6.481) 10.113 13.830 ( 0.421 0.000 22.621) 22.625 15.706 ( 5.602 0.000 -33.339) 33.806 16.386 ( 19.073 0.000 -25.815) 32.097 17.885 ( -4.041 0.000 29.272) 29.550 19.147 ( -20.103 0.000 5.383) 20.811 19.487 ( 3.786 0.000 -10.539) 11.199 20.023 ( -6.031 0.000 1.682) 6.261 ======================= Grid point 345 (161/312) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( -3.694 0.000 17.778) 18.158 4.036 ( 2.807 0.000 19.146) 19.351 4.201 ( 8.979 0.000 9.235) 12.881 4.482 ( 19.901 0.000 31.574) 37.323 5.040 ( 15.892 0.000 -24.979) 29.606 5.186 ( -18.385 0.000 35.597) 40.064 6.240 ( -8.173 0.000 -0.851) 8.217 6.518 ( -12.154 0.000 -2.963) 12.510 6.759 ( 8.005 0.000 -13.637) 15.813 7.141 ( 1.344 0.000 -9.521) 9.615 7.347 ( 13.854 0.000 -0.143) 13.854 7.920 ( 5.063 0.000 -14.909) 15.745 8.167 ( 11.251 0.000 11.098) 15.804 8.334 ( 4.883 0.000 14.530) 15.328 8.447 ( -12.706 0.000 8.248) 15.149 8.769 ( -1.633 0.000 12.053) 12.163 9.315 ( -16.790 0.000 5.551) 17.684 9.604 ( -13.023 0.000 -1.179) 13.076 9.834 ( -3.924 0.000 4.706) 6.127 10.498 ( -5.734 0.000 13.787) 14.932 11.026 ( -5.214 0.000 -25.350) 25.881 11.351 ( 4.808 0.000 -11.452) 12.420 11.470 ( 23.869 0.000 11.297) 26.408 11.474 ( 8.834 0.000 -13.487) 16.122 11.663 ( -13.513 0.000 -3.248) 13.898 11.819 ( -4.567 0.000 36.036) 36.324 12.424 ( 6.621 0.000 -2.533) 7.089 12.771 ( -8.439 0.000 1.073) 8.507 13.048 ( -5.326 0.000 5.859) 7.918 13.901 ( -1.715 0.000 25.146) 25.204 15.704 ( 5.836 0.000 -33.162) 33.672 16.573 ( 8.516 0.000 -28.418) 29.667 17.982 ( 3.863 0.000 33.448) 33.670 18.849 ( -12.367 0.000 5.157) 13.399 19.519 ( 3.080 0.000 -10.000) 10.463 19.899 ( -6.498 0.000 -1.558) 6.682 ======================= Grid point 346 (162/312) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -3.511 0.000 19.401) 19.716 3.809 ( -18.756 0.000 9.095) 20.845 4.647 ( 19.422 0.000 21.115) 28.689 4.854 ( -13.612 0.000 22.341) 26.161 5.024 ( 9.909 0.000 44.357) 45.451 5.355 ( 21.817 0.000 -16.757) 27.510 5.882 ( -25.144 0.000 -3.779) 25.426 6.304 ( -7.726 0.000 -4.141) 8.766 6.840 ( 4.307 0.000 -15.886) 16.460 7.125 ( 0.770 0.000 -11.840) 11.865 7.376 ( -5.356 0.000 -15.296) 16.206 7.964 ( 4.275 0.000 -11.973) 12.713 8.123 ( -15.085 0.000 14.097) 20.646 8.461 ( 0.782 0.000 21.258) 21.272 8.597 ( 8.642 0.000 8.018) 11.789 8.839 ( 5.384 0.000 2.995) 6.161 9.176 ( 6.252 0.000 13.205) 14.610 9.428 ( -2.841 0.000 -0.432) 2.874 9.728 ( -7.847 0.000 1.951) 8.086 10.361 ( -11.675 0.000 10.297) 15.567 11.008 ( 10.838 0.000 -18.708) 21.621 11.352 ( -15.057 0.000 -4.448) 15.701 11.373 ( 1.548 0.000 -7.990) 8.139 11.629 ( 11.489 0.000 -17.367) 20.823 11.776 ( -3.560 0.000 41.721) 41.873 12.049 ( 20.339 0.000 8.554) 22.064 12.304 ( -14.655 0.000 -4.441) 15.313 12.797 ( 7.577 0.000 2.547) 7.994 12.973 ( -4.102 0.000 3.093) 5.138 13.923 ( -5.544 0.000 27.650) 28.200 15.708 ( 6.084 0.000 -32.898) 33.455 16.514 ( -3.908 0.000 -28.194) 28.464 18.241 ( 8.335 0.000 33.960) 34.968 18.722 ( -0.881 0.000 5.714) 5.782 19.541 ( 2.618 0.000 -9.164) 9.531 19.773 ( -5.032 0.000 -5.236) 7.262 ======================= Grid point 347 (163/312) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( -2.942 0.000 21.830) 22.027 3.443 ( -22.741 0.000 14.218) 26.820 4.428 ( -33.033 0.000 17.371) 37.322 5.013 ( 10.857 0.000 17.558) 20.643 5.325 ( -27.012 0.000 15.575) 31.181 5.517 ( 16.823 0.000 32.547) 36.638 5.688 ( 15.587 0.000 -14.328) 21.172 6.235 ( 3.596 0.000 -4.189) 5.521 6.747 ( -9.038 0.000 -20.951) 22.817 7.106 ( 1.960 0.000 -12.620) 12.771 7.206 ( -3.542 0.000 -12.339) 12.837 7.917 ( -11.921 0.000 20.706) 23.892 8.000 ( 3.009 0.000 -11.288) 11.682 8.483 ( -14.195 0.000 -0.365) 14.200 8.511 ( -2.201 0.000 21.819) 21.930 8.935 ( 4.169 0.000 -1.871) 4.569 9.538 ( 8.803 0.000 5.182) 10.215 9.564 ( -5.554 0.000 0.846) 5.618 9.610 ( 23.608 0.000 10.927) 26.014 10.177 ( -9.745 0.000 9.018) 13.278 11.089 ( -8.985 0.000 -0.417) 8.995 11.250 ( 16.303 0.000 -11.686) 20.059 11.353 ( -1.863 0.000 -6.597) 6.855 11.778 ( 9.992 0.000 -19.853) 22.225 11.832 ( -3.270 0.000 39.995) 40.128 11.961 ( -17.373 0.000 -4.664) 17.988 12.412 ( 12.667 0.000 1.643) 12.773 12.926 ( -0.200 0.000 0.972) 0.992 12.969 ( 8.672 0.000 2.218) 8.951 13.866 ( -10.252 0.000 29.189) 30.937 15.717 ( 6.296 0.000 -32.609) 33.212 16.275 ( -9.936 0.000 -27.436) 29.180 18.374 ( -4.611 0.000 23.601) 24.047 18.968 ( 21.221 0.000 16.318) 26.769 19.563 ( 2.631 0.000 -8.601) 8.995 19.676 ( -2.284 0.000 -7.667) 8.000 ======================= Grid point 348 (164/312) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -24.895 0.000 21.176) 32.683 3.220 ( -2.827 0.000 24.158) 24.323 3.699 ( -44.359 0.000 4.249) 44.562 4.899 ( -23.942 0.000 37.301) 44.324 5.178 ( 1.668 0.000 9.998) 10.136 5.818 ( 4.835 0.000 -18.046) 18.683 5.930 ( 9.674 0.000 16.060) 18.749 6.424 ( 14.405 0.000 -1.030) 14.442 6.451 ( -8.764 0.000 -5.942) 10.589 7.121 ( 3.836 0.000 -12.675) 13.243 7.165 ( 1.445 0.000 -8.743) 8.861 7.785 ( -10.694 0.000 24.868) 27.070 7.979 ( -1.080 0.000 -13.333) 13.377 8.196 ( -12.810 0.000 -1.117) 12.859 8.565 ( 0.362 0.000 24.626) 24.629 9.033 ( 7.205 0.000 -1.074) 7.284 9.385 ( -7.978 0.000 -1.649) 8.147 9.870 ( 16.758 0.000 9.597) 19.312 9.908 ( 0.662 0.000 0.121) 0.673 10.115 ( 2.542 0.000 13.462) 13.700 11.025 ( 2.719 0.000 2.266) 3.539 11.187 ( -14.659 0.000 -6.206) 15.919 11.481 ( 5.999 0.000 5.538) 8.165 11.674 ( -7.913 0.000 -6.335) 10.136 11.882 ( 7.009 0.000 -19.749) 20.956 11.970 ( 8.017 0.000 17.576) 19.318 12.498 ( -2.128 0.000 -1.693) 2.719 13.017 ( 8.119 0.000 0.784) 8.157 13.141 ( 8.349 0.000 1.555) 8.492 13.731 ( -13.538 0.000 29.399) 32.367 15.729 ( 6.317 0.000 -32.406) 33.016 15.978 ( -10.571 0.000 -26.669) 28.688 18.319 ( -7.377 0.000 19.153) 20.525 19.522 ( 27.773 0.000 18.441) 33.338 19.544 ( -0.937 0.000 -12.597) 12.632 19.679 ( 4.631 0.000 -3.776) 5.976 ======================= Grid point 349 (165/312) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -23.195 0.000 28.595) 36.819 2.819 ( -44.272 0.000 9.239) 45.226 3.261 ( -3.274 0.000 25.272) 25.483 4.639 ( -18.256 0.000 48.489) 51.812 5.168 ( -4.321 0.000 2.075) 4.794 5.802 ( -8.771 0.000 -24.555) 26.074 5.802 ( -1.613 0.000 -24.318) 24.372 6.601 ( 8.980 0.000 33.349) 34.537 6.686 ( 11.161 0.000 -0.392) 11.168 7.158 ( 3.853 0.000 -10.324) 11.019 7.182 ( 3.426 0.000 -5.076) 6.124 7.630 ( -12.785 0.000 19.405) 23.238 7.899 ( -0.712 0.000 -15.612) 15.628 8.063 ( -1.150 0.000 7.482) 7.569 8.687 ( 2.619 0.000 27.011) 27.138 9.156 ( -0.794 0.000 0.412) 0.894 9.291 ( 4.035 0.000 -0.223) 4.041 9.827 ( -4.678 0.000 -0.422) 4.697 10.211 ( 0.633 0.000 14.629) 14.643 10.215 ( 14.045 0.000 11.398) 18.088 10.798 ( -20.136 0.000 -5.775) 20.948 11.166 ( 9.017 0.000 0.571) 9.035 11.503 ( -6.272 0.000 13.572) 14.951 11.569 ( -2.561 0.000 -6.830) 7.295 11.918 ( 3.607 0.000 -20.292) 20.610 12.161 ( 2.667 0.000 5.515) 6.126 12.464 ( 4.508 0.000 -7.100) 8.410 13.175 ( 7.088 0.000 1.070) 7.169 13.291 ( 6.422 0.000 -1.173) 6.528 13.571 ( -12.025 0.000 29.611) 31.960 15.711 ( -7.124 0.000 -25.357) 26.339 15.740 ( 6.039 0.000 -32.398) 32.957 18.233 ( -7.882 0.000 18.170) 19.806 19.479 ( -0.719 0.000 -14.201) 14.220 19.790 ( 7.049 0.000 -0.475) 7.065 20.105 ( 25.464 0.000 10.915) 27.705 ======================= Grid point 350 (166/312) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -24.410 0.000 26.446) 35.989 2.373 ( -15.117 0.000 34.947) 38.076 3.278 ( -3.885 0.000 24.377) 24.685 4.517 ( -11.953 0.000 53.417) 54.738 5.031 ( -9.258 0.000 -5.248) 10.642 5.545 ( -4.551 0.000 -24.754) 25.168 5.710 ( -1.068 0.000 -30.475) 30.494 6.717 ( -8.548 0.000 25.599) 26.988 6.819 ( 3.605 0.000 -4.898) 6.082 7.212 ( 4.518 0.000 -3.848) 5.935 7.291 ( 3.974 0.000 5.801) 7.032 7.514 ( -0.714 0.000 13.891) 13.909 7.874 ( 3.443 0.000 -16.906) 17.253 8.181 ( 8.488 0.000 13.959) 16.337 8.830 ( 2.251 0.000 22.078) 22.192 9.026 ( -8.714 0.000 2.951) 9.200 9.467 ( 8.001 0.000 5.681) 9.813 9.782 ( 0.540 0.000 1.156) 1.276 10.264 ( 0.158 0.000 16.339) 16.340 10.283 ( -14.527 0.000 6.969) 16.112 10.654 ( 11.783 0.000 4.031) 12.453 11.284 ( -1.523 0.000 -5.562) 5.767 11.375 ( -6.075 0.000 11.925) 13.383 11.494 ( -2.702 0.000 -8.248) 8.679 11.877 ( -0.640 0.000 -21.925) 21.934 12.117 ( -7.663 0.000 16.589) 18.273 12.583 ( 8.129 0.000 -20.311) 21.877 13.296 ( 4.835 0.000 2.790) 5.582 13.342 ( -1.033 0.000 1.267) 1.635 13.524 ( -2.075 0.000 23.808) 23.898 15.556 ( 0.230 0.000 -23.810) 23.811 15.742 ( 5.581 0.000 -32.616) 33.090 18.141 ( -7.898 0.000 18.047) 19.699 19.428 ( 0.553 0.000 -14.241) 14.251 19.932 ( 6.807 0.000 2.353) 7.202 20.495 ( 10.826 0.000 -0.830) 10.857 ======================= Grid point 351 (167/312) ======================= q-point: ( 0.00 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 9.787 14.899 35.958) 40.134 2.603 ( 0.858 23.228 32.651) 40.080 3.402 ( -4.819 13.069 18.553) 23.200 4.602 ( -0.845 5.192 48.957) 49.239 4.835 ( -9.848 5.098 -9.141) 14.371 5.548 ( 0.361 6.224 -20.579) 21.503 5.623 ( 0.819 5.949 -28.710) 29.331 6.510 ( -13.681 -2.326 25.511) 29.041 6.798 ( 1.565 -3.310 -7.840) 8.653 7.137 ( -0.559 -10.516 3.488) 11.094 7.295 ( 2.315 -4.378 1.560) 5.193 7.678 ( 6.276 -1.736 10.770) 12.585 7.829 ( 1.303 -3.809 -14.660) 15.203 8.380 ( 4.559 -4.851 9.505) 11.604 8.738 ( -9.462 1.219 -3.580) 10.190 9.125 ( 0.604 8.466 24.914) 26.320 9.417 ( -0.994 -8.784 10.090) 13.414 9.989 ( 3.355 5.315 3.503) 7.195 10.086 ( -5.034 4.274 9.566) 11.624 10.486 ( 2.071 10.926 8.403) 13.938 10.822 ( 6.568 -5.566 5.106) 10.009 11.177 ( -1.523 5.308 6.921) 8.854 11.376 ( 3.825 -1.250 -4.164) 5.791 11.694 ( -4.443 4.192 -14.948) 16.148 11.776 ( -0.711 19.298 -9.675) 21.599 12.124 ( -12.153 10.279 19.847) 25.441 12.578 ( -1.049 2.104 -18.990) 19.135 13.332 ( -2.289 0.889 5.723) 6.227 13.412 ( 1.479 3.491 2.583) 4.588 13.613 ( 0.845 2.936 15.146) 15.451 15.443 ( 7.969 -10.047 -22.529) 25.923 15.851 ( 6.928 8.563 -32.113) 33.949 17.972 ( -7.434 -8.015 18.972) 21.896 19.359 ( 1.099 -5.510 -11.750) 13.024 19.891 ( 2.395 -13.999 4.911) 15.027 20.443 ( -7.273 -4.018 -9.812) 12.858 ======================= Grid point 352 (168/312) ======================= q-point: ( 0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 15.841 13.976 32.498) 38.760 2.894 ( 16.634 16.369 33.249) 40.622 3.396 ( -1.115 12.012 17.394) 21.168 4.590 ( -8.679 7.890 -16.335) 20.109 4.881 ( 11.879 7.645 44.961) 47.128 5.409 ( -4.774 4.275 -28.009) 28.732 5.655 ( 7.119 7.730 -9.720) 14.315 6.348 ( -10.592 0.493 26.330) 28.385 6.796 ( 1.231 -3.506 -8.550) 9.323 7.123 ( -1.733 -7.842 1.270) 8.131 7.307 ( -1.815 -5.469 1.360) 5.921 7.776 ( 0.868 -6.247 -6.457) 9.026 7.889 ( 8.506 -4.186 -0.314) 9.486 8.325 ( -10.083 -9.138 -0.495) 13.616 8.664 ( 1.220 2.336 5.616) 6.204 9.122 ( -9.480 6.354 22.822) 25.517 9.455 ( 1.631 -9.873 12.947) 16.363 10.009 ( -2.706 -4.414 7.520) 9.130 10.151 ( 5.542 10.228 8.101) 14.176 10.522 ( -1.591 10.621 5.988) 12.296 10.834 ( -5.435 0.077 -1.048) 5.536 11.227 ( 1.770 -3.042 9.004) 9.667 11.458 ( 6.123 1.717 -8.512) 10.625 11.602 ( 3.588 12.071 -16.229) 20.542 11.769 ( 3.946 19.463 -11.686) 23.042 11.988 ( -10.209 7.403 29.344) 31.939 12.438 ( -6.005 6.435 -17.573) 19.654 13.288 ( -4.281 0.438 2.327) 4.892 13.411 ( -2.980 2.653 3.317) 5.189 13.669 ( -0.307 1.597 16.938) 17.016 15.565 ( 11.527 -10.148 -24.287) 28.736 15.905 ( 10.503 8.461 -30.588) 33.430 17.898 ( -7.001 -7.276 20.549) 22.895 19.339 ( -0.167 -8.620 -8.316) 11.979 19.853 ( -9.631 -13.476 2.471) 16.747 20.208 ( -9.978 0.570 -4.817) 11.095 ======================= Grid point 353 (169/312) ======================= q-point: ( 0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 14.798 10.405 28.702) 33.927 3.238 ( 8.125 8.997 20.770) 24.049 3.590 ( 15.260 11.419 27.737) 33.654 4.407 ( -3.856 8.286 -15.942) 18.376 5.203 ( -5.764 5.428 -26.884) 28.025 5.295 ( 11.515 2.933 23.820) 26.620 5.819 ( 11.048 10.487 21.642) 26.465 6.330 ( 2.063 -0.430 14.841) 14.990 6.781 ( -0.534 -5.088 -8.625) 10.029 7.074 ( -3.086 -5.409 -2.412) 6.678 7.239 ( -4.491 -4.423 2.078) 6.636 7.768 ( 1.985 -6.927 -11.989) 13.988 8.016 ( 2.885 -1.150 2.107) 3.753 8.167 ( -3.445 -7.216 0.067) 7.996 8.695 ( -2.175 -1.099 6.368) 6.819 8.976 ( -11.174 4.120 19.316) 22.692 9.532 ( 1.035 -15.844 11.064) 19.352 9.939 ( -6.978 -5.829 6.051) 10.922 10.153 ( -12.634 7.573 3.230) 15.079 10.557 ( 9.843 6.177 3.342) 12.092 10.776 ( 0.114 9.014 4.618) 10.129 11.207 ( -1.726 -2.034 -8.157) 8.582 11.551 ( 4.740 9.971 -9.097) 14.305 11.672 ( 3.718 21.966 -8.738) 23.930 11.798 ( -3.150 -0.785 14.242) 14.608 12.006 ( 6.910 10.662 14.395) 19.200 12.262 ( -6.124 13.758 -13.042) 19.922 13.169 ( -8.515 -0.010 0.272) 8.519 13.318 ( -7.530 3.084 4.972) 9.536 13.730 ( 0.297 -0.874 19.574) 19.596 15.674 ( 8.485 -4.547 -28.805) 30.370 16.079 ( 17.166 1.674 -26.968) 32.012 17.844 ( -6.090 -6.317 23.279) 24.878 19.247 ( -10.253 -16.727 1.400) 19.669 19.604 ( -9.333 -0.284 -7.688) 12.095 20.074 ( -5.078 -3.664 -0.074) 6.262 ======================= Grid point 354 (170/312) ======================= q-point: ( 0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( -2.769 4.457 17.622) 18.387 3.693 ( 23.326 13.199 24.635) 36.403 4.029 ( 16.790 4.700 30.024) 34.720 4.336 ( 0.446 8.039 -6.443) 10.312 5.028 ( -0.805 5.374 -27.143) 27.681 5.355 ( -10.042 -1.534 23.863) 25.935 6.223 ( 14.882 10.069 16.167) 24.171 6.476 ( 5.124 -8.829 3.905) 10.929 6.692 ( -4.139 -5.296 -5.656) 8.785 7.009 ( -0.905 -6.205 -3.022) 6.961 7.251 ( 7.253 6.117 1.755) 9.649 7.771 ( 2.103 -9.136 -7.888) 12.252 8.045 ( 1.297 -4.159 4.571) 6.315 8.184 ( 2.695 -1.073 -1.456) 3.246 8.590 ( -8.482 -2.889 3.204) 9.516 8.865 ( -6.637 3.211 14.174) 15.977 9.530 ( -4.639 -23.598 2.856) 24.218 9.777 ( -12.830 1.482 6.411) 14.419 9.853 ( -13.398 4.579 2.683) 14.411 10.748 ( -1.531 17.203 13.974) 22.216 10.927 ( 18.719 -0.432 -2.228) 18.856 11.187 ( 4.378 0.547 -13.965) 14.645 11.498 ( -5.544 13.326 -13.749) 19.934 11.675 ( 3.347 17.731 -6.413) 19.150 11.831 ( -4.718 6.465 39.579) 40.380 12.100 ( -6.750 17.977 -10.285) 21.784 12.251 ( 12.475 5.477 1.116) 13.670 12.971 ( -11.387 -0.747 -0.039) 11.412 13.187 ( -7.436 4.049 7.601) 11.378 13.807 ( 0.231 -2.218 21.774) 21.888 15.713 ( 6.568 0.326 -31.190) 31.876 16.336 ( 17.118 -4.715 -26.433) 31.843 17.833 ( -3.301 -5.340 27.149) 27.866 18.968 ( -16.957 -16.078 6.795) 24.336 19.509 ( 0.919 0.570 -12.556) 12.603 19.966 ( -6.141 -5.778 -0.875) 8.477 ======================= Grid point 355 (171/312) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( -4.290 4.257 17.236) 18.265 4.152 ( -5.173 8.701 7.614) 12.667 4.237 ( 18.959 6.564 20.141) 28.429 4.573 ( 18.906 8.116 27.290) 34.177 5.062 ( 14.010 2.360 -24.117) 27.991 5.175 ( -17.551 -1.230 32.838) 37.254 6.272 ( -11.567 -0.154 -2.853) 11.915 6.385 ( -10.133 -9.067 -4.024) 14.180 6.695 ( 4.650 -6.476 -9.508) 12.408 7.053 ( 4.674 -7.116 -4.911) 9.828 7.431 ( 3.880 2.486 -4.339) 6.329 7.859 ( 7.662 -5.751 -0.918) 9.624 8.077 ( -2.839 -12.836 7.171) 14.975 8.260 ( 10.306 8.057 6.716) 14.705 8.536 ( 4.165 2.414 0.434) 4.833 8.786 ( -5.563 0.826 8.717) 10.374 9.385 ( -8.376 -17.588 -3.009) 19.712 9.524 ( -13.151 12.833 11.319) 21.582 9.704 ( -5.494 -5.878 2.645) 8.469 10.703 ( -7.183 19.343 14.284) 25.096 11.086 ( -0.716 4.680 -18.359) 18.959 11.395 ( 13.437 4.175 -1.277) 14.128 11.413 ( 6.148 0.759 -12.627) 14.064 11.766 ( 5.984 20.251 0.530) 21.124 11.848 ( -5.051 10.969 31.394) 33.636 11.919 ( -7.261 15.968 1.174) 17.580 12.435 ( 3.037 0.975 -1.599) 3.568 12.774 ( -6.210 0.796 1.857) 6.531 13.095 ( -4.741 5.588 7.370) 10.393 13.877 ( -1.402 -2.372 24.382) 24.537 15.727 ( 5.960 2.081 -31.893) 32.512 16.500 ( 7.922 -7.368 -27.691) 29.730 17.931 ( 3.986 -5.180 30.695) 31.383 18.706 ( -11.648 -13.866 6.528) 19.250 19.503 ( 2.350 -1.925 -12.106) 12.481 19.836 ( -6.124 -6.212 -3.531) 9.411 ======================= Grid point 356 (172/312) ======================= q-point: (-0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -5.543 2.351 18.554) 19.507 3.933 ( -15.126 10.975 6.117) 19.664 4.689 ( 15.709 4.558 25.449) 30.252 4.871 ( -17.922 1.192 23.911) 29.905 5.088 ( 16.709 5.764 32.078) 36.626 5.364 ( 21.394 1.392 -13.181) 25.167 5.885 ( -24.628 -0.742 -6.798) 25.560 6.162 ( -8.780 -12.597 -4.934) 16.128 6.733 ( 1.488 -9.384 -11.264) 14.736 7.113 ( 3.754 -3.935 -7.051) 8.905 7.341 ( -7.271 -3.630 -13.013) 15.342 7.820 ( -7.768 -16.806 7.360) 19.924 8.120 ( 4.561 6.613 -9.786) 12.662 8.522 ( 2.991 5.726 14.586) 15.953 8.641 ( -1.242 1.763 4.161) 4.686 8.797 ( 9.434 -1.259 3.436) 10.119 9.273 ( 0.335 -12.742 -2.036) 12.908 9.455 ( 4.570 18.022 17.050) 25.226 9.616 ( -4.678 -4.441 1.519) 6.626 10.563 ( -11.136 19.130 9.677) 24.159 11.033 ( 3.150 3.806 -13.276) 14.166 11.351 ( -6.795 2.207 -9.930) 12.233 11.599 ( 3.854 14.075 -1.476) 14.668 11.768 ( 5.055 14.586 -5.903) 16.527 11.871 ( -5.851 8.613 34.155) 35.707 12.116 ( 18.548 7.538 6.281) 20.984 12.272 ( -14.891 -2.796 -4.409) 15.779 12.823 ( 6.777 2.828 3.104) 7.973 13.043 ( -2.881 7.916 4.788) 9.690 13.906 ( -4.911 -1.700 26.879) 27.376 15.731 ( 5.652 2.170 -31.851) 32.421 16.442 ( -3.558 -7.287 -27.678) 28.841 18.177 ( 7.931 -6.308 31.604) 33.189 18.587 ( -1.141 -13.354 6.602) 14.941 19.514 ( 2.875 -2.913 -11.292) 12.011 19.716 ( -4.171 -5.670 -6.777) 9.771 ======================= Grid point 357 (173/312) ======================= q-point: (-0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -9.125 -1.313 20.674) 22.636 3.657 ( -15.314 16.100 11.346) 24.949 4.449 ( -31.319 2.422 18.852) 36.635 5.003 ( 5.919 -0.873 18.427) 19.374 5.314 ( -19.814 -1.114 13.884) 24.220 5.598 ( 14.845 5.828 13.881) 21.143 5.724 ( 14.005 4.862 -2.170) 14.983 6.065 ( 2.700 -14.968 -4.838) 15.960 6.648 ( -5.867 -8.729 -13.843) 17.385 7.120 ( -3.345 -7.522 -9.840) 12.830 7.190 ( 1.652 4.419 -12.159) 13.042 7.730 ( -5.710 -14.931 15.549) 22.300 8.124 ( 0.233 10.489 -12.060) 15.985 8.421 ( -11.996 -3.165 2.107) 12.584 8.640 ( -1.490 8.264 15.873) 17.958 8.916 ( 2.938 -2.084 -2.657) 4.476 9.390 ( 3.954 -13.282 0.467) 13.866 9.557 ( 4.175 2.297 3.162) 5.719 9.792 ( 18.185 15.952 13.396) 27.652 10.377 ( -9.811 18.594 7.103) 22.191 11.105 ( 6.659 -4.052 -11.098) 13.562 11.154 ( -8.481 5.343 -1.056) 10.079 11.646 ( 0.345 18.552 2.279) 18.695 11.833 ( -2.631 3.583 9.980) 10.925 11.906 ( -7.739 3.319 -5.240) 9.918 11.980 ( 0.148 6.299 11.637) 13.233 12.462 ( 13.333 5.576 0.982) 14.485 12.964 ( 5.620 3.069 2.395) 6.837 13.033 ( 2.141 8.339 2.786) 9.049 13.860 ( -9.514 -0.629 28.241) 29.807 15.729 ( 5.090 0.920 -31.202) 31.628 16.217 ( -8.831 -5.752 -27.703) 29.640 18.290 ( -5.017 -8.482 21.933) 24.046 18.819 ( 18.910 -14.193 16.237) 28.682 19.535 ( 2.506 -3.438 -11.476) 12.239 19.650 ( 1.263 -2.733 -8.226) 8.760 ======================= Grid point 358 (174/312) ======================= q-point: (-0.30 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -17.300 -1.272 22.451) 28.371 3.435 ( -14.615 12.372 16.032) 24.974 3.812 ( -34.620 13.097 8.119) 37.895 4.863 ( -19.685 -3.250 30.017) 36.043 5.224 ( -1.041 4.139 16.171) 16.725 5.770 ( 2.330 -5.248 -17.837) 18.739 5.938 ( 5.631 -2.040 -0.012) 5.990 6.264 ( 12.234 -5.059 16.064) 20.816 6.509 ( 0.815 -1.394 -8.868) 9.014 7.063 ( 1.915 -7.636 -8.558) 11.628 7.205 ( 1.745 5.673 -11.478) 12.922 7.677 ( -7.165 -9.336 22.421) 25.321 8.062 ( -2.797 7.598 -12.193) 14.636 8.201 ( -8.603 -0.016 0.478) 8.617 8.675 ( -1.044 9.903 20.367) 22.671 8.995 ( 7.070 -4.453 -1.992) 8.590 9.307 ( -6.476 -5.787 -2.799) 9.125 9.825 ( 14.210 -3.248 5.878) 15.717 10.044 ( 2.556 11.718 3.005) 12.364 10.306 ( 1.285 18.522 11.127) 21.645 11.030 ( -4.095 0.406 -0.876) 4.208 11.182 ( 1.824 -0.290 -5.242) 5.558 11.447 ( -15.067 -2.379 -4.217) 15.826 11.773 ( -4.016 9.144 25.338) 27.235 11.894 ( 5.480 6.151 -11.542) 14.180 12.166 ( 11.668 10.011 0.265) 15.376 12.583 ( -0.593 10.952 -1.664) 11.093 13.077 ( 7.085 6.494 1.261) 9.693 13.159 ( 7.855 2.212 2.737) 8.607 13.734 ( -12.973 0.301 27.908) 30.777 15.701 ( 1.550 -3.811 -28.971) 29.262 15.962 ( -5.758 -0.736 -29.115) 29.688 18.230 ( -7.319 -8.995 18.575) 21.898 19.256 ( 16.961 -19.888 14.291) 29.790 19.513 ( 1.104 -3.279 -13.089) 13.539 19.770 ( 13.732 2.754 -3.892) 14.536 ======================= Grid point 359 (175/312) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -23.686 3.241 22.862) 33.079 2.968 ( -31.185 10.351 15.216) 36.209 3.492 ( -7.811 22.074 20.104) 30.862 4.640 ( -15.842 0.083 42.935) 45.765 5.189 ( -6.294 2.040 4.551) 8.031 5.702 ( -1.014 -4.721 -23.769) 24.254 5.880 ( -3.574 1.360 -18.097) 18.497 6.533 ( 6.375 -5.240 23.097) 24.527 6.658 ( 11.090 -3.706 2.430) 11.942 7.097 ( 1.448 -4.886 -4.817) 7.013 7.181 ( 2.271 0.140 -10.869) 11.104 7.593 ( -8.284 -1.483 21.092) 22.709 7.951 ( -3.793 3.433 -7.272) 8.891 8.129 ( 0.459 5.791 -0.124) 5.810 8.754 ( 1.824 6.507 22.983) 23.956 9.144 ( 0.718 -0.806 1.189) 1.605 9.205 ( 3.314 -7.500 -0.631) 8.224 9.914 ( -2.300 6.421 -2.662) 7.321 10.200 ( 11.150 0.607 9.833) 14.879 10.378 ( -0.773 13.675 12.288) 18.400 10.819 ( -15.387 3.044 -5.444) 16.603 11.193 ( 1.447 1.653 3.153) 3.843 11.302 ( 0.082 -8.789 -5.811) 10.536 11.778 ( -3.731 10.129 21.113) 23.712 11.933 ( 1.614 6.075 -12.205) 13.728 12.404 ( 13.037 1.605 -9.701) 16.329 12.488 ( -7.300 19.647 0.486) 20.965 13.223 ( 6.715 5.187 1.460) 8.609 13.319 ( 7.303 2.685 0.150) 7.782 13.574 ( -12.062 0.356 27.355) 29.898 15.567 ( -4.389 -9.767 -24.907) 27.111 15.848 ( 3.683 6.004 -31.814) 32.585 18.145 ( -7.769 -8.867 18.153) 21.645 19.413 ( 0.968 -9.366 -10.201) 13.882 19.608 ( 9.278 -12.228 2.396) 15.536 20.130 ( 21.093 -0.409 -0.500) 21.103 ======================= Grid point 360 (176/312) ======================= q-point: (-0.10 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -16.908 11.233 27.222) 33.957 2.620 ( -13.376 20.146 28.981) 37.745 3.440 ( -5.759 16.602 20.792) 27.223 4.544 ( -9.887 2.752 48.788) 49.855 5.037 ( -8.673 1.263 -4.118) 9.684 5.608 ( -0.295 5.100 -21.485) 22.085 5.747 ( -2.227 2.972 -26.880) 27.135 6.633 ( -4.912 -6.629 22.095) 23.585 6.786 ( 1.834 -3.839 -3.091) 5.259 7.107 ( 3.178 -8.309 -2.645) 9.281 7.235 ( 2.476 -5.813 2.386) 6.753 7.565 ( 0.612 4.441 12.121) 12.923 7.871 ( -1.597 0.693 -9.066) 9.231 8.214 ( 6.649 2.172 7.620) 10.344 8.864 ( -0.264 2.410 12.976) 13.200 9.055 ( -4.133 3.829 9.013) 10.630 9.358 ( 4.978 -7.345 6.737) 11.141 9.906 ( 2.979 8.941 -0.639) 9.446 10.266 ( -13.606 1.065 7.516) 15.581 10.394 ( 4.885 5.006 9.205) 11.561 10.674 ( 3.079 5.373 5.652) 8.385 11.198 ( -0.517 -1.210 -3.865) 4.083 11.331 ( 1.744 -2.933 3.357) 4.787 11.768 ( -2.354 13.633 6.523) 15.295 11.870 ( -3.046 4.576 -14.029) 15.068 12.309 ( -11.189 14.233 7.820) 19.721 12.578 ( 7.471 3.075 -15.844) 17.785 13.334 ( 3.078 3.504 4.484) 6.470 13.378 ( -1.079 3.836 0.434) 4.008 13.534 ( 0.009 1.212 20.981) 21.016 15.437 ( 0.454 -9.762 -23.072) 25.056 15.837 ( 5.844 7.320 -32.220) 33.554 18.056 ( -7.716 -8.534 18.292) 21.610 19.383 ( 0.707 -5.512 -12.962) 14.103 19.779 ( 6.942 -13.162 4.048) 15.421 20.448 ( 10.373 -5.207 -6.866) 13.486 ======================= Grid point 361 (177/312) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 9.282 24.425 29.765) 39.607 3.051 ( 1.007 20.579 25.607) 32.867 3.776 ( -6.223 23.186 14.187) 27.885 4.753 ( 4.981 9.947 31.055) 32.988 4.971 ( -5.349 7.991 -2.420) 9.916 5.662 ( -2.675 4.281 -19.580) 20.220 5.750 ( 4.928 5.320 -14.259) 15.997 6.483 ( -8.203 -0.158 22.864) 24.291 6.717 ( -0.172 -4.400 -9.052) 10.066 6.899 ( 2.160 -12.390 -0.988) 12.616 7.142 ( 1.779 -9.820 -0.415) 9.989 7.668 ( -0.723 0.334 1.175) 1.419 7.793 ( -5.668 1.488 -1.807) 6.133 8.248 ( -1.648 -7.631 3.579) 8.589 8.770 ( -7.247 1.531 -0.449) 7.420 9.245 ( 4.485 -0.370 9.024) 10.083 9.398 ( -4.212 10.747 19.194) 22.397 9.957 ( -3.446 -4.782 5.011) 7.736 10.298 ( 3.564 11.338 0.044) 11.885 10.528 ( 9.351 -1.771 5.486) 10.986 10.915 ( 0.124 6.284 -5.944) 8.651 11.192 ( -3.369 -4.095 2.840) 6.016 11.372 ( 5.227 1.415 -3.121) 6.250 11.704 ( -4.939 4.692 4.088) 7.945 12.205 ( -4.340 16.451 21.304) 27.264 12.311 ( -2.998 8.997 -6.784) 11.660 12.790 ( -5.161 19.724 1.772) 20.465 13.353 ( -3.551 1.329 9.280) 10.025 13.514 ( 0.051 6.639 -0.102) 6.640 13.706 ( 1.218 7.120 10.188) 12.489 15.215 ( 7.022 -13.145 -19.752) 24.743 16.021 ( 7.617 7.975 -31.069) 32.968 17.757 ( -6.731 -13.031 18.977) 23.984 19.141 ( -1.710 -17.530 -1.347) 17.664 19.650 ( 3.955 -8.231 -7.764) 11.986 20.307 ( -2.104 -9.522 -17.719) 20.225 ======================= Grid point 362 (178/312) ======================= q-point: ( 0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( 15.483 21.095 27.010) 37.607 3.208 ( 5.737 14.895 25.404) 30.003 3.755 ( -0.370 22.645 15.735) 27.577 4.796 ( -6.286 12.617 -12.065) 18.554 5.066 ( 12.356 9.235 25.434) 29.746 5.528 ( -4.253 7.111 -21.737) 23.263 5.831 ( 7.732 9.420 -1.789) 12.318 6.377 ( -9.112 3.160 22.103) 24.116 6.676 ( -1.381 -8.927 -4.797) 10.228 6.945 ( 1.086 -9.987 0.126) 10.047 7.154 ( -0.235 -9.226 -1.481) 9.347 7.681 ( -3.858 -2.254 -1.768) 4.805 7.743 ( 7.911 -9.926 -2.737) 12.984 8.137 ( -9.336 -9.490 0.652) 13.329 8.690 ( -1.885 0.536 4.209) 4.643 9.291 ( -10.119 8.348 14.768) 19.753 9.323 ( -2.090 -1.556 9.439) 9.792 9.935 ( -2.913 -2.091 8.458) 9.187 10.380 ( 4.935 10.739 0.079) 11.819 10.609 ( -5.949 -2.165 1.326) 6.468 10.882 ( 1.652 2.450 -12.739) 13.077 11.207 ( 5.220 -0.187 6.230) 8.130 11.504 ( 9.072 4.083 -0.748) 9.977 11.689 ( 1.827 4.563 4.629) 6.752 12.162 ( -4.734 10.704 7.855) 14.096 12.265 ( -2.427 21.807 11.060) 24.572 12.715 ( -2.974 21.769 0.623) 21.980 13.300 ( -5.119 0.742 4.713) 6.998 13.497 ( -2.399 6.060 2.648) 7.035 13.724 ( -2.763 4.691 12.597) 13.723 15.335 ( 11.973 -13.508 -20.394) 27.235 16.069 ( 8.220 7.516 -31.029) 32.968 17.700 ( -5.841 -12.291 19.427) 23.719 19.060 ( -7.212 -19.217 2.065) 20.630 19.650 ( -0.824 -6.772 -10.498) 12.520 20.142 ( -7.672 -6.667 -13.976) 17.281 ======================= Grid point 363 (179/312) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 1.919 9.215 20.775) 22.808 3.530 ( 18.828 18.190 20.632) 33.332 3.895 ( 7.905 18.660 23.103) 30.731 4.632 ( -4.642 14.241 -15.031) 21.220 5.320 ( 3.755 -0.456 10.264) 10.939 5.349 ( -6.001 8.205 -20.965) 23.299 6.095 ( 16.372 14.384 17.021) 27.653 6.317 ( -3.915 -0.117 17.639) 18.069 6.619 ( -2.863 -10.945 -7.594) 13.626 6.927 ( -2.514 -8.312 0.716) 8.713 7.171 ( 4.238 -2.163 0.659) 4.803 7.600 ( -3.474 -9.506 -3.885) 10.841 7.929 ( 7.547 -8.901 -2.155) 11.867 7.985 ( -2.519 -10.100 1.678) 10.544 8.677 ( -2.414 -0.836 4.682) 5.334 9.069 ( -15.155 3.155 9.406) 18.113 9.276 ( -5.810 -6.794 3.793) 9.711 9.859 ( -7.720 -1.468 6.188) 10.002 10.349 ( -12.495 9.662 3.256) 16.127 10.566 ( 10.996 -3.996 -4.918) 12.692 10.939 ( 7.664 6.966 -9.742) 14.218 11.343 ( 2.909 13.960 12.208) 18.772 11.681 ( 6.829 5.764 -2.073) 9.174 11.781 ( 5.461 -0.360 8.155) 9.821 12.098 ( -2.711 17.764 -1.085) 18.002 12.292 ( -0.187 18.130 23.564) 29.732 12.665 ( -2.652 25.189 -2.620) 25.463 13.173 ( -9.057 0.625 1.856) 9.267 13.432 ( -5.537 8.934 5.478) 11.852 13.718 ( -2.288 0.379 16.491) 16.653 15.517 ( 13.452 -11.555 -21.711) 28.034 16.135 ( 9.480 3.356 -30.354) 31.976 17.667 ( -4.233 -11.263 20.064) 23.395 18.866 ( -14.065 -21.240 6.533) 26.299 19.567 ( -2.230 -2.953 -15.520) 15.955 19.962 ( -6.671 -7.638 -9.092) 13.620 ======================= Grid point 364 (180/312) ======================= q-point: ( 0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( -1.940 8.450 16.627) 18.751 4.001 ( 22.707 16.913 16.493) 32.767 4.172 ( 10.139 10.266 26.083) 29.808 4.550 ( 1.591 13.173 -8.933) 15.995 5.167 ( -3.904 8.295 -19.557) 21.599 5.302 ( -8.858 -4.274 15.664) 18.496 6.277 ( -8.438 -10.072 8.504) 15.651 6.391 ( 6.172 0.715 2.250) 6.608 6.568 ( 1.921 -5.211 -3.743) 6.697 6.870 ( -2.176 -5.943 -4.678) 7.870 7.354 ( 7.041 1.939 6.308) 9.650 7.561 ( 5.563 -8.982 3.673) 11.186 7.896 ( -1.804 -8.748 0.374) 8.940 8.162 ( 12.135 -4.857 -2.917) 13.392 8.578 ( -7.800 1.224 0.540) 7.914 8.848 ( -9.164 -7.308 7.788) 14.073 9.141 ( -7.259 -10.201 -6.080) 13.918 9.715 ( -7.478 -1.087 4.757) 8.929 10.130 ( -11.938 16.506 9.611) 22.524 10.851 ( 18.196 -3.718 -3.965) 18.990 11.086 ( 8.875 12.604 -3.953) 15.914 11.397 ( -0.114 20.328 11.043) 23.134 11.652 ( -6.778 3.143 -3.949) 8.451 11.956 ( 7.455 9.377 6.590) 13.672 12.065 ( -3.289 15.899 17.011) 23.515 12.412 ( 4.478 10.905 11.769) 16.658 12.565 ( -6.363 26.419 -4.879) 27.609 12.978 ( -10.721 2.165 1.421) 11.030 13.347 ( -5.084 13.420 9.452) 17.184 13.753 ( -0.505 -2.765 19.162) 19.367 15.679 ( 10.673 -5.422 -24.435) 27.210 16.230 ( 10.231 -5.253 -28.209) 30.464 17.682 ( -1.124 -9.954 21.148) 23.401 18.592 ( -15.630 -21.071 8.277) 27.510 19.485 ( -0.293 -2.791 -17.104) 17.333 19.811 ( -6.197 -9.634 -7.774) 13.844 ======================= Grid point 365 (181/312) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( -4.542 8.980 15.456) 18.443 4.306 ( -2.642 9.527 4.393) 10.819 4.482 ( 18.557 14.746 16.443) 28.847 4.747 ( 17.003 8.506 21.583) 28.762 5.131 ( 2.431 2.924 -5.682) 6.837 5.134 ( -8.152 -1.520 10.548) 13.417 6.049 ( -13.956 -14.989 -1.385) 20.527 6.377 ( -14.037 0.496 -6.852) 15.628 6.505 ( 0.229 -13.100 -8.424) 15.577 6.885 ( 4.453 -9.184 -1.677) 10.344 7.330 ( -4.847 -9.160 1.609) 10.488 7.678 ( -6.234 -12.262 -1.317) 13.818 8.015 ( 15.641 1.758 -6.242) 16.932 8.445 ( 16.406 6.582 9.638) 20.134 8.540 ( 6.475 -1.787 0.055) 6.717 8.723 ( -7.023 -6.330 5.781) 11.082 8.976 ( -5.735 -14.737 -11.976) 19.837 9.643 ( -1.480 4.668 5.672) 7.494 9.951 ( -10.400 22.621 15.713) 29.441 11.128 ( 6.519 3.593 1.716) 7.639 11.183 ( -0.625 22.271 1.105) 22.307 11.443 ( -1.876 2.537 -3.198) 4.493 11.559 ( 9.223 12.635 -2.402) 15.827 12.040 ( -5.706 11.180 38.178) 40.188 12.109 ( 3.033 11.111 -0.199) 11.519 12.340 ( -9.201 15.991 -5.615) 19.285 12.496 ( -5.068 11.516 0.647) 12.599 12.852 ( -0.670 8.816 5.548) 10.438 13.310 ( -2.332 17.274 9.712) 19.954 13.815 ( -0.698 -3.599 22.038) 22.341 15.759 ( 6.822 -0.152 -27.220) 28.063 16.303 ( 5.581 -11.985 -26.379) 29.507 17.788 ( 4.929 -9.377 22.591) 24.952 18.352 ( -11.429 -21.048 8.448) 25.398 19.439 ( 1.393 -4.578 -16.799) 17.468 19.671 ( -5.096 -10.284 -9.042) 14.611 ======================= Grid point 366 (182/312) ======================= q-point: (-0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( -7.021 8.538 16.084) 19.516 4.177 ( -9.827 13.322 1.320) 16.607 4.811 ( 4.378 7.110 30.441) 31.565 4.890 ( -13.596 0.527 20.471) 24.580 5.185 ( 16.454 2.764 8.012) 18.509 5.437 ( 25.196 6.009 -0.246) 25.903 5.750 ( -15.594 -14.504 -10.301) 23.657 5.961 ( -19.122 -5.252 -5.165) 20.492 6.498 ( -0.325 -14.423 -8.387) 16.688 6.974 ( 4.392 -9.134 -0.980) 10.182 7.209 ( -7.323 -8.157 -3.763) 11.590 7.524 ( -5.557 -13.006 -1.552) 14.229 8.230 ( 10.439 1.095 -17.583) 20.478 8.532 ( -7.909 -6.221 3.330) 10.599 8.693 ( 4.549 2.218 2.551) 5.667 8.865 ( 6.364 -22.847 -11.381) 26.306 8.901 ( 10.014 15.011 13.163) 22.336 9.672 ( 0.887 9.173 4.516) 10.263 9.908 ( 2.733 25.336 20.879) 32.944 11.027 ( -12.163 21.932 0.278) 25.081 11.146 ( -2.138 10.671 2.650) 11.201 11.407 ( -2.307 3.313 -6.822) 7.927 11.837 ( 13.374 10.952 2.974) 17.540 12.032 ( -10.076 6.623 8.083) 14.517 12.066 ( -3.544 9.740 31.289) 32.961 12.198 ( -10.764 1.091 -1.394) 10.908 12.411 ( 6.729 19.035 -4.901) 20.776 12.943 ( 5.445 11.048 6.020) 13.709 13.310 ( -0.934 19.562 7.404) 20.937 13.859 ( -3.320 -2.889 24.691) 25.080 15.768 ( 3.888 0.360 -27.862) 28.134 16.243 ( -2.196 -12.317 -26.563) 29.362 18.012 ( 7.125 -10.178 24.294) 27.286 18.231 ( -1.627 -22.151 7.743) 23.522 19.426 ( 3.029 -5.952 -16.378) 17.687 19.565 ( -1.755 -9.381 -11.171) 14.693 ======================= Grid point 367 (183/312) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( -9.967 8.001 17.925) 22.015 3.962 ( -13.868 14.071 5.484) 20.503 4.539 ( -24.091 7.119 22.019) 33.405 4.980 ( -4.406 -1.407 12.303) 13.144 5.280 ( -6.955 -2.704 10.895) 13.206 5.629 ( 11.032 -6.701 -5.554) 14.052 5.695 ( -6.811 -11.441 -7.852) 15.458 5.973 ( 23.079 12.975 13.741) 29.830 6.432 ( -2.291 -12.906 -10.037) 16.509 6.964 ( -4.652 -7.915 -5.329) 10.616 7.161 ( 5.921 -8.178 -2.077) 10.308 7.462 ( -1.855 -10.396 2.028) 10.753 8.265 ( -2.593 -4.475 -9.233) 10.582 8.403 ( -4.259 7.346 -5.531) 10.133 8.747 ( 3.564 -7.049 -4.223) 8.957 8.861 ( -1.705 2.316 4.984) 5.754 9.181 ( 10.256 -1.558 5.138) 11.576 9.685 ( 0.564 10.770 3.151) 11.235 10.165 ( 12.404 20.786 14.801) 28.373 10.817 ( -8.263 21.896 1.221) 23.435 11.121 ( -0.602 7.443 -0.726) 7.502 11.267 ( -8.984 5.602 -0.138) 10.588 11.790 ( -18.408 -5.174 2.743) 19.317 11.972 ( -9.198 8.217 19.717) 23.257 12.044 ( 6.792 15.392 1.365) 16.879 12.158 ( 3.423 8.203 12.218) 15.109 12.649 ( 14.778 13.537 -0.277) 20.042 13.069 ( 5.683 9.084 4.685) 11.694 13.319 ( -0.217 20.480 4.827) 21.042 13.841 ( -7.560 -1.298 25.723) 26.843 15.713 ( -0.842 -4.585 -25.929) 26.344 16.080 ( -3.237 -6.774 -28.869) 29.829 18.053 ( -5.967 -15.415 17.041) 23.740 18.469 ( 16.459 -20.393 14.928) 30.160 19.429 ( 2.574 -6.949 -16.756) 18.321 19.564 ( 6.750 -6.201 -12.217) 15.273 ======================= Grid point 368 (184/312) ======================= q-point: (-0.30 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -13.148 9.715 19.273) 25.273 3.622 ( -24.558 8.599 9.536) 27.713 4.181 ( -15.956 21.888 12.825) 29.969 4.793 ( -13.629 -3.432 17.647) 22.560 5.295 ( -2.509 1.844 17.734) 18.006 5.580 ( -0.549 -14.833 -12.802) 19.602 5.801 ( 5.828 -8.513 -4.861) 11.405 6.342 ( 7.710 7.532 8.562) 13.766 6.421 ( 7.219 -3.682 -6.361) 10.302 6.908 ( 2.164 -7.439 -4.866) 9.149 7.283 ( 3.857 0.820 -9.283) 10.086 7.471 ( 1.613 -11.020 18.320) 21.440 8.165 ( -5.637 -3.080 4.040) 7.588 8.267 ( -5.399 12.178 -13.363) 18.868 8.817 ( 4.505 -11.369 -6.623) 13.907 8.906 ( 4.492 9.983 12.946) 16.954 9.249 ( -3.681 1.237 -1.713) 4.244 9.788 ( 9.209 1.138 1.363) 9.379 10.322 ( -0.327 15.684 3.715) 16.122 10.740 ( -2.826 20.497 4.884) 21.260 11.071 ( -4.470 5.730 -0.628) 7.295 11.177 ( 0.757 0.490 -0.183) 0.921 11.422 ( -17.577 0.560 3.036) 17.846 11.902 ( -5.837 4.697 21.050) 22.344 12.167 ( 4.634 17.160 6.447) 18.908 12.255 ( 2.808 2.594 5.678) 6.845 12.895 ( 9.002 17.171 -0.533) 19.395 13.204 ( 7.055 5.659 5.562) 10.617 13.346 ( 2.086 18.996 2.294) 19.248 13.741 ( -11.209 0.458 24.121) 26.603 15.546 ( -6.979 -12.114 -23.260) 27.139 15.974 ( 2.901 1.528 -31.105) 31.278 17.984 ( -6.764 -15.468 16.715) 23.757 18.822 ( 13.635 -23.800 12.466) 30.129 19.427 ( 3.809 -5.223 -17.283) 18.453 19.745 ( 15.674 -4.901 -11.461) 20.027 ======================= Grid point 369 (185/312) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -17.004 14.668 18.559) 29.133 3.193 ( -19.861 13.206 17.104) 29.350 3.998 ( -9.446 26.914 14.524) 32.008 4.645 ( -9.343 0.780 27.833) 29.370 5.216 ( -7.744 -0.773 3.739) 8.634 5.604 ( 5.729 -6.123 -9.923) 12.991 5.830 ( 0.439 -6.131 -8.962) 10.868 6.448 ( 3.198 -3.335 6.491) 7.968 6.557 ( 6.437 -4.661 -2.393) 8.299 6.998 ( 6.735 -5.424 -2.932) 9.131 7.191 ( -7.061 0.503 -13.089) 14.881 7.624 ( 2.245 4.183 29.793) 30.169 8.008 ( -8.316 3.082 -5.373) 10.369 8.234 ( 2.608 4.292 -3.408) 6.070 8.877 ( 2.831 0.263 2.914) 4.071 9.079 ( 4.637 1.554 10.316) 11.416 9.151 ( 0.216 1.118 -2.056) 2.350 9.965 ( 7.579 -1.607 -2.982) 8.302 10.286 ( -1.536 8.073 1.873) 8.429 10.582 ( -14.622 3.721 1.436) 15.157 10.989 ( -4.393 11.388 -1.879) 12.350 11.205 ( 2.323 5.994 2.657) 6.956 11.258 ( -1.800 1.679 5.222) 5.773 11.871 ( -4.731 2.392 17.282) 18.077 12.224 ( -2.581 18.956 13.490) 23.409 12.335 ( 5.052 -3.046 -3.401) 6.809 12.962 ( -1.209 21.417 -0.126) 21.451 13.387 ( 8.423 4.207 5.544) 10.926 13.408 ( 3.082 14.687 2.215) 15.170 13.596 ( -10.037 2.588 19.285) 21.895 15.336 ( -5.682 -13.872 -21.627) 26.314 15.960 ( 6.035 4.990 -31.285) 32.250 17.907 ( -7.159 -14.606 17.609) 23.973 19.052 ( 6.902 -23.812 5.740) 25.448 19.472 ( 6.469 -4.101 -14.789) 16.655 20.050 ( 18.172 -7.540 -12.432) 23.273 ======================= Grid point 370 (186/312) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -8.607 22.154 24.088) 33.840 3.018 ( -6.784 19.589 23.720) 31.502 3.875 ( -8.641 25.080 15.076) 30.512 4.626 ( -3.144 5.819 33.025) 33.681 5.083 ( -5.916 2.512 -1.247) 6.547 5.687 ( 5.734 1.416 -10.859) 12.361 5.773 ( -1.419 -1.282 -17.186) 17.292 6.505 ( -1.240 -6.342 15.304) 16.612 6.676 ( 6.402 -6.298 -3.673) 9.702 6.984 ( -8.354 -3.383 -10.611) 13.922 7.096 ( 3.660 -7.066 -1.390) 8.078 7.698 ( -2.797 10.753 13.785) 17.705 7.886 ( -4.021 -1.271 2.269) 4.789 8.241 ( -0.056 1.432 -2.063) 2.512 8.903 ( -4.056 1.374 2.107) 4.772 9.113 ( 5.125 -1.215 2.579) 5.864 9.316 ( 5.410 6.421 18.286) 20.121 10.033 ( -0.646 2.382 -3.983) 4.686 10.272 ( -2.071 -8.094 -3.632) 9.110 10.380 ( -0.375 6.833 9.191) 11.459 10.928 ( -1.175 11.791 -1.008) 11.893 11.240 ( -2.140 -1.783 3.816) 4.724 11.289 ( 4.421 6.267 -0.330) 7.677 11.809 ( -6.651 0.824 9.390) 11.537 12.209 ( -3.119 20.112 15.205) 25.405 12.375 ( -0.247 -1.813 -4.544) 4.899 12.892 ( -5.330 21.470 1.190) 22.154 13.402 ( -5.412 3.006 12.912) 14.320 13.497 ( 2.086 7.391 -2.448) 8.060 13.606 ( 4.671 8.197 11.498) 14.874 15.210 ( 0.327 -13.264 -20.154) 24.129 15.983 ( 7.125 6.796 -31.129) 32.649 17.829 ( -7.153 -13.751 18.426) 24.079 19.142 ( 1.978 -19.614 -0.349) 19.716 19.567 ( 7.016 -6.412 -9.786) 13.642 20.291 ( 10.165 -10.547 -16.366) 21.964 ======================= Grid point 371 (187/312) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( 8.240 27.326 23.079) 36.705 3.413 ( -0.535 17.311 19.056) 25.750 4.199 ( -6.198 18.498 19.047) 27.265 4.951 ( 9.625 7.901 7.423) 14.497 5.102 ( -0.003 5.996 -0.255) 6.001 5.678 ( 2.158 -3.401 -14.832) 15.369 5.768 ( 5.683 -3.934 8.222) 10.741 6.420 ( 2.011 -9.448 11.722) 15.189 6.690 ( -4.914 3.016 -4.457) 7.287 6.743 ( -1.496 -2.400 -9.346) 9.765 6.981 ( -0.599 -4.303 -8.504) 9.549 7.616 ( -5.943 -5.776 -6.140) 10.314 7.957 ( -10.765 13.592 8.469) 19.297 8.133 ( -7.410 -2.632 -4.885) 9.257 8.799 ( -6.948 2.714 2.807) 7.970 9.258 ( 5.849 2.844 6.053) 8.885 9.644 ( -6.923 10.418 8.763) 15.272 9.853 ( 3.518 -3.525 7.304) 8.840 10.329 ( 10.185 -5.737 0.174) 11.691 10.677 ( 3.329 12.436 6.507) 14.425 10.824 ( -0.697 -12.633 -15.796) 20.238 11.087 ( -4.750 -5.545 2.419) 7.692 11.387 ( 0.436 -0.255 2.300) 2.355 11.800 ( -1.033 0.071 5.252) 5.353 12.487 ( -3.144 18.047 15.042) 23.703 12.597 ( -2.825 16.536 27.448) 32.169 13.173 ( -4.446 17.800 7.985) 20.009 13.387 ( -4.681 2.368 11.633) 12.761 13.640 ( -0.764 5.743 0.718) 5.838 13.918 ( -0.639 14.614 6.508) 16.010 14.950 ( 5.646 -13.128 -16.165) 21.576 16.091 ( 6.506 -3.567 -23.668) 24.804 17.536 ( -5.242 -6.823 14.841) 17.155 18.731 ( -1.823 -22.801 3.169) 23.093 19.568 ( 5.774 -1.113 -21.288) 22.085 20.093 ( 1.761 -11.817 -25.007) 27.714 ======================= Grid point 372 (188/312) ======================= q-point: ( 0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.457 ( 2.153 16.010 18.001) 24.187 3.538 ( 11.717 20.900 21.322) 32.074 4.191 ( -0.701 21.154 16.673) 26.944 5.057 ( -3.644 13.288 -5.990) 15.025 5.163 ( 8.639 0.701 2.203) 8.943 5.640 ( -1.492 2.888 -13.776) 14.154 5.944 ( 9.824 0.278 11.684) 15.268 6.448 ( -5.417 -11.874 -7.153) 14.883 6.511 ( -6.992 5.931 13.191) 16.064 6.772 ( 3.913 -4.598 2.460) 6.520 6.984 ( 3.291 -7.445 -6.595) 10.476 7.542 ( 0.164 -8.829 -6.502) 10.966 7.727 ( -10.664 5.749 -0.823) 12.142 7.969 ( -9.120 -7.309 -1.513) 11.785 8.712 ( -3.568 3.058 7.026) 8.452 9.305 ( -4.544 1.494 5.371) 7.192 9.464 ( -11.794 5.461 1.606) 13.096 9.954 ( 1.834 3.903 11.628) 12.401 10.362 ( -7.185 -11.216 -1.190) 13.373 10.638 ( -4.115 3.256 -2.706) 5.905 10.894 ( 11.145 0.364 -13.701) 17.666 11.181 ( 13.273 -1.661 7.967) 15.569 11.527 ( 10.780 -0.936 5.890) 12.320 11.817 ( 1.395 4.931 2.057) 5.522 12.476 ( -3.524 20.723 17.435) 27.310 12.631 ( -3.932 17.051 29.768) 34.530 13.137 ( -2.202 18.774 7.104) 20.194 13.321 ( -6.037 1.766 7.586) 9.855 13.617 ( -1.601 5.654 1.784) 6.141 13.897 ( -4.020 13.990 9.068) 17.150 15.050 ( 10.502 -15.040 -17.039) 25.036 16.127 ( 5.380 -4.359 -23.318) 24.324 17.489 ( -4.601 -6.486 13.994) 16.096 18.649 ( -7.914 -21.876 3.647) 23.547 19.573 ( 2.126 -1.605 -21.182) 21.348 19.977 ( -4.551 -9.437 -22.576) 24.889 ======================= Grid point 373 (189/312) ======================= q-point: ( 0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 0.462 12.463 15.539) 19.925 3.883 ( 15.746 16.589 18.805) 29.610 4.284 ( 4.379 20.926 15.846) 26.612 4.937 ( -4.890 16.490 -11.715) 20.811 5.253 ( 0.168 -5.328 -0.078) 5.331 5.514 ( -6.978 7.293 -10.873) 14.836 6.171 ( 5.713 -4.637 7.227) 10.314 6.310 ( -5.824 -7.646 4.510) 10.617 6.398 ( -5.645 -9.851 -0.713) 11.376 6.891 ( 4.909 5.955 -5.678) 9.581 7.122 ( 13.238 -4.178 12.104) 18.418 7.428 ( -9.862 -7.820 -5.917) 13.907 7.699 ( 6.816 -10.683 -3.674) 13.193 7.820 ( -4.333 -6.560 2.601) 8.281 8.682 ( -3.002 2.370 7.592) 8.501 9.068 ( -17.918 -0.541 0.780) 17.943 9.270 ( -8.721 1.733 -4.800) 10.104 9.916 ( -10.084 7.167 7.466) 14.450 10.262 ( 2.311 -13.542 1.608) 13.832 10.649 ( 5.138 7.516 -1.073) 9.167 11.089 ( 12.211 8.258 -7.812) 16.683 11.481 ( 11.349 -1.750 10.848) 15.797 11.783 ( 10.999 2.549 6.267) 12.913 11.859 ( 3.429 9.843 0.696) 10.447 12.456 ( -5.515 19.905 19.418) 28.349 12.651 ( -4.321 17.441 29.703) 34.715 13.113 ( -2.925 18.735 4.339) 19.452 13.199 ( -8.315 2.381 4.691) 9.840 13.606 ( -0.401 6.484 4.917) 8.147 13.841 ( -4.918 15.613 12.127) 20.372 15.236 ( 14.435 -16.649 -17.700) 28.264 16.139 ( 3.935 -5.790 -23.289) 24.318 17.459 ( -2.857 -7.528 12.707) 15.044 18.454 ( -13.197 -20.551 4.559) 24.845 19.512 ( -0.573 -2.196 -21.832) 21.949 19.796 ( -6.340 -8.796 -19.017) 21.891 ======================= Grid point 374 (190/312) ======================= q-point: ( 0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.580 ( -0.576 12.633 13.790) 18.710 4.278 ( 18.467 10.100 17.668) 27.481 4.455 ( 7.676 18.527 13.973) 24.442 4.823 ( -1.766 14.192 -12.551) 19.028 5.189 ( -7.008 -6.261 5.998) 11.149 5.329 ( -7.671 7.535 -7.686) 13.217 6.084 ( -14.512 -10.303 6.357) 18.899 6.213 ( -0.445 -14.359 -6.858) 15.919 6.433 ( 1.830 -9.716 4.969) 11.066 6.870 ( -2.868 4.106 -17.743) 18.437 7.243 ( -5.624 -8.316 0.949) 10.083 7.445 ( 6.241 -12.266 7.318) 15.587 7.764 ( 8.164 -2.962 -3.377) 9.318 7.948 ( 12.060 -13.267 3.707) 18.308 8.609 ( -6.707 2.149 2.161) 7.367 8.800 ( -6.085 4.890 3.542) 8.572 9.057 ( -9.991 -0.961 -7.860) 12.748 9.784 ( -3.706 6.958 6.562) 10.257 10.341 ( 0.970 3.124 9.726) 10.261 10.832 ( 13.669 2.598 0.320) 13.918 11.297 ( 10.444 9.804 -1.722) 14.427 11.633 ( 0.704 0.067 5.879) 5.921 11.865 ( 1.194 18.666 5.100) 19.387 12.045 ( 8.590 0.820 6.222) 10.638 12.384 ( -8.769 17.334 21.024) 28.624 12.638 ( -7.921 11.108 22.364) 26.197 13.031 ( -7.141 15.270 0.294) 16.860 13.083 ( -2.853 13.067 7.060) 15.124 13.644 ( 1.658 9.139 10.015) 13.659 13.803 ( -3.456 16.592 13.748) 21.822 15.464 ( 14.462 -16.244 -18.161) 28.335 16.123 ( 2.631 -8.027 -23.294) 24.778 17.474 ( 0.431 -9.590 11.578) 15.040 18.193 ( -14.732 -19.118 5.662) 24.791 19.419 ( -0.925 -3.488 -22.194) 22.486 19.615 ( -5.848 -9.740 -16.966) 20.418 ======================= Grid point 375 (191/312) ======================= q-point: ( 0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.589 ( -3.345 13.944 12.692) 19.149 4.533 ( -0.186 12.848 6.779) 14.528 4.754 ( 15.166 12.765 5.650) 20.612 4.844 ( 9.240 -1.219 7.422) 11.914 5.065 ( -9.212 -1.118 23.902) 25.640 5.231 ( 4.210 5.131 -14.058) 15.546 5.788 ( -16.798 -11.784 1.975) 20.614 6.199 ( 0.121 -17.157 -8.735) 19.253 6.300 ( -16.244 -7.677 -3.547) 18.314 6.783 ( 2.562 0.476 -11.876) 12.159 7.216 ( -0.739 -2.217 2.162) 3.184 7.352 ( -9.729 -21.717 -2.858) 23.968 7.983 ( 12.413 -5.899 -14.671) 20.103 8.177 ( 8.908 -19.840 1.172) 21.779 8.547 ( 1.430 0.197 -0.379) 1.492 8.747 ( -6.306 -3.508 -4.956) 8.754 9.011 ( 10.839 20.458 11.446) 25.827 9.812 ( 2.982 11.005 8.336) 14.125 10.353 ( -3.178 16.355 15.253) 22.588 11.102 ( 10.341 -2.380 1.699) 10.747 11.448 ( 2.853 3.393 2.706) 5.194 11.600 ( -1.249 11.137 -0.351) 11.212 11.920 ( 2.537 20.134 7.093) 21.497 12.169 ( 0.882 -1.541 9.884) 10.043 12.272 ( -10.049 11.251 21.329) 26.124 12.470 ( -14.117 7.019 16.167) 22.582 12.876 ( -6.903 17.296 -3.173) 18.891 13.152 ( 4.983 20.742 10.825) 23.922 13.722 ( 1.742 14.574 13.153) 19.709 13.795 ( -2.420 12.664 14.521) 19.418 15.634 ( 8.731 -14.302 -19.394) 25.630 16.084 ( 1.480 -10.330 -23.222) 25.459 17.569 ( 5.778 -12.471 10.859) 17.516 17.953 ( -11.716 -18.321 7.249) 22.923 19.338 ( 0.605 -5.290 -22.190) 22.820 19.462 ( -3.710 -10.326 -16.885) 20.137 ======================= Grid point 376 (192/312) ======================= q-point: (-0.50 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.536 ( -6.473 14.762 12.708) 20.526 4.435 ( -8.601 12.548 -3.096) 15.524 4.848 ( -9.202 -4.936 19.359) 21.996 4.955 ( 1.257 6.481 22.970) 23.900 5.199 ( 9.832 -0.694 1.366) 9.951 5.434 ( -11.965 -12.294 -8.717) 19.243 5.560 ( 23.042 1.766 4.919) 23.627 5.888 ( -16.980 -2.338 -6.333) 18.272 6.199 ( 0.744 -15.434 -9.044) 17.904 6.831 ( 3.597 -3.436 -6.519) 8.200 7.054 ( -10.597 -11.211 -5.623) 16.419 7.299 ( 1.708 -7.210 0.119) 7.411 8.100 ( 3.924 -12.307 -11.010) 16.973 8.312 ( 7.880 -18.370 -13.707) 24.237 8.581 ( -0.983 -2.626 -5.242) 5.945 8.692 ( 7.476 -1.364 -1.438) 7.734 9.321 ( 10.526 24.466 15.804) 30.970 9.907 ( 2.435 13.401 8.291) 15.945 10.384 ( 2.223 22.056 19.139) 29.287 11.137 ( -5.517 -0.657 -2.607) 6.137 11.420 ( -4.048 4.114 4.300) 7.198 11.619 ( -1.995 17.861 5.338) 18.748 11.972 ( -9.222 -2.456 3.873) 10.300 12.097 ( -0.787 11.225 6.910) 13.205 12.207 ( -4.102 2.033 21.272) 21.759 12.317 ( -7.407 10.242 21.757) 25.162 12.811 ( 2.738 20.742 -2.673) 21.092 13.283 ( 4.296 22.256 8.272) 24.129 13.775 ( -0.727 27.134 9.583) 28.786 13.809 ( -2.191 -1.091 20.263) 20.410 15.650 ( -0.342 -14.599 -20.312) 25.017 16.026 ( 1.074 -9.214 -24.098) 25.822 17.769 ( 7.575 -20.965 7.336) 23.468 17.806 ( -3.012 -13.001 12.088) 18.006 19.297 ( 2.778 -6.772 -22.436) 23.600 19.374 ( 1.310 -9.594 -17.672) 20.151 ======================= Grid point 377 (193/312) ======================= q-point: (-0.40 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( -8.417 15.479 13.903) 22.444 4.197 ( -16.457 10.434 2.022) 19.591 4.697 ( -12.534 6.085 25.980) 29.480 4.963 ( -10.028 0.849 -5.218) 11.337 5.178 ( 0.140 -9.389 10.777) 14.294 5.341 ( -1.238 -11.004 -3.583) 11.638 5.633 ( -2.309 -1.872 -2.966) 4.199 6.140 ( 13.888 -7.562 -1.325) 15.868 6.256 ( 19.286 4.035 0.326) 19.706 6.789 ( -5.070 -10.885 -4.481) 12.817 6.969 ( 4.785 -7.719 -6.199) 10.996 7.326 ( 0.653 -3.865 -0.787) 3.998 8.084 ( -1.934 -10.986 -1.410) 11.243 8.389 ( 6.362 -18.378 -21.472) 28.970 8.594 ( 4.222 5.034 -7.623) 10.064 8.877 ( 9.616 -2.078 -1.292) 9.922 9.448 ( -1.818 23.685 16.075) 28.682 9.938 ( -1.473 13.852 4.475) 14.631 10.550 ( 6.064 17.555 13.399) 22.901 11.003 ( -5.323 1.245 -2.156) 5.877 11.305 ( -9.504 2.476 2.938) 10.251 11.526 ( -9.912 21.360 9.793) 25.504 11.688 ( -14.347 -3.606 6.457) 16.141 12.060 ( -8.516 1.486 17.671) 19.673 12.278 ( 0.307 6.947 3.078) 7.605 12.349 ( 4.748 11.943 25.626) 28.668 12.962 ( 11.366 18.127 2.977) 21.602 13.361 ( 1.433 20.600 5.366) 21.335 13.777 ( -2.141 19.538 10.888) 22.469 13.820 ( -4.171 5.277 19.038) 20.191 15.494 ( -7.814 -17.033 -20.238) 27.581 15.979 ( 2.989 -5.572 -25.296) 26.074 17.720 ( -4.505 -17.233 10.306) 20.579 18.072 ( 14.061 -19.464 9.576) 25.851 19.288 ( 4.535 -6.834 -22.680) 24.117 19.417 ( 9.486 -8.376 -18.770) 22.637 ======================= Grid point 378 (194/312) ======================= q-point: (-0.30 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( -8.841 17.887 14.722) 24.796 3.817 ( -22.488 11.862 7.947) 26.638 4.556 ( -11.482 10.613 26.637) 30.887 4.774 ( -4.363 6.163 -7.678) 10.769 5.209 ( -5.689 -17.491 -5.979) 19.341 5.303 ( 3.902 -4.687 14.022) 15.291 5.653 ( 2.140 -6.825 -1.554) 7.319 6.255 ( 7.440 -6.470 -7.270) 12.250 6.564 ( 0.902 2.702 -3.756) 4.714 6.811 ( 9.191 2.075 -6.716) 11.571 7.182 ( 17.498 -12.204 4.851) 21.878 7.314 ( -0.539 -2.962 2.830) 4.132 8.073 ( 1.233 -5.605 6.013) 8.312 8.412 ( 1.511 -8.658 -21.555) 23.278 8.634 ( 3.348 4.589 -6.050) 8.299 9.041 ( 8.233 1.485 0.085) 8.367 9.422 ( -5.653 17.830 10.638) 21.518 9.896 ( -1.783 9.164 -0.408) 9.345 10.596 ( -5.079 10.461 1.744) 11.759 10.888 ( -9.755 -1.259 -2.496) 10.147 11.101 ( -9.053 -1.226 4.153) 10.036 11.382 ( -6.354 8.587 15.754) 19.034 11.535 ( -5.062 14.507 3.207) 15.696 11.957 ( -8.212 0.133 20.380) 21.973 12.305 ( 1.298 6.987 5.862) 9.212 12.507 ( 2.054 13.471 24.082) 27.670 13.203 ( 10.435 14.621 3.678) 18.336 13.389 ( 0.142 14.810 6.984) 16.375 13.749 ( -7.854 0.246 20.086) 21.568 13.796 ( -0.645 25.101 5.256) 25.654 15.251 ( -9.153 -17.221 -19.653) 27.688 15.971 ( 4.983 -3.801 -25.445) 26.205 17.676 ( -4.194 -14.277 12.186) 19.234 18.359 ( 12.050 -23.120 7.066) 27.012 19.326 ( 7.309 -4.714 -23.162) 24.741 19.602 ( 15.823 -9.048 -19.629) 26.786 ======================= Grid point 379 (195/312) ======================= q-point: (-0.20 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.183 ( -9.936 22.681 14.842) 28.870 3.484 ( -13.697 16.464 15.320) 26.332 4.422 ( -11.700 11.562 26.636) 31.305 4.731 ( 0.730 11.967 -1.368) 12.067 5.103 ( -2.901 -11.497 -1.633) 11.970 5.446 ( 6.831 -9.264 6.374) 13.157 5.681 ( 1.455 -8.180 -2.266) 8.611 6.362 ( 3.738 -6.589 -3.078) 8.177 6.542 ( 2.572 2.196 -7.872) 8.568 6.900 ( 3.392 -2.444 -9.649) 10.515 7.203 ( -4.302 0.549 -9.247) 10.214 7.618 ( 12.572 -6.858 20.773) 25.231 8.149 ( -2.858 9.454 5.644) 11.375 8.298 ( 0.466 2.989 -9.435) 9.908 8.754 ( 9.836 -5.337 -3.778) 11.811 9.171 ( 0.638 0.712 -6.465) 6.535 9.321 ( -1.218 17.716 11.198) 20.994 9.932 ( 5.835 -0.104 -1.322) 5.983 10.364 ( -17.695 -2.660 -5.344) 18.675 10.654 ( -7.833 5.900 -0.619) 9.826 11.034 ( -3.135 -1.705 4.933) 6.089 11.287 ( -8.854 1.296 9.524) 13.068 11.509 ( 0.150 14.875 1.597) 14.962 11.880 ( -6.746 -2.541 18.426) 19.785 12.371 ( 2.655 9.313 10.311) 14.146 12.584 ( -2.623 15.706 24.498) 29.218 13.296 ( -1.478 15.435 3.216) 15.835 13.472 ( 3.007 4.892 12.607) 13.853 13.636 ( -7.661 5.307 12.871) 15.890 13.825 ( 1.895 21.572 2.938) 21.853 15.043 ( -5.091 -15.234 -17.985) 24.113 15.996 ( 6.308 -3.269 -25.003) 25.993 17.634 ( -4.684 -11.161 13.784) 18.344 18.575 ( 8.082 -24.303 4.797) 26.057 19.407 ( 8.891 -2.392 -23.055) 24.825 19.859 ( 16.712 -11.317 -21.685) 29.624 ======================= Grid point 380 (196/312) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -3.222 27.542 19.808) 34.077 3.387 ( -3.968 18.565 18.762) 26.691 4.290 ( -10.170 14.953 22.922) 29.196 4.787 ( 4.659 10.539 5.220) 12.650 5.086 ( 0.650 -2.375 1.099) 2.697 5.604 ( 7.760 -9.649 0.589) 12.396 5.696 ( 1.153 -6.199 -2.839) 6.915 6.378 ( -0.118 -8.153 2.505) 8.530 6.627 ( 7.221 2.591 -8.220) 11.244 6.880 ( -2.791 -5.476 -8.684) 10.639 7.072 ( -5.204 3.106 -9.266) 11.072 7.758 ( -3.748 -10.531 1.630) 11.297 8.016 ( -4.427 19.530 11.519) 23.102 8.315 ( -5.426 6.474 -2.855) 8.917 8.890 ( 0.526 -2.040 -0.562) 2.181 9.112 ( 3.922 2.803 0.524) 4.849 9.517 ( 11.269 11.802 13.214) 20.997 9.986 ( -14.657 -6.908 -4.511) 16.820 10.101 ( 9.794 -6.096 -0.192) 11.538 10.604 ( 1.428 12.059 1.156) 12.198 10.945 ( -6.358 -7.343 -3.471) 10.315 11.165 ( -5.349 -3.361 6.043) 8.742 11.469 ( -5.256 6.205 0.116) 8.133 11.822 ( -4.279 -2.402 11.985) 12.951 12.460 ( 1.476 11.984 13.399) 18.037 12.584 ( -5.131 17.818 24.939) 31.076 13.245 ( -4.798 15.772 6.309) 17.651 13.451 ( -7.197 2.531 16.143) 17.855 13.628 ( 1.586 6.303 2.113) 6.834 13.881 ( 2.209 17.908 4.031) 18.488 14.943 ( 0.630 -13.088 -16.323) 20.932 16.041 ( 6.858 -3.237 -24.317) 25.472 17.587 ( -5.156 -8.498 14.785) 17.816 18.702 ( 3.524 -23.768 3.506) 24.282 19.501 ( 8.379 -1.132 -22.204) 23.759 20.057 ( 10.762 -12.905 -24.372) 29.603 ======================= Grid point 381 (197/312) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( 2.002 19.282 14.452) 24.180 3.737 ( 0.649 16.566 14.676) 22.141 4.469 ( -0.340 9.754 24.017) 25.925 4.937 ( 8.391 -8.447 3.194) 12.327 5.293 ( 4.340 11.397 -0.689) 12.215 5.543 ( 5.830 -7.123 -4.995) 10.473 5.673 ( 6.216 -3.098 12.689) 14.466 6.149 ( 2.207 -17.194 0.755) 17.351 6.714 ( -2.911 1.457 -10.317) 10.818 6.770 ( -3.166 0.535 -10.395) 10.880 7.049 ( -3.713 9.895 -7.102) 12.733 7.466 ( -3.223 -9.213 -1.871) 9.938 8.099 ( -10.937 3.534 -10.618) 15.648 8.223 ( -17.210 4.538 -11.624) 21.258 8.995 ( -6.550 20.370 14.792) 26.013 9.348 ( 6.965 5.953 3.396) 9.772 9.626 ( -3.615 -7.228 -0.182) 8.084 9.961 ( -5.406 3.646 7.069) 9.617 10.126 ( 12.778 -10.677 4.095) 17.148 10.531 ( 6.309 -14.035 -8.753) 17.703 10.874 ( -6.202 5.635 6.655) 10.700 11.023 ( -3.337 -1.283 9.671) 10.310 11.401 ( 0.892 3.628 0.875) 3.838 11.714 ( 3.588 -7.351 -0.783) 8.218 12.780 ( -2.334 10.686 29.088) 31.077 12.872 ( -3.227 8.644 29.632) 31.035 13.436 ( -7.133 5.269 14.839) 17.286 13.486 ( -4.312 8.634 9.048) 13.229 13.774 ( 0.198 10.964 0.858) 10.999 14.188 ( 0.316 6.767 1.752) 6.998 14.810 ( 1.867 5.241 -7.781) 9.566 15.810 ( 2.486 -24.595 -8.105) 26.015 17.573 ( -1.986 10.386 4.010) 11.309 18.289 ( -0.668 -22.224 0.856) 22.250 19.589 ( 6.739 3.221 -28.678) 29.635 19.870 ( 4.755 -10.660 -30.250) 32.424 ======================= Grid point 382 (198/312) ======================= q-point: ( 0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( -0.368 13.665 12.386) 18.447 3.895 ( 7.233 12.434 15.493) 21.141 4.570 ( 3.332 17.991 16.488) 24.630 5.093 ( 6.219 -5.332 0.338) 8.199 5.329 ( -0.365 11.904 -3.483) 12.409 5.607 ( 2.288 -4.904 -4.077) 6.775 5.873 ( 8.011 -5.290 14.917) 17.739 6.165 ( -2.017 -15.475 -2.031) 15.737 6.532 ( -11.576 0.460 -8.639) 14.452 6.754 ( 3.964 -5.992 4.451) 8.451 6.991 ( 1.452 10.884 -9.372) 14.436 7.401 ( -1.923 -7.058 -7.452) 10.442 7.816 ( -14.317 1.700 -10.688) 17.947 7.895 ( -11.118 -0.125 -4.110) 11.854 8.883 ( -7.585 15.800 11.659) 21.050 9.343 ( -9.407 1.357 0.952) 9.552 9.511 ( -9.648 0.575 -3.178) 10.175 9.887 ( 0.834 -16.503 5.096) 17.291 10.261 ( -6.029 6.662 7.223) 11.528 10.606 ( 3.303 -5.762 -3.666) 7.586 10.915 ( 13.678 1.983 -1.614) 13.915 11.119 ( 9.056 -5.851 11.035) 15.428 11.576 ( 13.796 6.988 3.361) 15.826 11.839 ( 8.359 -2.351 0.272) 8.687 12.815 ( -4.483 12.347 30.318) 33.041 12.911 ( -3.820 9.451 31.695) 33.294 13.347 ( -7.086 3.768 13.004) 15.281 13.421 ( -5.867 5.472 10.537) 13.244 13.781 ( 1.151 13.900 -2.224) 14.123 14.203 ( 0.527 10.859 3.532) 11.431 14.841 ( 4.633 0.048 -9.338) 10.425 15.824 ( 1.596 -25.914 -6.937) 26.874 17.531 ( -3.427 10.491 2.302) 11.274 18.227 ( -5.885 -21.215 0.337) 22.018 19.580 ( 2.222 2.244 -27.856) 28.034 19.798 ( -1.420 -8.505 -28.767) 30.031 ======================= Grid point 383 (199/312) ======================= q-point: ( 0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.792 ( 1.159 13.999 11.530) 18.173 4.105 ( 9.202 4.401 15.267) 18.361 4.697 ( 5.124 20.737 8.630) 23.039 5.158 ( 0.037 -3.632 -1.712) 4.016 5.257 ( -4.415 15.873 -6.591) 17.745 5.583 ( -4.846 -0.595 1.479) 5.102 5.992 ( -1.773 -13.036 3.970) 13.742 6.047 ( -7.426 -15.105 -7.526) 18.438 6.330 ( -4.963 4.320 2.719) 7.119 6.856 ( 3.451 -14.322 -0.751) 14.751 7.080 ( 8.337 3.446 -2.717) 9.421 7.290 ( -6.853 -6.536 -15.081) 17.808 7.624 ( -0.397 1.973 -4.192) 4.650 7.746 ( -4.121 -1.928 5.213) 6.919 8.799 ( -5.504 9.326 9.180) 14.196 9.060 ( -15.104 -1.532 -3.402) 15.558 9.315 ( -9.273 4.886 -3.663) 11.103 9.862 ( -5.350 -16.874 2.334) 17.855 10.224 ( 4.277 13.469 9.364) 16.953 10.694 ( 5.668 -3.626 1.498) 6.893 11.223 ( 15.719 4.761 -0.007) 16.425 11.380 ( 12.518 -6.210 8.578) 16.397 11.867 ( 12.758 5.904 4.972) 14.912 11.991 ( 5.909 2.876 2.940) 7.199 12.804 ( -7.512 13.943 29.827) 33.771 12.920 ( -7.332 8.953 33.469) 35.413 13.249 ( -6.484 3.209 9.284) 11.770 13.342 ( -5.683 3.119 12.024) 13.660 13.816 ( 3.624 17.695 -3.211) 18.346 14.237 ( 1.085 18.595 7.265) 19.993 14.938 ( 9.303 -8.651 -12.021) 17.489 15.824 ( 0.792 -26.180 -6.803) 27.061 17.462 ( -3.861 8.004 0.506) 8.901 18.069 ( -10.134 -19.062 -0.182) 21.589 19.494 ( -1.161 0.528 -27.108) 27.138 19.640 ( -4.717 -6.873 -26.590) 27.866 ======================= Grid point 384 (200/312) ======================= q-point: ( 0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( 1.403 15.592 10.934) 19.096 4.357 ( 11.175 -3.469 15.587) 19.490 4.825 ( 6.299 17.558 2.870) 18.874 5.037 ( -8.678 4.863 -10.361) 14.364 5.187 ( -2.718 10.780 3.092) 11.540 5.438 ( -9.750 3.529 3.665) 10.997 5.836 ( -12.282 -15.308 -1.259) 19.667 5.907 ( -3.214 -16.348 -6.700) 17.957 6.322 ( -1.231 1.254 4.382) 4.721 6.890 ( 1.204 -12.190 -8.611) 14.974 7.053 ( -6.195 -5.190 -14.410) 16.521 7.191 ( -0.028 -5.734 -3.714) 6.832 7.705 ( 8.327 -3.392 -9.202) 12.865 7.778 ( 3.295 -5.235 9.606) 11.425 8.671 ( -9.016 3.818 1.868) 9.968 8.833 ( -8.444 -3.174 -3.215) 9.576 9.218 ( 2.876 17.039 4.968) 17.980 9.837 ( 2.140 -5.896 7.024) 9.417 10.402 ( 8.736 8.633 9.705) 15.653 10.843 ( 8.824 -4.348 3.648) 10.492 11.465 ( 7.361 7.150 7.647) 12.798 11.621 ( 9.323 -0.932 4.477) 10.384 12.039 ( 2.881 0.984 5.754) 6.509 12.089 ( 3.141 3.521 3.063) 5.626 12.715 ( -11.623 14.068 26.530) 32.200 12.826 ( -13.499 7.638 30.476) 34.196 13.184 ( -3.657 6.005 8.856) 11.307 13.311 ( -1.109 2.945 15.220) 15.542 13.899 ( 5.521 21.843 -1.937) 22.613 14.286 ( 0.700 25.904 9.977) 27.768 15.107 ( 11.794 -16.761 -13.991) 24.815 15.810 ( 0.438 -25.042 -8.010) 26.295 17.398 ( -2.292 3.093 -0.441) 3.875 17.853 ( -11.422 -16.046 -0.113) 19.696 19.367 ( -2.056 -1.458 -26.661) 26.780 19.454 ( -4.927 -6.377 -25.039) 26.304 ======================= Grid point 385 (201/312) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.900 ( -1.414 17.620 10.223) 20.420 4.597 ( 5.155 -13.967 14.061) 20.479 4.826 ( -7.025 9.815 -7.331) 14.122 4.981 ( 8.901 8.357 -2.803) 12.527 5.148 ( -5.536 7.809 18.814) 21.109 5.325 ( 2.154 5.508 -4.554) 7.464 5.564 ( -15.705 -11.565 1.872) 19.593 5.862 ( 0.913 -17.257 -9.108) 19.535 6.209 ( -11.428 1.612 -0.763) 11.567 6.822 ( -5.244 -14.904 -7.689) 17.571 6.938 ( -0.168 -1.496 -14.559) 14.637 7.200 ( 3.469 -1.185 -5.022) 6.218 7.821 ( 6.500 -8.676 -15.361) 18.802 7.871 ( 4.597 -11.252 2.324) 12.375 8.565 ( -1.177 1.731 -0.082) 2.095 8.670 ( -5.582 -3.543 -3.731) 7.592 9.452 ( 14.910 21.934 12.668) 29.392 9.964 ( 6.704 1.216 10.783) 12.755 10.588 ( 6.278 10.762 12.128) 17.387 11.028 ( 6.912 -6.583 5.052) 10.799 11.560 ( -0.683 9.151 11.929) 15.050 11.751 ( 3.617 4.616 1.988) 6.192 12.076 ( -5.525 -1.340 2.454) 6.193 12.101 ( 1.701 -4.548 9.370) 10.554 12.534 ( -14.552 12.505 19.827) 27.591 12.648 ( -14.306 8.035 29.454) 33.716 13.158 ( -1.416 12.671 8.895) 15.546 13.410 ( 4.119 2.264 19.539) 20.097 13.987 ( 3.145 24.281 -0.439) 24.487 14.325 ( -0.208 29.349 9.737) 30.923 15.255 ( 7.377 -20.959 -14.766) 26.679 15.790 ( 0.703 -22.641 -10.320) 24.892 17.388 ( 1.638 -3.477 -0.404) 3.865 17.656 ( -8.135 -12.724 0.917) 15.130 19.251 ( -0.269 -3.273 -26.655) 26.857 19.295 ( -2.389 -6.299 -24.505) 25.415 ======================= Grid point 386 (202/312) ======================= q-point: (-0.50 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( -5.294 18.594 9.522) 21.551 4.541 ( -8.241 -8.850 -0.911) 12.128 4.778 ( -3.518 5.509 9.512) 11.541 5.059 ( -3.246 2.492 5.884) 7.167 5.158 ( 2.324 -3.428 10.311) 11.112 5.255 ( -14.050 -4.590 -1.095) 14.821 5.570 ( 19.546 0.343 0.898) 19.570 5.861 ( -0.022 -8.694 -8.453) 12.126 5.978 ( -4.601 2.635 -3.636) 6.429 6.645 ( -8.895 -21.052 -4.531) 23.299 6.954 ( 5.758 8.371 -18.320) 20.948 7.262 ( 3.446 -0.282 -2.818) 4.460 7.858 ( 2.245 -10.650 -6.818) 12.844 7.964 ( 6.216 -15.111 -13.880) 21.439 8.592 ( 3.407 1.733 -2.552) 4.596 8.661 ( 6.253 -1.716 -2.185) 6.842 9.770 ( 11.344 20.311 12.750) 26.528 10.120 ( 4.253 5.924 10.906) 13.119 10.728 ( 3.631 13.262 13.906) 19.557 11.077 ( -3.199 -5.115 2.133) 6.399 11.523 ( -7.418 7.898 11.793) 16.015 11.807 ( -2.175 0.898 5.542) 6.021 11.919 ( -8.946 0.624 6.891) 11.310 12.133 ( -5.652 -5.657 15.986) 17.875 12.379 ( -3.102 11.195 12.502) 17.066 12.492 ( -10.617 5.820 26.109) 28.780 13.205 ( 2.670 18.283 11.242) 21.629 13.562 ( 3.905 0.987 20.307) 20.702 13.997 ( -2.396 23.908 0.871) 24.044 14.340 ( -1.491 29.081 8.116) 30.229 15.266 ( -1.099 -20.863 -15.263) 25.874 15.769 ( 1.105 -20.395 -12.377) 23.882 17.443 ( 2.561 -9.094 -0.108) 9.448 17.586 ( 1.885 -10.451 2.383) 10.884 19.184 ( 2.847 -4.247 -27.297) 27.772 19.215 ( 3.278 -6.147 -24.452) 25.425 ======================= Grid point 387 (203/312) ======================= q-point: (-0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.782 ( -6.105 19.702 10.070) 22.953 4.366 ( -11.161 4.205 1.767) 12.057 4.642 ( -12.418 -7.591 10.984) 18.234 4.938 ( -8.973 -11.384 -1.527) 14.575 5.077 ( -0.957 6.941 0.709) 7.042 5.257 ( 0.439 -1.142 8.365) 8.454 5.642 ( -6.318 4.742 -0.386) 7.908 5.964 ( 10.249 -7.420 -4.865) 13.556 6.255 ( 26.487 -4.762 4.816) 27.339 6.511 ( -0.463 -16.837 -5.573) 17.741 6.994 ( 4.482 9.730 -18.935) 21.756 7.298 ( 1.133 -0.525 -2.544) 2.834 7.885 ( 2.324 -8.447 -0.657) 8.785 8.026 ( 6.485 -16.302 -17.730) 24.943 8.695 ( 8.131 4.491 -7.218) 11.764 8.826 ( 10.434 -2.786 -3.307) 11.294 9.920 ( -0.955 21.817 13.222) 25.529 10.175 ( -1.758 9.010 6.594) 11.303 10.805 ( -0.926 7.777 7.833) 11.077 10.970 ( -7.044 -3.870 -0.610) 8.060 11.355 ( -13.289 4.846 10.608) 17.681 11.607 ( -14.929 -3.408 13.699) 20.547 11.854 ( -5.804 9.434 12.739) 16.881 12.037 ( -8.507 -3.121 17.947) 20.105 12.420 ( 0.539 7.290 9.194) 11.746 12.513 ( 3.956 4.572 24.800) 25.526 13.325 ( 5.057 17.222 12.463) 21.852 13.680 ( 1.197 0.943 19.042) 19.103 13.908 ( -6.951 21.260 2.471) 22.503 14.319 ( -3.282 25.076 6.471) 26.105 15.132 ( -6.406 -16.151 -15.187) 23.077 15.751 ( 1.652 -19.650 -12.898) 23.563 17.473 ( 1.291 -5.978 1.805) 6.377 17.732 ( 10.233 -15.115 1.503) 18.315 19.184 ( 6.996 -3.348 -27.698) 28.763 19.262 ( 10.073 -6.858 -25.311) 28.091 ======================= Grid point 388 (204/312) ======================= q-point: (-0.30 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( -4.714 22.347 11.157) 25.419 4.086 ( -17.304 15.574 5.853) 24.005 4.487 ( -7.728 -12.169 14.994) 20.800 4.805 ( -4.383 -19.912 -1.600) 20.451 5.076 ( 0.943 13.694 -3.228) 14.100 5.273 ( -0.288 1.094 7.601) 7.685 5.559 ( -2.493 -0.224 1.399) 2.867 6.101 ( 3.915 -12.439 -2.417) 13.263 6.487 ( 7.737 -1.504 -5.954) 9.878 6.891 ( 21.807 -16.134 2.347) 27.228 7.014 ( 8.168 13.194 -16.437) 22.605 7.297 ( 0.354 -0.429 -1.726) 1.814 7.968 ( 6.390 -4.481 5.585) 9.597 8.126 ( 10.705 -14.351 -17.660) 25.148 8.809 ( 5.340 8.350 -9.176) 13.507 9.015 ( 10.011 -2.991 -4.735) 11.471 9.859 ( -8.337 23.499 12.560) 27.919 10.092 ( -7.383 9.521 1.096) 12.098 10.664 ( -15.390 -2.451 -2.624) 15.803 10.804 ( -9.555 -7.193 -1.654) 12.074 11.158 ( -8.989 7.411 13.202) 17.608 11.434 ( -9.565 -1.533 19.676) 21.932 11.774 ( -5.886 7.361 8.068) 12.407 11.919 ( -9.341 -2.853 16.838) 19.466 12.501 ( 2.919 10.910 14.746) 18.574 12.675 ( 2.703 3.710 26.438) 26.834 13.466 ( 4.621 12.071 11.586) 17.358 13.734 ( -2.900 -1.061 18.632) 18.886 13.770 ( -6.767 21.235 2.175) 22.393 14.257 ( -4.769 17.024 4.055) 18.138 14.959 ( -5.433 -6.902 -13.026) 15.711 15.748 ( 2.463 -20.022 -12.389) 23.673 17.513 ( 1.800 -0.945 3.249) 3.833 17.942 ( 10.473 -19.127 0.790) 21.821 19.264 ( 10.721 -1.177 -28.397) 30.377 19.423 ( 15.114 -8.586 -26.512) 31.702 ======================= Grid point 389 (205/312) ======================= q-point: (-0.20 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( -4.708 25.671 11.854) 28.665 3.825 ( -11.022 18.170 11.308) 24.073 4.424 ( -5.284 -7.612 21.474) 23.389 4.751 ( -1.306 -21.173 3.359) 21.477 5.107 ( 4.036 17.982 -5.137) 19.132 5.321 ( 3.222 -1.623 4.224) 5.555 5.542 ( -0.156 -4.258 2.468) 4.924 6.120 ( 0.227 -18.203 -2.943) 18.441 6.645 ( 9.354 8.869 -8.902) 15.666 6.935 ( -0.178 2.870 -16.659) 16.905 7.194 ( 0.907 -1.038 -7.494) 7.620 7.428 ( 9.156 -10.267 7.321) 15.583 8.219 ( 16.929 -0.099 6.898) 18.281 8.301 ( 10.147 -4.154 -12.559) 16.672 8.841 ( 2.036 11.888 -2.902) 12.405 9.153 ( 4.981 -2.873 -7.601) 9.531 9.715 ( -8.045 21.367 7.389) 23.997 9.987 ( -1.847 5.637 1.742) 6.182 10.256 ( -22.791 -5.968 -3.369) 23.799 10.651 ( -4.923 -9.659 -1.694) 10.973 11.058 ( -7.406 5.670 11.636) 14.913 11.288 ( -12.094 -1.980 13.663) 18.354 11.683 ( -5.893 4.479 4.033) 8.429 11.802 ( -8.027 -3.801 12.610) 15.424 12.610 ( 1.722 11.774 21.356) 24.447 12.785 ( -1.077 4.402 28.996) 29.348 13.547 ( -1.184 7.112 10.782) 12.971 13.643 ( -6.360 10.584 8.798) 15.162 13.742 ( -1.940 9.636 9.599) 13.739 14.189 ( -2.474 9.162 1.783) 9.657 14.852 ( -1.714 2.480 -9.678) 10.137 15.762 ( 3.019 -21.142 -11.285) 24.155 17.556 ( 1.088 3.984 4.373) 6.015 18.127 ( 8.030 -21.296 0.727) 22.772 19.392 ( 12.099 1.250 -29.009) 31.455 19.638 ( 15.822 -10.667 -28.340) 34.165 ======================= Grid point 390 (206/312) ======================= q-point: (-0.10 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.632 ( -1.696 26.443 14.583) 30.245 3.737 ( -3.907 16.745 13.557) 21.896 4.422 ( -3.380 -0.227 25.894) 26.114 4.791 ( 4.242 -14.054 4.948) 15.492 5.193 ( 5.814 14.530 -2.456) 15.841 5.424 ( 6.288 -4.936 0.716) 8.026 5.570 ( 2.016 -4.817 4.679) 7.011 6.119 ( 0.962 -18.160 -2.262) 18.326 6.748 ( 4.088 7.805 -11.223) 14.268 6.857 ( -1.914 1.932 -15.188) 15.430 7.144 ( -2.914 4.358 -6.418) 8.287 7.514 ( -0.736 -13.323 2.163) 13.517 8.308 ( -5.300 8.777 -11.072) 15.090 8.467 ( 0.336 4.514 -2.876) 5.363 8.949 ( 5.955 11.335 9.785) 16.115 9.182 ( 5.133 3.032 -1.990) 6.285 9.730 ( 5.150 8.350 1.371) 9.906 9.861 ( -12.188 -2.980 2.970) 12.894 10.024 ( 3.368 -1.586 2.485) 4.475 10.569 ( -4.388 -17.634 -2.721) 18.374 10.937 ( -6.457 8.839 6.870) 12.923 11.118 ( -8.170 -1.691 9.582) 12.705 11.532 ( -10.774 1.800 2.394) 11.183 11.712 ( -3.616 -7.136 4.804) 9.331 12.708 ( -0.022 10.721 26.223) 28.330 12.838 ( -3.261 6.517 29.237) 30.132 13.513 ( -5.157 4.941 12.847) 14.699 13.551 ( -6.313 11.145 9.158) 15.746 13.758 ( 0.453 9.705 4.716) 10.800 14.176 ( 0.140 6.240 1.397) 6.396 14.814 ( 0.471 6.319 -7.826) 10.069 15.786 ( 3.039 -22.802 -9.744) 24.982 17.580 ( -0.315 8.012 4.771) 9.331 18.250 ( 4.186 -22.227 0.950) 22.638 19.517 ( 10.549 2.922 -29.150) 31.138 19.812 ( 11.628 -11.649 -30.009) 34.227 ======================= Grid point 391 (207/312) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( -1.814 -2.413 10.647) 11.067 3.920 ( -1.814 2.413 10.647) 11.067 4.684 ( 8.903 -14.385 18.181) 24.834 4.684 ( 8.903 14.385 18.181) 24.834 5.441 ( 3.859 -5.279 0.724) 6.579 5.441 ( 3.859 5.279 0.724) 6.579 5.804 ( 4.865 -16.005 1.998) 16.847 5.804 ( 4.865 16.005 1.998) 16.847 6.752 ( -4.834 -1.871 -14.079) 15.003 6.752 ( -4.834 1.871 -14.079) 15.003 7.266 ( -1.227 -11.151 -1.695) 11.346 7.266 ( -1.227 11.151 -1.695) 11.346 8.193 ( -15.213 -5.060 -15.997) 22.648 8.193 ( -15.213 5.060 -15.997) 22.648 9.438 ( 8.223 -8.823 7.777) 14.351 9.438 ( 8.223 8.823 7.777) 14.351 9.580 ( -14.569 -21.338 5.064) 26.329 9.580 ( -14.569 21.338 5.064) 26.329 10.276 ( 11.209 -12.699 -1.302) 16.988 10.276 ( 11.209 12.699 -1.302) 16.988 10.965 ( -7.327 -4.513 10.640) 13.684 10.965 ( -7.327 4.513 10.640) 13.684 11.544 ( 4.789 -9.374 -1.067) 10.580 11.544 ( 4.789 9.374 -1.067) 10.580 12.915 ( -2.354 -3.069 30.630) 30.873 12.915 ( -2.354 3.069 30.630) 30.873 13.518 ( -7.070 -3.040 14.710) 16.601 13.518 ( -7.070 3.040 14.710) 16.601 14.063 ( 2.024 -14.668 -3.899) 15.312 14.063 ( 2.024 14.668 -3.899) 15.312 15.233 ( -0.343 -31.098 0.000) 31.100 15.233 ( -0.343 31.098 0.000) 31.100 17.878 ( -0.352 -19.359 -0.471) 19.368 17.878 ( -0.352 19.359 -0.471) 19.368 19.692 ( 6.536 -7.322 -31.745) 33.227 19.692 ( 6.536 7.322 -31.745) 33.227 ======================= Grid point 393 (208/312) ======================= q-point: ( 0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.952 ( 1.210 -5.900 11.078) 12.609 3.952 ( 1.210 5.900 11.078) 12.609 4.900 ( 7.734 -14.936 9.989) 19.562 4.900 ( 7.734 14.936 9.989) 19.562 5.505 ( 1.982 -6.648 1.755) 7.156 5.505 ( 1.982 6.648 1.755) 7.156 5.893 ( 1.698 -9.881 2.794) 10.408 5.893 ( 1.698 9.881 2.794) 10.408 6.612 ( -5.203 -6.794 -5.996) 10.450 6.612 ( -5.203 6.794 -5.996) 10.450 7.223 ( -1.246 -11.156 -7.948) 13.754 7.223 ( -1.246 11.156 -7.948) 13.754 7.864 ( -12.208 -3.146 -10.130) 16.172 7.864 ( -12.208 3.146 -10.130) 16.172 9.249 ( -16.239 -15.506 3.879) 22.786 9.249 ( -16.239 15.506 3.879) 22.786 9.565 ( -0.579 -8.930 3.020) 9.445 9.565 ( -0.579 8.930 3.020) 9.445 10.448 ( 3.534 -9.833 2.728) 10.799 10.448 ( 3.534 9.833 2.728) 10.799 10.990 ( 9.664 -5.896 6.694) 13.152 10.990 ( 9.664 5.896 6.694) 13.152 11.737 ( 12.859 -7.690 1.744) 15.085 11.737 ( 12.859 7.690 1.744) 15.085 12.965 ( -3.642 -3.096 31.986) 32.341 12.965 ( -3.642 3.096 31.986) 32.341 13.421 ( -8.114 -3.342 14.812) 17.216 13.421 ( -8.114 3.342 14.812) 17.216 14.102 ( 4.203 -15.617 -6.038) 17.263 14.102 ( 4.203 15.617 -6.038) 17.263 15.225 ( -0.544 -31.762 0.978) 31.782 15.225 ( -0.544 31.762 0.978) 31.782 17.832 ( -4.025 -18.847 -1.704) 19.348 17.832 ( -4.025 18.847 -1.704) 19.348 19.658 ( 1.005 -5.707 -30.674) 31.217 19.658 ( 1.005 5.707 -30.674) 31.217 ======================= Grid point 395 (209/312) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( 3.752 -9.843 10.912) 15.167 4.038 ( 3.752 9.843 10.912) 15.167 5.035 ( 3.880 -12.047 2.305) 12.865 5.035 ( 3.880 12.047 2.305) 12.865 5.516 ( -2.033 -8.509 3.848) 9.558 5.516 ( -2.033 8.509 3.848) 9.558 5.828 ( -8.039 -3.139 -4.247) 9.619 5.828 ( -8.039 3.139 -4.247) 9.619 6.538 ( -1.851 -15.362 1.894) 15.589 6.538 ( -1.851 15.362 1.894) 15.589 7.170 ( -0.237 -5.522 -15.806) 16.745 7.170 ( -0.237 5.522 -15.806) 16.745 7.694 ( -3.553 -3.794 0.578) 5.230 7.694 ( -3.553 3.794 0.578) 5.230 8.977 ( -12.701 -7.176 0.489) 14.596 8.977 ( -12.701 7.176 0.489) 14.596 9.519 ( -2.467 -15.774 2.982) 16.241 9.519 ( -2.467 15.774 2.982) 16.241 10.514 ( 3.877 -13.777 6.246) 15.616 10.514 ( 3.877 13.777 6.246) 15.616 11.289 ( 15.809 -3.139 5.059) 16.893 11.289 ( 15.809 3.139 5.059) 16.893 11.975 ( 9.075 -4.013 4.344) 10.832 11.975 ( 9.075 4.013 4.344) 10.832 12.974 ( -7.388 -3.352 32.857) 33.843 12.974 ( -7.388 3.352 32.857) 33.843 13.318 ( -6.761 -3.592 13.614) 15.619 13.318 ( -6.761 3.592 13.614) 15.619 14.199 ( 8.112 -17.925 -6.474) 20.713 14.199 ( 8.112 17.925 -6.474) 20.713 15.221 ( -0.176 -31.392 1.079) 31.411 15.221 ( -0.176 31.392 1.079) 31.411 17.717 ( -6.702 -16.576 -3.157) 18.156 17.717 ( -6.702 16.576 -3.157) 18.156 19.535 ( -2.732 -3.756 -29.332) 29.698 19.535 ( -2.732 3.756 -29.332) 29.698 ======================= Grid point 397 (210/312) ======================= q-point: ( 0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.162 ( 4.735 -14.471 10.629) 18.569 4.162 ( 4.735 14.471 10.629) 18.569 5.058 ( -1.573 -5.016 -2.175) 5.689 5.058 ( -1.573 5.016 -2.175) 5.689 5.456 ( -5.733 -10.721 6.275) 13.682 5.456 ( -5.733 10.721 6.275) 13.682 5.629 ( -8.034 -6.680 -7.207) 12.693 5.629 ( -8.034 6.680 -7.207) 12.693 6.513 ( -2.827 -17.314 2.104) 17.669 6.513 ( -2.827 17.314 2.104) 17.669 7.109 ( 0.880 -4.354 -19.320) 19.824 7.109 ( 0.880 4.354 -19.320) 19.824 7.695 ( 1.773 -2.605 2.264) 3.880 7.695 ( 1.773 2.605 2.264) 3.880 8.751 ( -10.080 -4.385 -1.398) 11.081 8.751 ( -10.080 4.385 -1.398) 11.081 9.579 ( 7.390 -17.836 7.693) 20.783 9.579 ( 7.390 17.836 7.693) 20.783 10.653 ( 7.536 -13.719 7.873) 17.521 10.653 ( 7.536 13.719 7.873) 17.521 11.575 ( 10.836 -4.117 7.291) 13.694 11.575 ( 10.836 4.117 7.291) 13.694 12.082 ( 0.254 -2.745 4.548) 5.318 12.082 ( 0.254 2.745 4.548) 5.318 12.881 ( -13.060 -2.947 29.396) 32.302 12.881 ( -13.060 2.947 29.396) 32.302 13.283 ( -1.632 -4.086 15.832) 16.432 13.283 ( -1.632 4.086 15.832) 16.432 14.358 ( 9.541 -20.099 -5.507) 22.920 14.358 ( 9.541 20.099 -5.507) 22.920 15.228 ( 0.734 -29.484 -0.176) 29.494 15.228 ( 0.734 29.484 -0.176) 29.494 17.567 ( -6.904 -12.755 -4.000) 15.045 17.567 ( -6.904 12.755 -4.000) 15.045 19.372 ( -3.538 -2.124 -28.396) 28.694 19.372 ( -3.538 2.124 -28.396) 28.694 ======================= Grid point 399 (211/312) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.259 ( 0.566 -18.694 9.394) 20.929 4.259 ( 0.566 18.694 9.394) 20.929 4.999 ( -1.656 -5.918 -3.534) 7.089 4.999 ( -1.656 5.918 -3.534) 7.089 5.331 ( -10.136 -10.392 10.577) 17.961 5.331 ( -10.136 10.392 10.577) 17.961 5.540 ( 2.229 -14.686 -8.735) 17.232 5.540 ( 2.229 14.686 -8.735) 17.232 6.407 ( -8.280 -17.912 -0.639) 19.744 6.407 ( -8.280 17.912 -0.639) 19.744 7.106 ( 5.576 -8.789 -19.004) 21.668 7.106 ( 5.576 8.789 -19.004) 21.668 7.740 ( 2.407 -1.648 -2.186) 3.646 7.740 ( 2.407 1.648 -2.186) 3.646 8.610 ( -3.193 -2.720 -1.472) 4.445 8.610 ( -3.193 2.720 -1.472) 4.445 9.818 ( 12.307 -14.651 11.181) 22.162 9.818 ( 12.307 14.651 11.181) 22.162 10.831 ( 6.816 -12.822 9.483) 17.343 10.831 ( 6.816 12.822 9.483) 17.343 11.743 ( 2.896 -6.626 9.807) 12.185 11.743 ( 2.896 6.626 9.807) 12.185 12.039 ( -4.960 -0.072 5.457) 7.375 12.039 ( -4.960 0.072 5.457) 7.375 12.693 ( -14.828 -3.469 24.044) 28.461 12.693 ( -14.828 3.469 24.044) 28.461 13.352 ( 2.022 -6.712 19.526) 20.746 13.352 ( 2.022 6.712 19.526) 20.746 14.490 ( 4.872 -20.578 -4.707) 21.664 14.490 ( 4.872 20.578 -4.707) 21.664 15.246 ( 1.415 -26.896 -2.406) 27.041 15.246 ( 1.415 26.896 -2.406) 27.041 17.447 ( -3.504 -8.173 -3.874) 9.700 17.447 ( -3.504 8.173 -3.874) 9.700 19.225 ( -1.273 -0.960 -28.113) 28.158 19.225 ( -1.273 0.960 -28.113) 28.158 ======================= Grid point 401 (212/312) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.236 ( -4.743 -18.653 6.889) 20.443 4.236 ( -4.743 18.653 6.889) 20.443 4.952 ( -6.159 -9.310 -2.794) 11.507 4.952 ( -6.159 9.310 -2.794) 11.507 5.190 ( -5.155 -3.646 10.634) 12.368 5.190 ( -5.155 3.646 10.634) 12.368 5.649 ( 10.989 -8.514 -4.994) 14.771 5.649 ( 10.989 8.514 -4.994) 14.771 6.232 ( -7.177 -19.006 -3.028) 20.541 6.232 ( -7.177 19.006 -3.028) 20.541 7.168 ( 6.318 -10.174 -17.587) 21.277 7.168 ( 6.318 10.174 -17.587) 21.277 7.773 ( 2.519 -3.409 -4.795) 6.400 7.773 ( 2.519 3.409 -4.795) 6.400 8.627 ( 5.273 -1.756 -2.373) 6.043 8.627 ( 5.273 1.756 -2.373) 6.043 10.076 ( 9.185 -10.108 11.319) 17.739 10.076 ( 9.185 10.108 11.319) 17.739 10.939 ( 0.544 -9.037 7.646) 11.850 10.939 ( 0.544 9.037 7.646) 11.850 11.705 ( -10.333 -8.938 11.288) 17.721 11.705 ( -10.333 8.938 11.288) 17.721 12.005 ( -1.795 -6.365 11.884) 13.600 12.005 ( -1.795 6.365 11.884) 13.600 12.519 ( -8.966 -3.027 19.542) 21.713 12.519 ( -8.966 3.027 19.542) 21.713 13.470 ( 2.610 -8.917 20.844) 22.821 13.470 ( 2.610 8.917 20.844) 22.821 14.496 ( -2.622 -20.414 -4.769) 21.127 14.496 ( -2.622 20.414 -4.769) 21.127 15.258 ( 0.783 -25.974 -3.929) 26.281 15.258 ( 0.783 25.974 -3.929) 26.281 17.422 ( 2.216 -5.295 -3.221) 6.582 17.422 ( 2.216 5.295 -3.221) 6.582 19.147 ( 3.405 -0.734 -28.347) 28.560 19.147 ( 3.405 0.734 -28.347) 28.560 ======================= Grid point 403 (213/312) ======================= q-point: (-0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( -3.748 -18.902 7.638) 20.729 4.170 ( -3.748 18.902 7.638) 20.729 4.712 ( -15.336 -10.878 -1.138) 18.836 4.712 ( -15.336 10.878 -1.138) 18.836 5.200 ( 1.053 -5.022 5.636) 7.621 5.200 ( 1.053 5.022 5.636) 7.621 5.814 ( 1.795 -9.737 0.559) 9.916 5.814 ( 1.795 9.737 0.559) 9.916 6.244 ( 13.381 -7.175 -3.088) 15.494 6.244 ( 13.381 7.175 -3.088) 15.494 7.213 ( 4.260 -9.507 -16.573) 19.576 7.213 ( 4.260 9.507 -16.573) 19.576 7.820 ( 4.484 -3.593 -4.704) 7.426 7.820 ( 4.484 3.593 -4.704) 7.426 8.769 ( 9.770 -3.211 -5.251) 11.547 8.769 ( 9.770 3.211 -5.251) 11.547 10.213 ( 0.761 -6.706 9.638) 11.766 10.213 ( 0.761 6.706 9.638) 11.766 10.891 ( -7.380 -3.424 1.053) 8.203 10.891 ( -7.380 3.424 1.053) 8.203 11.497 ( -13.845 -7.868 16.340) 22.816 11.497 ( -13.845 7.868 16.340) 22.816 11.968 ( -7.356 -3.872 16.349) 18.341 11.968 ( -7.356 3.872 16.349) 18.341 12.527 ( 2.460 -2.931 17.863) 18.268 12.527 ( 2.460 2.931 17.863) 18.268 13.580 ( 1.385 -8.986 20.059) 22.024 13.580 ( 1.385 8.986 20.059) 22.024 14.369 ( -8.124 -20.043 -4.912) 22.178 14.369 ( -8.124 20.043 -4.912) 22.178 15.252 ( 0.102 -26.925 -3.863) 27.201 15.252 ( 0.102 26.925 -3.863) 27.201 17.501 ( 6.451 -7.779 -2.591) 10.433 17.501 ( 6.451 7.779 -2.591) 10.433 19.171 ( 9.050 -2.100 -28.955) 30.409 19.171 ( 9.050 2.100 -28.955) 30.409 ======================= Grid point 405 (214/312) ======================= q-point: (-0.30 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( -2.473 -20.971 10.551) 23.605 4.147 ( -2.473 20.971 10.551) 23.605 4.423 ( -12.832 -18.361 1.921) 22.483 4.423 ( -12.832 18.361 1.921) 22.483 5.242 ( 1.876 -5.169 2.891) 6.213 5.242 ( 1.876 5.169 2.891) 6.213 5.769 ( -3.476 -18.473 -0.297) 18.799 5.769 ( -3.476 18.473 -0.297) 18.799 6.605 ( 19.387 -11.931 -2.672) 22.920 6.605 ( 19.387 11.931 -2.672) 22.920 7.230 ( 3.190 -7.634 -13.235) 15.608 7.230 ( 3.190 7.634 -13.235) 15.608 7.943 ( 10.704 -3.439 -3.580) 11.799 7.943 ( 10.704 3.439 -3.580) 11.799 8.937 ( 9.074 -5.072 -7.491) 12.813 8.937 ( 9.074 5.072 -7.491) 12.813 10.177 ( -6.685 -4.948 6.440) 10.519 10.177 ( -6.685 4.948 6.440) 10.519 10.650 ( -16.185 -4.910 -2.065) 17.039 10.650 ( -16.185 4.910 -2.065) 17.039 11.329 ( -10.084 -8.454 18.578) 22.767 11.329 ( -10.084 8.454 18.578) 22.767 11.864 ( -7.922 -3.076 13.245) 15.737 11.864 ( -7.922 3.076 13.245) 15.737 12.662 ( 3.083 -4.827 21.973) 22.707 12.662 ( 3.083 4.827 21.973) 22.707 13.653 ( -0.765 -6.847 17.495) 18.803 13.653 ( -0.765 6.847 17.495) 18.803 14.184 ( -8.298 -18.447 -3.881) 20.596 14.184 ( -8.298 18.447 -3.881) 20.596 15.242 ( 0.207 -28.238 -3.101) 28.409 15.242 ( 0.207 28.238 -3.101) 28.409 17.633 ( 7.406 -12.018 -1.803) 14.232 17.633 ( 7.406 12.018 -1.803) 14.232 19.293 ( 13.444 -4.292 -29.942) 33.101 19.293 ( 13.444 4.292 -29.942) 33.101 ======================= Grid point 407 (215/312) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( -8.496 -8.326 7.981) 14.325 4.073 ( -8.496 8.326 7.981) 14.325 4.327 ( 0.706 -14.498 13.842) 20.057 4.327 ( 0.706 14.498 13.842) 20.057 5.295 ( 2.866 -4.653 1.378) 5.636 5.295 ( 2.866 4.653 1.378) 5.636 5.720 ( -0.961 -20.448 -1.561) 20.530 5.720 ( -0.961 20.448 -1.561) 20.530 6.852 ( 7.806 -10.470 -11.432) 17.357 6.852 ( 7.806 10.470 -11.432) 17.357 7.257 ( 2.525 -7.284 -5.105) 9.247 7.257 ( 2.525 7.284 -5.105) 9.247 8.228 ( 18.068 -1.993 -2.018) 18.289 8.228 ( 18.068 1.993 -2.018) 18.289 9.049 ( 5.085 -8.065 -7.321) 12.021 9.049 ( 5.085 8.065 -7.321) 12.021 10.017 ( -10.540 -7.707 1.138) 13.106 10.017 ( -10.540 7.707 1.138) 13.106 10.343 ( -13.613 -17.687 3.892) 22.656 10.343 ( -13.613 17.687 3.892) 22.656 11.196 ( -9.347 -6.926 13.080) 17.505 11.196 ( -9.347 6.926 13.080) 17.505 11.745 ( -8.707 -2.656 8.392) 12.382 11.745 ( -8.707 2.656 8.392) 12.382 12.774 ( 0.050 -4.833 26.719) 27.153 12.774 ( 0.050 4.833 26.719) 27.153 13.657 ( -4.359 -4.017 14.269) 15.451 13.657 ( -4.359 4.017 14.269) 15.451 14.061 ( -2.893 -16.112 -1.819) 16.470 14.061 ( -2.893 16.112 -1.819) 16.470 15.239 ( 0.332 -29.225 -2.236) 29.312 15.239 ( 0.332 29.225 -2.236) 29.312 17.761 ( 5.998 -15.671 -0.783) 16.798 17.761 ( 5.998 15.671 -0.783) 16.798 19.467 ( 14.528 -6.509 -31.126) 34.961 19.467 ( 14.528 6.509 -31.126) 34.961 ======================= Grid point 409 (216/312) ======================= q-point: (-0.10 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -5.656 -0.177 9.222) 10.819 3.957 ( -5.656 0.177 9.222) 10.819 4.464 ( 6.389 -12.334 19.978) 24.332 4.464 ( 6.389 12.334 19.978) 24.332 5.363 ( 3.756 -4.828 0.625) 6.149 5.363 ( 3.756 4.828 0.625) 6.149 5.729 ( 2.453 -19.620 -1.185) 19.808 5.729 ( 2.453 19.620 -1.185) 19.808 6.863 ( -0.527 -2.874 -16.685) 16.939 6.863 ( -0.527 2.874 -16.685) 16.939 7.278 ( 0.385 -10.017 -0.486) 10.036 7.278 ( 0.385 10.017 -0.486) 10.036 8.436 ( -0.354 -5.082 -10.284) 11.477 8.436 ( -0.354 5.082 -10.284) 11.477 9.171 ( 12.217 -6.069 0.668) 13.658 9.171 ( 12.217 6.069 0.668) 13.658 9.821 ( -10.792 -4.052 4.634) 12.424 9.821 ( -10.792 4.052 4.634) 12.424 10.182 ( -3.331 -17.946 3.091) 18.512 10.182 ( -3.331 17.946 3.091) 18.512 11.073 ( -6.926 -4.038 8.862) 11.950 11.073 ( -6.926 4.038 8.862) 11.950 11.589 ( -8.077 -4.789 3.164) 9.909 11.589 ( -8.077 4.789 3.164) 9.909 12.852 ( -1.610 -3.930 29.298) 29.604 12.852 ( -1.610 3.930 29.298) 29.604 13.598 ( -6.140 -3.124 13.592) 15.239 13.598 ( -6.140 3.124 13.592) 15.239 14.043 ( 0.836 -14.850 -1.709) 14.971 14.043 ( 0.836 14.850 -1.709) 14.971 15.237 ( 0.089 -30.128 -1.204) 30.152 15.237 ( 0.089 30.128 -1.204) 30.152 17.850 ( 3.220 -18.218 -0.142) 18.501 17.850 ( 3.220 18.218 -0.142) 18.501 19.621 ( 11.794 -7.704 -31.911) 34.882 19.621 ( 11.794 7.704 -31.911) 34.882 ======================= Grid point 451 (217/312) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.927 ( 14.375 0.000 39.286) 41.833 3.024 ( -0.031 0.000 32.706) 32.706 3.608 ( -5.220 0.000 9.738) 11.049 4.364 ( -16.301 0.000 -30.514) 34.595 5.008 ( 6.106 0.000 -14.609) 15.833 5.069 ( -3.931 0.000 -17.100) 17.546 5.567 ( 1.129 0.000 39.563) 39.579 6.634 ( 0.035 0.000 -13.106) 13.107 6.852 ( -5.563 0.000 7.408) 9.265 7.212 ( 5.747 0.000 -11.001) 12.411 7.393 ( -5.527 0.000 6.978) 8.901 7.605 ( 1.875 0.000 -8.585) 8.787 8.073 ( 7.962 0.000 19.061) 20.657 8.565 ( -13.139 0.000 -9.328) 16.113 8.808 ( -0.553 0.000 27.866) 27.872 9.459 ( 2.698 0.000 9.299) 9.682 9.844 ( -1.680 0.000 19.566) 19.638 9.966 ( 9.443 0.000 6.953) 11.727 10.301 ( 0.917 0.000 15.638) 15.665 10.648 ( -0.371 0.000 14.045) 14.050 10.887 ( -8.352 0.000 -13.983) 16.288 10.915 ( 10.452 0.000 -21.914) 24.279 11.119 ( -0.053 0.000 -18.957) 18.957 11.260 ( 1.472 0.000 -11.127) 11.224 11.389 ( -4.112 0.000 2.018) 4.581 12.057 ( -3.419 0.000 -25.587) 25.815 12.817 ( -10.003 0.000 41.340) 42.533 13.329 ( -0.195 0.000 -1.678) 1.689 13.508 ( 1.064 0.000 13.766) 13.807 14.042 ( -4.196 0.000 26.353) 26.685 15.002 ( 6.289 0.000 -41.982) 42.450 15.099 ( 9.680 0.000 -25.726) 27.487 18.420 ( -6.453 0.000 18.961) 20.029 19.117 ( 3.655 0.000 -16.208) 16.615 20.149 ( 5.790 0.000 5.318) 7.862 20.371 ( -9.547 0.000 -5.657) 11.097 ======================= Grid point 452 (218/312) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( 9.701 0.000 31.030) 32.512 3.399 ( 13.297 0.000 30.059) 32.868 3.609 ( 7.149 0.000 15.674) 17.227 4.020 ( -6.866 0.000 -30.581) 31.343 4.920 ( -5.736 0.000 -15.401) 16.434 5.152 ( 12.906 0.000 -11.720) 17.434 5.791 ( 8.570 0.000 35.366) 36.389 6.605 ( 1.852 0.000 -14.826) 14.941 6.793 ( -3.466 0.000 13.883) 14.309 7.264 ( -9.912 0.000 6.036) 11.605 7.296 ( 6.833 0.000 -12.673) 14.398 7.548 ( -5.030 0.000 -7.395) 8.944 8.263 ( 3.235 0.000 21.159) 21.405 8.300 ( -9.832 0.000 -7.931) 12.632 8.880 ( 0.140 0.000 17.153) 17.154 9.501 ( -3.953 0.000 15.678) 16.169 9.839 ( -1.820 0.000 10.632) 10.787 10.155 ( 5.517 0.000 8.935) 10.501 10.403 ( -0.022 0.000 19.428) 19.428 10.524 ( -9.865 0.000 -5.086) 11.098 10.796 ( -2.678 0.000 -0.212) 2.687 10.855 ( -2.946 0.000 -28.829) 28.979 11.091 ( 4.865 0.000 -15.813) 16.545 11.209 ( 0.106 0.000 -14.333) 14.333 11.566 ( 14.874 0.000 10.292) 18.088 11.879 ( -5.466 0.000 -23.216) 23.851 12.754 ( -10.639 0.000 39.672) 41.073 13.282 ( -4.215 0.000 -1.132) 4.365 13.537 ( -3.334 0.000 16.093) 16.435 14.087 ( -0.344 0.000 24.306) 24.309 14.981 ( 6.482 0.000 -42.709) 43.198 15.270 ( 16.815 0.000 -27.742) 32.440 18.375 ( -5.067 0.000 20.560) 21.175 19.148 ( 4.916 0.000 -15.127) 15.906 20.068 ( -19.207 0.000 -1.634) 19.276 20.226 ( -0.015 0.000 5.846) 5.846 ======================= Grid point 453 (219/312) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( -1.344 0.000 10.338) 10.425 3.574 ( 15.727 0.000 19.604) 25.132 3.947 ( 8.332 0.000 -16.305) 18.310 4.066 ( 21.206 0.000 31.279) 37.790 4.747 ( -7.020 0.000 -11.797) 13.728 5.402 ( 15.716 0.000 -9.905) 18.577 6.097 ( 10.311 0.000 25.820) 27.802 6.600 ( 2.570 0.000 -15.065) 15.283 6.848 ( 3.092 0.000 23.140) 23.346 7.057 ( -11.262 0.000 -1.889) 11.419 7.324 ( -8.338 0.000 -0.406) 8.348 7.424 ( 4.254 0.000 -20.303) 20.744 8.173 ( -0.439 0.000 -4.799) 4.819 8.330 ( -3.139 0.000 23.040) 23.253 8.900 ( -3.877 0.000 10.357) 11.059 9.401 ( -11.722 0.000 21.466) 24.458 9.877 ( 2.739 0.000 0.532) 2.791 10.054 ( -16.213 0.000 1.421) 16.275 10.296 ( -15.506 0.000 7.839) 17.375 10.553 ( 13.058 0.000 -4.254) 13.733 10.716 ( -2.735 0.000 -3.569) 4.497 10.808 ( 6.666 0.000 -15.832) 17.178 11.118 ( 0.120 0.000 -9.878) 9.879 11.195 ( 2.581 0.000 -11.502) 11.788 11.735 ( -1.998 0.000 -15.728) 15.855 11.903 ( 16.089 0.000 5.187) 16.905 12.677 ( -10.408 0.000 36.638) 38.087 13.159 ( -8.019 0.000 -0.894) 8.069 13.495 ( -7.015 0.000 20.553) 21.717 14.185 ( 1.785 0.000 24.663) 24.728 14.966 ( 6.977 0.000 -43.096) 43.657 15.537 ( 20.102 0.000 -30.416) 36.459 18.369 ( -2.959 0.000 22.962) 23.152 19.199 ( 5.332 0.000 -14.173) 15.143 19.663 ( -21.835 0.000 3.841) 22.171 20.185 ( -5.751 0.000 3.762) 6.872 ======================= Grid point 454 (220/312) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.499 ( -1.451 0.000 11.364) 11.456 3.963 ( 21.739 0.000 1.248) 21.775 4.158 ( 9.597 0.000 1.745) 9.754 4.547 ( 18.404 0.000 26.516) 32.277 4.628 ( 0.905 0.000 0.209) 0.928 5.643 ( 9.651 0.000 -1.029) 9.706 6.304 ( 4.223 0.000 13.504) 14.148 6.573 ( -1.738 0.000 -12.757) 12.875 6.732 ( -16.500 0.000 0.594) 16.510 7.094 ( -10.731 0.000 -3.979) 11.445 7.140 ( 12.730 0.000 8.470) 15.291 7.494 ( 7.572 0.000 -19.986) 21.372 8.250 ( 8.968 0.000 -0.930) 9.016 8.368 ( 0.857 0.000 26.996) 27.010 8.789 ( -10.078 0.000 6.678) 12.090 9.235 ( -11.548 0.000 17.995) 21.382 9.718 ( -17.600 0.000 3.146) 17.879 9.867 ( -8.071 0.000 -3.852) 8.943 10.005 ( -11.113 0.000 7.698) 13.519 10.576 ( -1.508 0.000 -23.005) 23.055 10.809 ( 0.198 0.000 -1.094) 1.111 10.923 ( 9.128 0.000 -13.845) 16.583 11.175 ( 14.760 0.000 7.368) 16.497 11.220 ( 3.478 0.000 -9.412) 10.034 11.649 ( -3.789 0.000 -12.204) 12.779 12.202 ( 13.150 0.000 1.577) 13.244 12.613 ( -8.039 0.000 33.063) 34.026 12.974 ( -10.475 0.000 -0.497) 10.487 13.416 ( -8.925 0.000 25.188) 26.723 14.315 ( 2.274 0.000 26.845) 26.941 14.960 ( 7.451 0.000 -43.099) 43.738 15.804 ( 17.396 0.000 -33.277) 37.549 18.426 ( 0.689 0.000 25.882) 25.891 19.254 ( 4.977 0.000 -13.335) 14.233 19.284 ( -18.687 0.000 8.249) 20.427 20.039 ( -9.544 0.000 -0.486) 9.557 ======================= Grid point 455 (221/312) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.516 ( -1.212 0.000 13.865) 13.917 4.122 ( -8.344 0.000 -3.950) 9.231 4.459 ( 27.322 0.000 1.311) 27.353 4.887 ( 17.716 0.000 17.802) 25.115 4.955 ( 14.728 0.000 18.447) 23.605 5.723 ( -4.304 0.000 15.189) 15.787 6.286 ( -14.081 0.000 4.583) 14.808 6.420 ( -9.686 0.000 -7.456) 12.224 6.501 ( 0.700 0.000 -9.669) 9.695 6.936 ( -3.197 0.000 -10.883) 11.343 7.279 ( -0.964 0.000 -2.208) 2.410 7.571 ( 7.420 0.000 -19.965) 21.299 8.485 ( 13.948 0.000 1.886) 14.075 8.565 ( -5.340 0.000 15.867) 16.742 8.646 ( 7.236 0.000 21.240) 22.439 9.095 ( -8.078 0.000 14.063) 16.218 9.426 ( -12.970 0.000 5.611) 14.132 9.590 ( -14.393 0.000 3.365) 14.781 9.899 ( -6.417 0.000 2.302) 6.818 10.461 ( -0.176 0.000 -31.655) 31.655 10.725 ( -5.881 0.000 9.690) 11.335 11.049 ( 8.993 0.000 -16.935) 19.175 11.265 ( 4.422 0.000 -8.152) 9.274 11.479 ( -9.007 0.000 -8.940) 12.690 11.626 ( 23.888 0.000 6.820) 24.843 12.381 ( 2.695 0.000 -2.001) 3.357 12.591 ( -5.321 0.000 28.350) 28.845 12.789 ( -5.974 0.000 0.473) 5.993 13.325 ( -9.836 0.000 28.458) 30.110 14.443 ( 0.617 0.000 30.119) 30.126 14.962 ( 7.830 0.000 -42.814) 43.524 15.946 ( 8.556 0.000 -35.185) 36.210 18.588 ( 7.029 0.000 27.922) 28.794 19.011 ( -12.733 0.000 10.947) 16.792 19.300 ( 4.329 0.000 -12.456) 13.187 19.831 ( -10.291 0.000 -5.838) 11.831 ======================= Grid point 456 (222/312) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( -0.585 0.000 16.808) 16.818 3.907 ( -12.200 0.000 0.199) 12.201 4.992 ( 24.131 0.000 7.034) 25.135 5.063 ( -14.712 0.000 2.009) 14.849 5.276 ( 14.623 0.000 14.872) 20.857 5.699 ( 2.505 0.000 20.079) 20.234 6.021 ( -13.043 0.000 14.396) 19.426 6.212 ( -7.667 0.000 -5.364) 9.357 6.502 ( 0.047 0.000 -15.197) 15.197 6.864 ( -0.198 0.000 -14.150) 14.151 7.164 ( -6.754 0.000 -3.412) 7.566 7.646 ( 7.124 0.000 -19.109) 20.394 8.417 ( -8.647 0.000 13.984) 16.441 8.733 ( 9.424 0.000 -1.212) 9.501 8.819 ( -8.656 0.000 14.826) 17.168 9.036 ( -4.059 0.000 20.436) 20.836 9.421 ( 13.469 0.000 11.520) 17.724 9.433 ( -0.710 0.000 2.705) 2.797 9.739 ( -9.919 0.000 -0.905) 9.961 10.362 ( -1.705 0.000 -18.434) 18.513 10.713 ( 4.188 0.000 -1.399) 4.416 11.143 ( 6.169 0.000 -16.591) 17.700 11.263 ( -9.910 0.000 -3.606) 10.546 11.342 ( 6.603 0.000 -9.130) 11.267 12.079 ( 19.255 0.000 4.122) 19.692 12.223 ( -15.232 0.000 -3.959) 15.738 12.592 ( -3.216 0.000 22.547) 22.776 12.820 ( 6.681 0.000 -0.287) 6.687 13.232 ( -10.016 0.000 31.637) 33.185 14.525 ( -3.740 0.000 33.533) 33.741 14.973 ( 8.142 0.000 -42.309) 43.085 15.892 ( -1.480 0.000 -34.569) 34.601 18.828 ( -4.861 0.000 21.513) 22.055 18.921 ( 11.645 0.000 17.685) 21.174 19.340 ( 4.039 0.000 -11.350) 12.048 19.621 ( -7.946 0.000 -10.891) 13.482 ======================= Grid point 457 (223/312) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( -0.110 0.000 19.635) 19.635 3.663 ( -14.222 0.000 7.243) 15.960 4.500 ( -37.034 0.000 -3.018) 37.157 5.343 ( 6.827 0.000 11.132) 13.059 5.495 ( 4.399 0.000 -1.821) 4.760 5.775 ( -9.193 0.000 21.492) 23.376 5.907 ( -4.537 0.000 -2.536) 5.197 6.184 ( 8.197 0.000 -0.607) 8.219 6.458 ( 4.455 0.000 3.239) 5.508 6.838 ( 2.612 0.000 -13.774) 14.020 7.073 ( -1.856 0.000 -0.735) 1.996 7.703 ( 4.437 0.000 -17.564) 18.116 8.346 ( -4.634 0.000 16.949) 17.571 8.558 ( -18.396 0.000 13.073) 22.568 8.851 ( 6.176 0.000 -5.155) 8.045 9.034 ( -4.611 0.000 26.557) 26.955 9.534 ( -8.630 0.000 -0.865) 8.673 9.610 ( 14.826 0.000 -0.414) 14.832 9.784 ( 14.796 0.000 6.532) 16.173 10.269 ( -3.013 0.000 -2.491) 3.909 10.883 ( 15.380 0.000 -16.598) 22.628 11.100 ( -5.848 0.000 0.476) 5.868 11.164 ( 0.716 0.000 -13.744) 13.762 11.450 ( 7.542 0.000 -10.402) 12.849 11.865 ( -18.379 0.000 -5.421) 19.162 12.322 ( 2.973 0.000 3.391) 4.509 12.666 ( 5.257 0.000 15.989) 16.831 12.966 ( 8.151 0.000 -2.284) 8.465 13.163 ( -8.199 0.000 34.308) 35.274 14.512 ( -9.900 0.000 35.939) 37.277 14.990 ( 8.287 0.000 -41.655) 42.471 15.686 ( -7.189 0.000 -32.105) 32.900 18.746 ( -7.137 0.000 16.206) 17.708 19.343 ( 21.147 0.000 19.291) 28.625 19.355 ( -0.392 0.000 -12.897) 12.903 19.494 ( 1.321 0.000 -11.174) 11.252 ======================= Grid point 458 (224/312) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.409 ( -15.857 0.000 15.625) 22.262 3.648 ( -10.794 0.000 16.266) 19.522 3.757 ( -29.732 0.000 7.230) 30.599 5.347 ( -7.327 0.000 5.676) 9.268 5.462 ( -2.533 0.000 -17.283) 17.468 5.612 ( -14.325 0.000 -11.896) 18.620 5.644 ( -14.271 0.000 17.850) 22.854 6.461 ( 15.284 0.000 4.392) 15.902 6.746 ( 16.091 0.000 18.532) 24.542 6.877 ( 6.025 0.000 -11.454) 12.942 7.061 ( 0.723 0.000 -1.391) 1.568 7.672 ( -1.663 0.000 -17.182) 17.262 8.188 ( -14.950 0.000 1.536) 15.029 8.426 ( -3.230 0.000 37.884) 38.021 8.950 ( 3.143 0.000 -0.416) 3.170 9.097 ( 6.155 0.000 12.146) 13.617 9.396 ( -5.783 0.000 11.014) 12.440 9.899 ( -3.038 0.000 -1.363) 3.330 9.948 ( 18.514 0.000 -2.106) 18.633 10.319 ( 7.069 0.000 5.855) 9.179 11.028 ( -11.903 0.000 -9.614) 15.301 11.041 ( 0.536 0.000 0.134) 0.552 11.134 ( 14.686 0.000 -23.897) 28.049 11.527 ( -3.072 0.000 -7.784) 8.368 11.572 ( -0.919 0.000 -10.915) 10.954 12.291 ( -3.992 0.000 -0.619) 4.040 12.824 ( 1.973 0.000 22.103) 22.191 13.110 ( 7.707 0.000 -4.007) 8.687 13.169 ( -1.684 0.000 27.985) 28.035 14.391 ( -14.826 0.000 36.483) 39.381 15.009 ( 8.064 0.000 -41.093) 41.877 15.428 ( -7.973 0.000 -29.178) 30.247 18.663 ( -7.249 0.000 16.690) 18.196 19.257 ( -2.524 0.000 -16.946) 17.133 19.585 ( 9.028 0.000 -5.970) 10.823 19.824 ( 22.008 0.000 12.042) 25.087 ======================= Grid point 459 (225/312) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -30.554 0.000 14.526) 33.831 3.170 ( -15.088 0.000 23.822) 28.199 3.718 ( -3.417 0.000 20.666) 20.946 5.146 ( -12.892 0.000 -8.568) 15.480 5.250 ( -11.330 0.000 -28.403) 30.580 5.328 ( -3.835 0.000 -19.866) 20.232 5.516 ( -11.370 0.000 39.635) 41.234 6.671 ( 4.958 0.000 -2.719) 5.655 6.977 ( -0.215 0.000 6.160) 6.164 7.011 ( 9.712 0.000 -4.103) 10.543 7.189 ( 13.335 0.000 6.163) 14.690 7.564 ( -1.301 0.000 -18.002) 18.049 7.949 ( -10.030 0.000 8.535) 13.170 8.543 ( 0.230 0.000 42.965) 42.966 8.954 ( -2.313 0.000 -3.516) 4.209 9.265 ( 6.200 0.000 -2.486) 6.680 9.455 ( 5.698 0.000 31.819) 32.325 9.803 ( -3.668 0.000 -2.220) 4.288 10.287 ( 16.876 0.000 -4.337) 17.425 10.469 ( 4.509 0.000 10.409) 11.344 10.692 ( -16.832 0.000 -4.367) 17.390 11.091 ( 5.144 0.000 -7.107) 8.774 11.238 ( 3.312 0.000 -23.785) 24.014 11.401 ( -3.248 0.000 -10.375) 10.872 11.596 ( 1.444 0.000 -10.388) 10.488 12.220 ( -0.928 0.000 -10.241) 10.283 12.876 ( -5.959 0.000 35.873) 36.364 13.231 ( 6.037 0.000 -4.633) 7.610 13.276 ( 4.053 0.000 16.622) 17.109 14.214 ( -14.911 0.000 34.777) 37.839 15.021 ( 7.429 0.000 -40.912) 41.581 15.203 ( -4.902 0.000 -26.595) 27.043 18.577 ( -7.529 0.000 17.280) 18.848 19.168 ( -0.466 0.000 -17.721) 17.727 19.771 ( 10.979 0.000 -1.558) 11.089 20.234 ( 16.450 0.000 2.935) 16.710 ======================= Grid point 460 (226/312) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -8.266 0.000 30.641) 31.736 3.014 ( -9.609 0.000 29.977) 31.479 3.684 ( -6.204 0.000 15.482) 16.679 4.794 ( -17.287 0.000 -22.770) 28.588 5.029 ( -2.294 0.000 -21.725) 21.846 5.196 ( -3.281 0.000 -18.031) 18.327 5.480 ( -6.105 0.000 41.041) 41.493 6.681 ( -0.273 0.000 -9.634) 9.638 6.935 ( -4.445 0.000 3.660) 5.758 7.142 ( 5.140 0.000 -5.816) 7.762 7.401 ( 4.094 0.000 4.987) 6.452 7.557 ( 5.427 0.000 -13.418) 14.474 7.900 ( 1.386 0.000 16.535) 16.593 8.697 ( 0.291 0.000 40.108) 40.109 8.822 ( -9.205 0.000 -8.292) 12.389 9.364 ( 3.730 0.000 8.145) 8.959 9.708 ( 7.478 0.000 24.868) 25.968 9.802 ( 4.515 0.000 0.979) 4.619 10.350 ( -8.993 0.000 3.488) 9.646 10.569 ( 2.002 0.000 14.375) 14.514 10.662 ( 16.227 0.000 -7.390) 17.831 11.115 ( -7.291 0.000 -18.656) 20.030 11.148 ( 3.621 0.000 -14.911) 15.344 11.311 ( -2.624 0.000 -9.665) 10.015 11.529 ( -4.752 0.000 -10.336) 11.376 12.168 ( 0.024 0.000 -20.874) 20.874 12.860 ( -8.794 0.000 40.802) 41.739 13.307 ( 3.178 0.000 -3.328) 4.602 13.410 ( 3.994 0.000 13.492) 14.071 14.080 ( -9.885 0.000 30.709) 32.261 15.018 ( 6.673 0.000 -41.251) 41.787 15.078 ( 1.470 0.000 -25.216) 25.259 18.492 ( -7.291 0.000 17.966) 19.389 19.121 ( 1.747 0.000 -17.224) 17.313 19.980 ( 9.830 0.000 2.539) 10.153 20.441 ( 4.476 0.000 -4.305) 6.210 ======================= Grid point 461 (227/312) ======================= q-point: ( 0.00 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 10.519 9.814 35.384) 38.197 3.228 ( 3.899 17.060 31.053) 35.645 3.683 ( -5.715 8.365 7.880) 12.835 4.452 ( -14.194 8.537 -27.689) 32.265 5.082 ( 3.419 6.611 -11.136) 13.395 5.142 ( -2.564 6.636 -15.584) 17.131 5.603 ( 3.052 4.322 33.584) 33.999 6.574 ( -1.338 -5.255 -12.929) 14.020 6.842 ( -2.210 -1.169 7.989) 8.371 7.223 ( 3.959 -0.836 -6.295) 7.483 7.284 ( -2.734 -10.735 5.516) 12.375 7.552 ( 0.055 -3.615 -10.001) 10.634 8.019 ( 3.993 -4.991 18.373) 19.453 8.475 ( -10.261 -8.097 -4.782) 13.918 8.854 ( -2.865 3.819 22.250) 22.756 9.455 ( 5.569 -1.073 6.194) 8.399 9.694 ( -2.809 -6.299 16.183) 17.592 10.112 ( 6.231 7.780 9.623) 13.855 10.262 ( -1.879 -6.877 6.221) 9.461 10.496 ( 3.787 -3.029 -3.960) 6.261 10.822 ( 0.426 -2.796 -8.285) 8.754 11.067 ( -0.224 -2.557 -19.402) 19.571 11.271 ( 9.526 19.041 1.661) 21.355 11.453 ( -7.708 8.489 0.577) 11.481 11.622 ( -3.425 31.951 -7.738) 33.053 12.107 ( -2.499 5.043 -21.460) 22.186 12.890 ( -9.126 7.475 36.727) 38.576 13.348 ( -0.429 2.034 -1.726) 2.701 13.547 ( -0.102 3.891 15.268) 15.757 14.035 ( -3.732 -0.521 25.313) 25.592 14.940 ( 7.085 -5.642 -31.031) 32.326 15.172 ( 8.870 6.607 -35.316) 37.007 18.347 ( -6.425 -7.349 19.508) 21.814 19.073 ( 3.646 -4.442 -16.829) 17.784 20.002 ( 3.135 -14.373 6.232) 15.976 20.273 ( -6.153 -9.766 -7.881) 13.977 ======================= Grid point 462 (228/312) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.331 ( 11.104 9.713 29.007) 32.543 3.500 ( 4.956 7.596 23.063) 24.782 3.705 ( 10.232 11.311 17.021) 22.855 4.132 ( -6.989 11.095 -27.874) 30.804 4.997 ( -5.138 7.737 -13.822) 16.652 5.210 ( 10.642 4.534 -8.461) 14.332 5.849 ( 10.653 6.332 30.087) 32.539 6.523 ( 0.806 -7.056 -13.310) 15.086 6.833 ( -1.689 2.619 12.110) 12.504 7.182 ( -9.132 -8.116 4.487) 13.015 7.278 ( 3.922 -2.735 -6.903) 8.397 7.493 ( -2.437 -4.190 -10.116) 11.218 8.183 ( 4.222 -7.997 20.607) 22.504 8.250 ( -8.989 -5.218 -6.107) 12.055 8.878 ( -1.954 0.339 16.405) 16.525 9.495 ( -7.047 -0.624 12.988) 14.790 9.681 ( -1.306 -11.669 8.646) 14.582 10.195 ( -4.142 -3.198 12.724) 13.758 10.263 ( 3.834 -1.256 -1.769) 4.405 10.528 ( -2.840 0.710 -0.943) 3.076 10.690 ( -5.547 -5.774 -16.949) 18.745 11.042 ( 3.832 6.361 -15.916) 17.563 11.341 ( 0.772 16.816 0.253) 16.836 11.476 ( 2.508 29.044 -5.781) 29.719 11.642 ( 9.859 8.388 4.668) 13.760 11.993 ( -1.401 12.615 -17.462) 21.587 12.829 ( -9.931 7.574 35.879) 37.990 13.298 ( -4.438 1.626 -0.717) 4.781 13.566 ( -3.567 3.064 17.022) 17.659 14.074 ( -0.910 -1.093 23.338) 23.382 14.980 ( 8.158 -1.315 -36.819) 37.735 15.280 ( 14.542 2.078 -32.136) 35.334 18.302 ( -5.158 -7.299 20.856) 22.691 19.097 ( 4.254 -5.225 -15.315) 16.732 19.914 ( -15.118 -14.477 2.282) 21.056 20.153 ( -2.585 -8.034 -0.295) 8.445 ======================= Grid point 463 (229/312) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( -0.634 5.250 10.804) 12.029 3.681 ( 14.765 9.520 20.530) 27.021 3.976 ( 8.924 4.900 -15.406) 18.465 4.160 ( 14.003 8.166 22.274) 27.548 4.848 ( -5.375 9.899 -8.990) 14.412 5.424 ( 13.041 1.161 -5.915) 14.367 6.168 ( 11.162 7.162 20.415) 24.344 6.514 ( 2.803 -7.749 -13.964) 16.214 6.863 ( -4.780 -1.807 20.667) 21.290 7.001 ( -5.447 -3.981 -3.839) 7.763 7.286 ( -3.231 -2.919 0.996) 4.467 7.433 ( 3.121 0.304 -16.989) 17.276 8.137 ( -0.635 -4.243 -2.127) 4.788 8.287 ( -0.416 -4.597 21.764) 22.248 8.852 ( -6.703 -3.860 9.362) 12.144 9.311 ( -13.829 -6.927 13.789) 20.721 9.664 ( -4.222 -18.146 -0.574) 18.640 10.081 ( -10.433 -9.735 6.933) 15.865 10.192 ( -13.071 10.432 3.132) 17.014 10.526 ( 10.177 -2.847 -8.099) 13.314 10.667 ( 8.267 -6.191 -16.129) 19.152 11.065 ( 0.566 23.341 0.544) 23.354 11.354 ( -1.405 13.900 -12.268) 18.593 11.468 ( 2.891 25.678 -2.510) 25.962 11.891 ( 7.318 10.802 -3.970) 13.638 11.979 ( 8.079 13.513 -2.173) 15.893 12.752 ( -9.855 7.583 33.501) 35.734 13.171 ( -8.386 1.284 -0.001) 8.484 13.528 ( -6.728 3.673 21.154) 22.500 14.157 ( 1.166 -2.819 23.777) 23.972 15.000 ( 7.550 2.933 -40.173) 40.981 15.504 ( 18.785 -3.023 -31.652) 36.930 18.294 ( -3.121 -7.547 22.807) 24.225 19.127 ( 3.343 -7.488 -12.666) 15.089 19.565 ( -19.230 -9.534 2.573) 21.618 20.084 ( -5.717 -10.162 0.920) 11.696 ======================= Grid point 464 (230/312) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.557 ( -2.037 5.569 12.629) 13.952 4.033 ( 19.681 6.581 -4.158) 21.165 4.176 ( 9.455 2.467 1.619) 9.905 4.501 ( 14.312 -0.220 15.651) 21.209 4.807 ( 3.815 12.897 10.500) 17.063 5.629 ( 7.397 -2.108 2.951) 8.238 6.361 ( 3.679 4.813 8.359) 10.323 6.499 ( -1.974 -6.907 -12.604) 14.507 6.638 ( -15.405 -8.586 1.574) 17.706 6.979 ( -4.054 -6.270 -0.348) 7.475 7.307 ( 5.375 10.155 4.034) 12.177 7.482 ( 7.515 -1.713 -18.465) 20.009 8.206 ( 6.759 -5.907 3.660) 9.694 8.381 ( 4.445 1.432 25.674) 26.096 8.671 ( -12.925 -9.701 5.297) 17.006 9.106 ( -11.359 -6.988 8.775) 15.965 9.486 ( -11.396 -28.090 -7.195) 31.156 9.869 ( -10.200 -5.430 -0.591) 11.571 9.983 ( -11.975 14.746 13.474) 23.290 10.653 ( 8.457 2.551 -22.584) 24.249 10.923 ( 14.243 0.458 -0.028) 14.250 11.078 ( 2.236 23.317 5.518) 24.066 11.224 ( -5.051 13.478 -11.562) 18.462 11.568 ( 7.403 21.199 -3.144) 22.674 11.867 ( -3.352 22.100 -10.040) 24.504 12.230 ( 11.895 3.088 3.144) 12.685 12.689 ( -7.512 7.753 30.263) 32.131 12.984 ( -10.527 1.239 1.162) 10.663 13.459 ( -8.390 4.762 25.356) 27.129 14.275 ( 2.156 -3.926 26.003) 26.386 15.006 ( 7.435 4.551 -41.294) 42.204 15.750 ( 16.742 -5.447 -33.203) 37.582 18.346 ( 0.441 -8.089 25.177) 26.448 19.093 ( -7.843 -13.157 1.678) 15.409 19.279 ( -5.859 -3.482 -7.074) 9.823 19.935 ( -9.060 -10.408 -2.552) 14.033 ======================= Grid point 465 (231/312) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( -2.421 4.280 14.432) 15.247 4.149 ( -6.177 2.867 -5.114) 8.516 4.495 ( 26.344 3.376 -2.707) 26.697 4.914 ( 21.110 2.837 16.071) 26.682 5.028 ( 9.580 6.587 19.238) 22.478 5.701 ( -3.660 -2.536 17.223) 17.789 6.208 ( -17.926 -9.158 -4.602) 20.650 6.342 ( -10.994 -3.744 0.023) 11.614 6.509 ( 1.891 -2.866 -8.085) 8.784 6.911 ( 0.190 -2.119 -9.973) 10.197 7.316 ( -5.420 2.995 -2.731) 6.768 7.583 ( 8.410 -0.039 -19.724) 21.442 8.328 ( -4.195 -19.375 14.623) 24.634 8.526 ( 4.429 -0.882 0.527) 4.546 8.684 ( 15.188 6.564 26.889) 31.572 8.919 ( -10.086 -8.399 3.655) 13.625 9.251 ( -8.540 -25.263 -8.498) 27.989 9.706 ( -6.125 -5.000 -2.867) 8.410 9.819 ( -9.133 18.949 17.249) 27.203 10.676 ( 0.235 14.610 -20.243) 24.965 10.965 ( -6.080 20.471 10.127) 23.634 11.104 ( 2.963 6.588 -14.670) 16.352 11.349 ( 13.118 6.970 -3.792) 15.331 11.710 ( -4.624 21.140 -9.226) 23.524 11.779 ( 12.022 14.872 1.298) 19.167 12.379 ( 0.310 0.029 -0.681) 0.749 12.664 ( -5.456 7.528 26.889) 28.451 12.823 ( -4.066 3.827 2.580) 6.151 13.380 ( -9.033 6.034 28.104) 30.131 14.403 ( 0.934 -4.008 29.280) 29.568 15.010 ( 7.526 4.806 -41.572) 42.521 15.885 ( 8.291 -6.275 -34.605) 36.133 18.499 ( 6.627 -9.041 26.772) 29.024 18.892 ( -11.800 -11.748 11.919) 20.477 19.250 ( 3.235 -5.252 -13.735) 15.057 19.732 ( -9.556 -9.862 -7.485) 15.639 ======================= Grid point 466 (232/312) ======================= q-point: (-0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( -3.015 1.783 17.315) 17.666 3.978 ( -8.826 6.542 -2.142) 11.193 5.005 ( 21.871 0.894 2.879) 22.078 5.081 ( -13.033 1.582 1.312) 13.194 5.319 ( 12.734 4.461 18.314) 22.747 5.708 ( 3.633 0.861 17.570) 17.962 5.917 ( -10.532 -10.623 6.346) 16.250 6.110 ( -10.209 -7.595 4.959) 13.656 6.486 ( -1.718 -4.771 -13.704) 14.613 6.901 ( 2.425 2.904 -16.541) 16.968 7.145 ( -8.868 -1.241 -0.722) 8.983 7.677 ( 8.360 0.986 -18.745) 20.549 8.228 ( -7.234 -18.111 17.009) 25.877 8.703 ( 7.509 -3.265 -2.983) 8.714 8.731 ( -11.573 -7.964 7.226) 15.798 8.973 ( 3.103 1.996 14.018) 14.495 9.203 ( 8.529 -17.868 -1.512) 19.857 9.595 ( -4.730 -1.080 -3.792) 6.157 9.821 ( 4.444 22.162 18.734) 29.358 10.550 ( -5.420 14.959 -14.447) 21.491 10.881 ( -3.396 16.004 2.510) 16.551 11.152 ( 3.831 4.594 -9.827) 11.505 11.508 ( 5.105 17.518 -4.741) 18.852 11.569 ( -1.922 21.762 -9.703) 23.905 12.114 ( 16.950 3.552 2.129) 17.449 12.200 ( -15.389 -2.224 -2.952) 15.827 12.665 ( -2.949 7.727 23.042) 24.481 12.873 ( 6.140 5.629 1.549) 8.472 13.303 ( -9.018 7.514 30.486) 32.667 14.491 ( -3.233 -3.478 32.579) 32.923 15.017 ( 7.684 4.425 -41.328) 42.268 15.830 ( -1.540 -6.370 -34.069) 34.694 18.734 ( -6.219 -9.567 19.961) 22.992 18.801 ( 12.042 -11.919 19.282) 25.669 19.276 ( 3.974 -6.540 -13.016) 15.099 19.535 ( -6.652 -8.546 -12.199) 16.313 ======================= Grid point 467 (233/312) ======================= q-point: (-0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( -7.622 -1.659 18.678) 20.241 3.830 ( -6.320 10.744 6.101) 13.878 4.522 ( -34.541 2.277 -4.132) 34.862 5.355 ( 5.391 0.138 8.292) 9.891 5.515 ( 2.146 1.959 5.608) 6.316 5.720 ( -7.927 -5.909 8.815) 13.246 5.817 ( -3.249 -7.356 3.763) 8.878 6.186 ( 11.813 0.091 8.378) 14.483 6.401 ( 1.590 -6.347 -2.927) 7.168 6.875 ( 1.703 2.402 -15.526) 15.803 7.052 ( -1.332 -1.016 1.333) 2.141 7.769 ( 6.453 4.705 -17.117) 18.888 8.199 ( -2.563 -15.389 23.332) 28.067 8.479 ( -15.639 -4.167 5.225) 17.007 8.795 ( 5.827 -6.892 -7.091) 11.478 9.039 ( 0.018 -0.389 19.053) 19.057 9.345 ( -1.757 -11.538 -4.457) 12.493 9.569 ( 9.727 -0.530 -3.295) 10.284 10.043 ( 8.523 19.369 12.687) 24.673 10.419 ( -3.368 14.227 -5.203) 15.519 10.876 ( 3.698 5.330 -7.650) 10.031 11.141 ( -2.799 6.090 -0.124) 6.704 11.512 ( 0.675 23.859 -12.770) 27.070 11.626 ( 5.828 16.344 -6.439) 18.509 11.869 ( -14.282 0.905 -2.985) 14.619 12.342 ( 4.000 2.107 2.434) 5.134 12.735 ( 4.188 7.265 16.253) 18.289 13.011 ( 7.460 4.962 -0.928) 9.007 13.247 ( -7.509 8.716 33.123) 35.064 14.484 ( -9.461 -2.892 34.773) 36.153 15.028 ( 7.702 3.712 -40.659) 41.548 15.626 ( -6.998 -6.109 -31.989) 33.311 18.650 ( -6.930 -9.697 16.373) 20.252 19.177 ( 15.477 -15.133 16.758) 27.374 19.282 ( 0.179 -7.322 -14.270) 16.040 19.462 ( 6.579 -4.733 -10.121) 12.966 ======================= Grid point 468 (234/312) ======================= q-point: (-0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -15.254 -0.812 19.031) 24.403 3.697 ( -20.607 4.197 10.998) 23.732 3.924 ( -15.524 14.466 5.555) 21.934 5.303 ( -9.539 -4.963 -0.038) 10.752 5.424 ( -7.539 -2.346 -6.667) 10.334 5.595 ( -8.571 -1.831 7.598) 11.599 5.714 ( -8.344 4.993 -0.755) 9.753 6.417 ( 12.727 -5.079 0.669) 13.720 6.639 ( 13.431 -7.670 14.019) 20.874 6.917 ( 7.525 0.062 -7.514) 10.635 7.037 ( -1.151 0.250 -1.528) 1.929 7.766 ( -1.506 8.339 -16.738) 18.761 8.210 ( -12.629 1.296 5.062) 13.667 8.291 ( 1.811 -11.586 32.031) 34.110 8.905 ( 6.444 -6.476 -3.613) 9.824 9.131 ( 1.551 3.828 11.929) 12.624 9.235 ( -0.994 -11.664 3.326) 12.170 9.811 ( 10.731 -7.670 -6.138) 14.549 10.122 ( -0.129 14.309 4.260) 14.930 10.453 ( 6.300 13.144 1.590) 14.662 10.913 ( -0.834 0.606 -8.150) 8.215 11.073 ( -2.625 2.235 -3.304) 4.775 11.328 ( -11.725 8.665 -6.408) 15.926 11.722 ( 4.642 16.927 -4.360) 18.085 11.783 ( 5.668 20.450 -11.060) 23.931 12.319 ( -4.635 3.296 -0.007) 5.688 12.885 ( 3.045 6.237 18.150) 19.431 13.143 ( 6.669 4.185 -3.070) 8.451 13.258 ( -1.703 8.987 29.350) 30.743 14.364 ( -14.625 -2.700 35.171) 38.187 15.036 ( 6.891 2.337 -39.369) 40.036 15.378 ( -6.814 -4.800 -29.972) 31.109 18.573 ( -6.974 -9.089 17.012) 20.510 19.184 ( -1.615 -7.553 -17.367) 19.007 19.453 ( 10.133 -12.699 0.269) 16.248 19.750 ( 20.034 -7.630 3.613) 21.740 ======================= Grid point 469 (235/312) ======================= q-point: (-0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -22.952 3.203 19.835) 30.504 3.312 ( -15.707 10.756 19.007) 26.901 3.851 ( -4.515 13.021 15.497) 20.738 5.060 ( -10.932 -4.763 -15.300) 19.398 5.267 ( -6.850 -0.057 -3.167) 7.547 5.430 ( -6.713 5.433 -17.429) 19.451 5.560 ( -9.817 5.778 22.351) 25.086 6.611 ( 5.921 -5.977 -1.574) 8.560 6.888 ( 6.841 -9.375 8.406) 14.330 6.980 ( -0.086 -1.119 -4.522) 4.659 7.122 ( 10.994 -6.278 2.626) 12.929 7.633 ( -4.636 6.801 -14.316) 16.514 8.040 ( -7.184 7.851 5.501) 11.979 8.451 ( 1.935 -8.042 36.625) 37.548 8.953 ( -1.569 -0.174 -2.742) 3.164 9.155 ( 5.579 -10.089 -2.035) 11.707 9.452 ( 11.067 -0.466 26.647) 28.857 9.834 ( -2.020 1.007 -5.851) 6.271 10.253 ( 11.063 -1.423 -3.752) 11.768 10.546 ( -2.896 3.766 2.754) 5.491 10.722 ( -7.159 4.533 -4.963) 9.820 11.071 ( 3.133 2.174 -9.815) 10.530 11.189 ( -2.512 5.812 -2.162) 6.691 11.733 ( -1.326 14.175 -6.064) 15.475 11.851 ( 1.587 29.169 -10.985) 31.209 12.233 ( -1.321 1.243 -8.541) 8.732 12.946 ( -4.533 7.062 29.376) 30.551 13.254 ( 5.838 3.216 -3.430) 7.496 13.361 ( 2.864 8.403 18.655) 20.659 14.187 ( -14.662 -2.773 33.674) 36.832 15.011 ( 3.066 -2.374 -34.694) 34.910 15.198 ( -0.040 0.754 -31.818) 31.827 18.494 ( -7.255 -8.372 17.763) 20.934 19.110 ( 0.359 -5.874 -18.377) 19.296 19.654 ( 10.661 -11.660 0.494) 15.806 20.121 ( 15.914 -11.084 -0.604) 19.403 ======================= Grid point 470 (236/312) ======================= q-point: (-0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -5.696 10.018 30.267) 32.387 3.173 ( -7.252 14.152 26.688) 31.067 3.783 ( -7.215 10.291 12.447) 17.689 4.795 ( -11.663 1.376 -19.573) 22.826 5.125 ( -3.969 6.414 -13.414) 15.390 5.259 ( -3.768 6.054 -18.244) 19.588 5.509 ( -4.762 3.814 32.389) 32.958 6.640 ( -0.383 -3.686 -9.560) 10.253 6.868 ( -3.461 -4.817 5.147) 7.853 7.123 ( 7.857 -6.450 1.661) 10.300 7.273 ( 3.265 -9.929 -0.594) 10.469 7.559 ( 1.463 1.720 -9.887) 10.141 7.961 ( -3.340 4.869 11.269) 12.723 8.575 ( -1.460 -9.470 21.918) 23.921 8.877 ( -5.136 3.547 6.232) 8.820 9.302 ( 7.580 -5.669 4.687) 10.562 9.664 ( 0.079 -0.081 20.689) 20.690 9.899 ( 11.115 4.525 2.857) 12.336 10.346 ( -9.624 -3.868 1.924) 10.549 10.419 ( 6.905 -6.186 -5.955) 11.018 10.767 ( 5.549 2.883 -1.411) 6.410 11.099 ( 2.454 8.469 -5.783) 10.545 11.161 ( 1.558 3.456 -8.342) 9.163 11.629 ( -7.231 11.660 -5.506) 14.784 11.754 ( -6.142 30.736 -8.939) 32.593 12.197 ( 0.643 2.750 -18.181) 18.399 12.933 ( -7.749 7.318 35.121) 36.702 13.331 ( 3.068 2.673 -3.638) 5.459 13.472 ( 2.224 6.364 15.735) 17.118 14.061 ( -9.006 -1.882 29.797) 31.185 14.945 ( 2.712 -6.094 -29.353) 30.101 15.151 ( 6.013 6.026 -35.927) 36.922 18.415 ( -7.117 -7.730 18.557) 21.326 19.074 ( 2.250 -4.737 -17.943) 18.694 19.857 ( 9.026 -12.263 3.611) 15.649 20.318 ( 5.039 -11.998 -6.425) 14.513 ======================= Grid point 471 (237/312) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( 8.923 17.671 29.069) 35.170 3.544 ( 2.017 13.552 24.090) 27.713 3.969 ( -3.922 20.628 5.127) 21.614 4.668 ( -9.036 12.809 -21.679) 26.753 5.182 ( 1.982 1.382 1.336) 2.761 5.295 ( -1.918 8.687 -12.801) 15.588 5.759 ( 7.268 11.135 17.459) 21.946 6.478 ( -4.577 -3.223 -13.132) 14.275 6.793 ( 1.258 -4.490 7.194) 8.573 7.002 ( 2.313 -16.521 8.544) 18.743 7.111 ( 2.782 -10.471 -1.447) 10.931 7.524 ( -2.743 -0.356 -11.684) 12.007 7.933 ( -5.168 -2.040 10.913) 12.246 8.283 ( -7.839 -10.901 -3.482) 13.871 8.938 ( -4.824 4.961 21.152) 22.255 9.412 ( 7.747 -2.166 7.464) 10.974 9.665 ( -7.772 1.624 6.299) 10.135 10.058 ( 3.113 -9.089 -2.369) 9.895 10.256 ( 9.618 5.120 0.921) 10.934 10.570 ( 1.576 6.836 0.255) 7.020 10.736 ( -0.292 -5.181 -8.069) 9.594 11.019 ( -3.909 -1.440 -13.561) 14.187 11.472 ( 5.771 4.891 9.181) 11.897 11.768 ( -5.164 12.248 -0.028) 13.292 12.204 ( -4.559 24.524 -1.548) 24.992 12.421 ( 1.300 32.656 -3.399) 32.859 13.087 ( -6.303 11.635 23.075) 26.600 13.417 ( -1.481 5.518 -1.915) 6.026 13.647 ( -3.350 5.615 19.170) 20.254 14.045 ( -2.520 2.551 22.855) 23.135 14.794 ( 6.760 -8.998 -23.659) 26.200 15.338 ( 8.840 9.760 -38.312) 40.512 18.148 ( -6.472 -12.455 20.986) 25.247 18.945 ( 3.405 -8.761 -17.054) 19.473 19.636 ( 0.877 -21.641 5.122) 22.256 20.009 ( -1.387 -16.734 -13.212) 21.365 ======================= Grid point 472 (238/312) ======================= q-point: ( 0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.579 ( 10.568 14.230 24.233) 30.024 3.644 ( 0.375 8.683 15.305) 17.601 4.030 ( 6.877 19.722 13.479) 24.858 4.419 ( -6.842 17.374 -23.041) 29.657 5.199 ( -3.903 11.087 -10.968) 16.077 5.267 ( 6.514 1.383 -0.480) 6.677 6.037 ( 13.804 11.733 18.884) 26.170 6.369 ( -1.388 -7.679 -13.979) 16.010 6.831 ( -1.438 -5.125 8.928) 10.395 6.964 ( -5.368 -13.650 -0.415) 14.673 7.180 ( 2.113 -4.924 5.914) 7.980 7.440 ( -0.475 -1.939 -13.551) 13.697 7.980 ( 3.512 -11.494 17.909) 21.568 8.104 ( -7.816 -9.032 -3.400) 12.419 8.912 ( -4.966 3.317 17.683) 18.665 9.465 ( -14.039 -3.266 3.600) 14.857 9.504 ( -2.778 -5.121 7.722) 9.674 10.080 ( -2.281 -3.014 1.333) 4.008 10.359 ( 1.249 4.283 -0.253) 4.468 10.528 ( 2.636 -4.768 -18.587) 19.369 10.605 ( -8.923 3.225 -1.489) 9.604 11.155 ( 16.993 5.154 -4.991) 18.445 11.621 ( 2.505 11.367 6.718) 13.440 11.730 ( 4.005 2.195 -1.271) 4.741 12.143 ( -1.336 33.412 3.659) 33.638 12.457 ( 3.138 33.249 -3.987) 33.634 13.032 ( -7.712 12.456 24.649) 28.674 13.351 ( -5.332 4.144 0.854) 6.807 13.652 ( -3.037 5.225 18.958) 19.898 14.064 ( -2.971 1.036 21.093) 21.326 14.887 ( 11.144 -8.157 -25.819) 29.280 15.384 ( 9.634 8.151 -38.449) 40.467 18.102 ( -5.599 -12.674 21.704) 25.749 18.946 ( 1.832 -10.366 -13.874) 17.415 19.563 ( -9.655 -19.885 1.811) 22.179 19.916 ( -3.325 -15.587 -9.023) 18.315 ======================= Grid point 473 (239/312) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( -0.521 7.200 13.129) 14.983 3.905 ( 14.706 13.087 17.140) 26.102 4.165 ( 4.648 13.722 -17.164) 22.461 4.360 ( 4.706 12.349 11.254) 17.357 5.085 ( -4.106 12.493 -5.194) 14.139 5.417 ( 8.195 -1.314 1.228) 8.390 6.295 ( 3.020 -5.744 -3.198) 7.235 6.376 ( 9.033 3.878 -0.991) 9.880 6.710 ( -13.599 -12.064 7.801) 19.782 6.898 ( -1.986 -8.790 0.149) 9.013 7.272 ( 7.870 0.926 -0.236) 7.928 7.417 ( 1.006 -1.377 -4.993) 5.276 7.994 ( -2.625 -9.925 2.328) 10.527 8.138 ( 5.768 -10.781 18.565) 22.229 8.816 ( -11.166 1.360 7.481) 13.509 9.199 ( -12.664 -4.509 4.461) 14.163 9.321 ( -16.198 -14.277 0.824) 21.607 9.946 ( -10.637 -2.955 0.937) 11.079 10.430 ( 5.039 -5.623 -5.258) 9.200 10.449 ( 0.903 13.188 3.530) 13.682 10.685 ( 13.763 7.210 -12.054) 19.665 11.458 ( 13.181 12.424 -1.067) 18.145 11.578 ( -4.118 13.352 -6.030) 15.218 11.865 ( 4.844 7.902 4.552) 10.326 12.202 ( 5.563 27.794 8.374) 29.556 12.482 ( 0.248 32.119 -6.082) 32.691 12.963 ( -7.797 13.633 25.462) 29.915 13.215 ( -9.133 3.509 2.735) 10.159 13.650 ( -4.463 8.769 21.838) 23.952 14.090 ( -1.237 -3.197 21.310) 21.584 15.024 ( 11.658 -2.715 -29.407) 31.750 15.465 ( 12.410 0.877 -37.339) 39.357 18.085 ( -3.729 -13.482 22.489) 26.485 18.907 ( -3.019 -14.998 -5.981) 16.427 19.331 ( -11.474 -13.175 -4.920) 18.150 19.810 ( -5.511 -17.177 -6.428) 19.151 ======================= Grid point 474 (240/312) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( -2.474 8.273 15.451) 17.700 4.198 ( 12.553 10.246 -14.384) 21.667 4.280 ( 10.967 8.341 0.640) 13.793 4.555 ( 12.815 5.291 12.267) 18.512 5.051 ( 0.740 10.391 9.198) 13.897 5.562 ( 4.185 -3.570 9.272) 10.781 6.281 ( -2.081 -12.230 -11.970) 17.239 6.433 ( -14.136 -12.079 0.536) 18.602 6.481 ( -1.384 3.404 1.435) 3.945 6.837 ( -2.858 -8.829 -0.060) 9.280 7.380 ( 3.133 -9.619 -13.342) 16.744 7.482 ( 4.618 6.320 1.626) 7.995 7.987 ( -1.632 -14.065 8.803) 16.673 8.377 ( 13.124 -6.020 18.948) 23.822 8.574 ( -10.489 0.402 -0.396) 10.504 8.978 ( -12.859 -10.262 -9.423) 18.959 9.025 ( -11.117 -9.535 9.897) 17.677 9.769 ( -6.396 0.342 0.099) 6.406 10.347 ( -7.041 17.321 12.204) 22.328 10.734 ( 18.176 4.747 -8.137) 20.472 10.959 ( 17.075 6.314 -5.722) 19.083 11.445 ( -5.905 11.052 -11.011) 16.681 11.607 ( 0.577 24.113 7.532) 25.269 11.952 ( 5.097 15.457 -1.336) 16.331 12.340 ( 0.475 11.849 1.473) 11.950 12.425 ( -0.385 29.849 -2.654) 29.969 12.917 ( -6.274 15.510 26.529) 31.364 13.038 ( -9.006 5.156 4.754) 11.414 13.624 ( -6.174 12.677 24.017) 27.850 14.170 ( 1.559 -6.456 23.402) 24.326 15.113 ( 8.550 4.878 -34.209) 35.597 15.605 ( 13.625 -8.350 -34.777) 38.273 18.120 ( -0.315 -14.711 23.350) 27.600 18.768 ( -11.097 -19.524 7.644) 23.722 19.156 ( -2.745 -8.567 -14.767) 17.291 19.654 ( -7.820 -17.649 -8.303) 21.014 ======================= Grid point 475 (241/312) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( -4.385 7.982 15.467) 17.949 4.243 ( -2.766 6.975 -8.412) 11.272 4.580 ( 22.393 5.183 -8.237) 24.416 4.988 ( 24.361 4.127 11.996) 27.466 5.153 ( 3.149 4.367 16.328) 17.192 5.634 ( -1.377 -3.334 20.166) 20.486 5.991 ( -20.498 -11.318 -3.183) 23.631 6.241 ( -11.964 -8.449 -9.196) 17.294 6.376 ( -4.224 -8.913 -0.784) 9.895 6.839 ( 3.600 -6.451 -6.647) 9.938 7.348 ( -7.192 -1.322 0.919) 7.370 7.486 ( 2.437 -11.243 -17.221) 20.709 7.949 ( -4.123 -14.682 8.010) 17.226 8.522 ( 5.249 -0.597 -2.978) 6.064 8.616 ( 1.489 -26.087 -9.297) 27.734 8.801 ( -6.984 -5.956 4.389) 10.174 8.964 ( 8.263 13.466 19.202) 24.866 9.710 ( -0.415 7.690 0.819) 7.745 10.260 ( -5.900 22.523 15.346) 27.885 10.955 ( 4.467 12.456 -11.769) 17.709 11.217 ( 7.227 9.009 -5.468) 12.778 11.350 ( 0.280 10.952 -0.984) 10.999 11.631 ( 4.638 24.583 7.630) 26.154 12.059 ( 6.675 12.395 -4.932) 14.917 12.189 ( -8.811 20.237 -6.618) 23.042 12.421 ( -6.515 8.178 -0.778) 10.484 12.873 ( -5.846 12.618 28.434) 31.652 12.983 ( 0.531 14.760 7.348) 16.496 13.581 ( -6.582 15.045 24.300) 29.329 14.293 ( 1.749 -7.045 26.676) 27.646 15.137 ( 6.785 7.442 -37.048) 38.392 15.704 ( 7.406 -11.991 -33.740) 36.565 18.246 ( 5.388 -16.609 23.520) 29.293 18.582 ( -10.889 -19.220 14.381) 26.358 19.099 ( 1.840 -9.887 -17.648) 20.312 19.465 ( -7.580 -16.859 -12.124) 22.106 ======================= Grid point 476 (242/312) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.639 ( -5.507 6.440 17.230) 19.201 4.136 ( -4.569 9.164 -6.028) 11.882 5.013 ( 18.463 -0.058 -1.811) 18.551 5.111 ( -12.897 1.176 0.788) 12.975 5.423 ( 9.899 4.428 17.729) 20.783 5.652 ( -7.984 -14.290 3.949) 16.838 5.729 ( 4.141 1.130 12.165) 12.901 5.954 ( -9.915 -8.338 10.521) 16.689 6.296 ( -3.066 -13.573 -11.837) 18.269 6.898 ( 5.428 -4.862 -14.193) 15.955 7.118 ( -12.716 -2.679 1.888) 13.131 7.543 ( 5.824 -15.430 -4.115) 16.998 7.933 ( 1.671 -8.788 -2.602) 9.316 8.517 ( 0.661 -18.814 -16.759) 25.204 8.609 ( -8.472 -5.590 4.583) 11.137 8.763 ( 9.352 -10.302 -1.953) 14.050 9.252 ( 8.215 16.824 19.102) 26.748 9.712 ( -0.679 12.251 -1.617) 12.376 10.281 ( 3.297 23.750 17.395) 29.623 10.848 ( -6.262 13.993 -12.458) 19.754 11.269 ( -8.239 19.576 3.785) 21.574 11.316 ( 3.309 13.013 -1.476) 13.508 11.853 ( 11.018 18.012 1.223) 21.151 12.020 ( -4.185 16.678 -2.993) 17.454 12.163 ( -15.916 1.511 -1.773) 16.085 12.223 ( 10.011 9.489 -5.602) 14.888 12.900 ( -2.371 15.847 27.698) 31.999 13.056 ( 4.246 13.981 5.544) 15.628 13.539 ( -6.193 16.861 24.238) 30.169 14.393 ( -1.886 -6.347 29.648) 30.378 15.134 ( 6.166 7.014 -37.653) 38.794 15.646 ( -1.401 -12.236 -33.190) 35.401 18.448 ( -4.843 -20.163 14.170) 25.116 18.498 ( 8.572 -17.587 24.465) 31.326 19.093 ( 3.412 -11.772 -17.496) 21.362 19.303 ( -3.256 -14.681 -15.868) 21.862 ======================= Grid point 477 (243/312) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( -8.439 5.507 18.976) 21.486 4.040 ( -5.575 10.506 2.280) 12.110 4.590 ( -26.986 4.579 -8.004) 28.518 5.318 ( -0.491 -4.120 12.240) 12.924 5.521 ( 1.172 -9.913 0.270) 9.985 5.541 ( -10.095 -4.328 2.713) 11.314 5.701 ( 2.793 -3.887 16.309) 16.997 6.179 ( 5.446 -5.342 -8.008) 11.060 6.244 ( 11.831 -3.682 7.546) 14.507 6.866 ( -3.019 -3.881 -11.591) 12.591 7.038 ( 3.596 -2.465 -0.898) 4.451 7.679 ( 7.991 -16.900 9.826) 21.119 7.980 ( 4.296 -3.030 -8.253) 9.785 8.421 ( -11.090 -2.806 2.997) 11.825 8.528 ( 6.072 -18.290 -14.035) 23.840 8.939 ( 7.812 -6.709 0.002) 10.298 9.370 ( -1.645 13.241 11.833) 17.834 9.668 ( -0.827 10.531 -5.483) 11.902 10.437 ( 3.657 19.937 13.522) 24.366 10.740 ( -0.514 15.451 -8.065) 17.437 11.122 ( -5.655 18.982 0.807) 19.822 11.289 ( -6.425 8.505 2.030) 10.850 11.789 ( -18.142 3.628 -1.495) 18.561 11.998 ( 3.397 14.398 0.426) 14.800 12.039 ( 6.145 20.058 -2.277) 21.101 12.424 ( 8.334 8.058 -0.006) 11.592 12.962 ( 1.223 16.205 17.854) 24.142 13.172 ( 5.612 11.798 5.388) 14.132 13.510 ( -5.350 18.220 26.037) 32.226 14.401 ( -8.242 -5.488 31.136) 32.673 15.119 ( 4.801 4.578 -35.933) 36.541 15.458 ( -5.088 -10.238 -33.043) 34.965 18.380 ( -6.065 -17.527 16.933) 25.114 18.798 ( 11.405 -22.929 16.340) 30.378 19.085 ( 2.094 -12.373 -17.906) 21.865 19.297 ( 9.214 -11.829 -14.595) 20.924 ======================= Grid point 478 (244/312) ======================= q-point: (-0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.429 ( -13.188 6.923 19.953) 24.900 3.813 ( -20.364 7.837 10.736) 24.318 4.235 ( -5.416 16.372 -3.659) 17.628 5.190 ( -10.616 -5.973 -0.183) 12.183 5.324 ( -9.259 -8.195 7.896) 14.671 5.546 ( -2.727 -3.769 -0.801) 4.720 5.779 ( -1.525 0.639 6.226) 6.442 6.270 ( 10.121 -8.653 -3.653) 13.808 6.512 ( 8.144 -4.217 7.660) 11.949 6.849 ( 4.427 -6.178 -3.599) 8.410 7.081 ( 0.319 1.880 -6.174) 6.462 7.903 ( 7.001 -2.662 -4.345) 8.659 8.033 ( 4.150 -6.594 15.075) 16.970 8.242 ( -6.279 0.181 2.828) 6.889 8.655 ( 10.674 -16.214 -8.444) 21.169 9.071 ( 4.500 -5.221 -1.570) 7.069 9.281 ( -5.445 12.089 7.077) 15.030 9.714 ( 6.613 0.383 -6.737) 9.448 10.424 ( -7.399 15.149 6.199) 17.963 10.737 ( -0.191 12.008 -4.698) 12.896 11.026 ( -10.229 6.483 -5.276) 13.210 11.168 ( 0.842 11.835 1.876) 12.012 11.498 ( -11.647 9.689 5.810) 16.226 12.059 ( 1.393 13.715 2.332) 13.981 12.165 ( 7.011 14.737 -1.406) 16.380 12.499 ( -0.500 18.334 2.194) 18.472 13.066 ( 3.631 12.363 10.316) 16.505 13.294 ( 5.414 11.444 -0.336) 12.664 13.525 ( -2.304 18.345 29.794) 35.064 14.287 ( -13.941 -5.147 30.907) 34.294 15.045 ( -1.819 -4.391 -29.272) 29.656 15.294 ( 1.953 -0.952 -36.773) 36.837 18.323 ( -5.997 -15.931 17.987) 24.765 18.943 ( 2.463 -18.058 -9.679) 20.636 19.154 ( 9.314 -15.793 -2.770) 18.543 19.533 ( 17.364 -14.271 -8.913) 24.179 ======================= Grid point 479 (245/312) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( -15.048 12.693 21.263) 28.976 3.539 ( -11.127 12.367 17.750) 24.327 4.176 ( -3.860 18.981 3.816) 19.742 4.996 ( -6.738 -2.010 -8.645) 11.143 5.216 ( -5.569 -5.135 11.161) 13.489 5.471 ( -2.629 -0.926 -9.141) 9.557 5.709 ( -5.616 7.086 3.465) 9.683 6.458 ( 8.223 -8.778 -0.222) 12.030 6.659 ( 5.971 -12.336 8.646) 16.205 6.957 ( 3.242 -8.229 -3.758) 9.610 7.007 ( -2.780 1.006 -2.827) 4.091 7.786 ( -7.884 7.370 -13.371) 17.183 8.193 ( -1.515 3.864 -3.056) 5.154 8.276 ( 4.850 -6.695 29.686) 30.816 8.878 ( 12.231 -9.844 1.314) 15.756 9.013 ( -1.779 -0.228 -6.751) 6.985 9.442 ( 12.949 0.509 18.094) 22.256 9.809 ( 5.613 -1.638 -11.219) 12.652 10.284 ( -6.646 3.415 -1.740) 7.672 10.575 ( -12.378 1.289 -1.828) 12.579 10.873 ( -1.273 9.006 -9.797) 13.369 11.254 ( 3.793 11.119 3.601) 12.287 11.344 ( -6.993 11.525 5.472) 14.549 12.039 ( -4.713 11.677 2.850) 12.911 12.275 ( 3.914 9.895 -1.327) 10.724 12.465 ( -2.342 29.673 0.667) 29.773 13.133 ( -1.201 11.313 13.098) 17.349 13.374 ( 4.111 9.524 -4.329) 11.241 13.612 ( 0.138 17.314 25.731) 31.014 14.109 ( -13.555 -5.095 30.068) 33.374 14.890 ( -3.078 -9.504 -24.449) 26.411 15.270 ( 7.501 6.050 -38.557) 39.743 18.266 ( -6.380 -14.295 19.114) 24.706 18.936 ( 2.702 -12.192 -17.668) 21.636 19.347 ( 9.954 -18.517 1.681) 21.090 19.831 ( 14.972 -17.851 -9.357) 25.108 ======================= Grid point 480 (246/312) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -1.856 18.266 27.479) 33.048 3.472 ( -3.419 15.125 22.377) 27.225 4.077 ( -7.292 19.049 4.431) 20.873 4.862 ( -4.941 5.055 -12.411) 14.283 5.174 ( -2.156 -1.600 6.564) 7.092 5.381 ( -2.185 4.544 -15.772) 16.558 5.654 ( -1.139 10.038 10.450) 14.535 6.558 ( 2.244 -4.664 -6.236) 8.104 6.792 ( -1.816 -3.775 9.960) 10.805 6.867 ( 3.114 -14.801 1.073) 15.163 7.075 ( 3.375 -11.274 -2.072) 11.950 7.621 ( -4.520 3.129 -9.882) 11.309 8.077 ( -9.014 6.789 -0.133) 11.285 8.374 ( -2.093 -10.387 12.049) 16.046 8.947 ( -1.864 3.742 11.739) 12.461 9.192 ( 12.497 -4.257 4.776) 14.039 9.700 ( 2.469 2.696 14.231) 14.693 9.932 ( 12.665 -1.431 -3.355) 13.180 10.143 ( -3.444 -9.734 -9.016) 13.708 10.476 ( 2.563 7.165 1.811) 7.823 10.813 ( -2.440 1.237 -9.516) 9.901 11.186 ( -7.263 3.739 -4.917) 9.535 11.363 ( 3.274 10.582 6.895) 13.048 11.907 ( -8.567 11.242 1.388) 14.202 12.285 ( -2.115 15.922 -1.961) 16.181 12.432 ( -1.036 31.538 -1.867) 31.610 13.123 ( -4.765 11.267 18.849) 22.471 13.423 ( 2.127 7.099 -4.877) 8.872 13.654 ( -3.924 11.610 21.500) 24.748 14.022 ( -5.161 -1.028 27.172) 27.677 14.792 ( 1.513 -9.276 -22.980) 24.828 15.298 ( 8.601 8.593 -38.345) 40.226 18.206 ( -6.643 -13.018 20.154) 24.895 18.937 ( 3.554 -9.483 -18.350) 20.959 19.530 ( 7.476 -19.981 3.869) 21.682 20.009 ( 6.681 -18.815 -12.461) 23.535 ======================= Grid point 481 (247/312) ======================= q-point: ( 0.00 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.662 ( 6.709 19.096 20.635) 28.904 3.779 ( -0.722 11.538 17.541) 21.008 4.408 ( -2.591 22.626 4.047) 23.130 4.913 ( -1.983 11.067 -15.203) 18.909 5.149 ( 1.384 -2.846 7.708) 8.332 5.425 ( 2.656 3.483 -9.293) 10.273 5.953 ( 8.846 6.356 12.209) 16.362 6.463 ( -6.416 -2.153 -8.225) 10.651 6.611 ( 3.871 -12.127 -3.453) 13.190 6.746 ( -3.532 -7.089 -1.632) 8.086 6.897 ( 8.053 -9.380 10.269) 16.072 7.475 ( -5.514 -4.871 -8.733) 11.419 7.959 ( -11.624 3.197 -3.557) 12.570 8.080 ( -6.871 -8.965 -4.263) 12.073 9.078 ( -6.681 10.493 24.338) 27.333 9.399 ( 6.664 0.875 7.853) 10.337 9.674 ( -10.122 -2.161 -2.719) 10.701 9.964 ( 10.969 0.437 -3.246) 11.448 10.307 ( 14.843 -0.644 0.130) 14.857 10.518 ( -10.639 -10.185 -12.368) 19.232 10.815 ( 4.540 10.655 6.349) 13.208 11.035 ( -6.952 3.591 -5.331) 9.469 11.516 ( 4.219 -0.707 8.811) 9.795 11.798 ( -3.660 -4.613 -3.903) 7.065 12.797 ( -1.897 31.606 14.973) 35.025 13.029 ( 0.793 24.645 10.035) 26.621 13.318 ( -3.299 12.746 8.315) 15.572 13.586 ( -3.056 12.316 -1.507) 12.779 13.721 ( -5.378 1.790 19.932) 20.723 14.170 ( -2.595 9.449 19.928) 22.206 14.618 ( 5.030 -7.435 -17.169) 19.374 15.506 ( 8.627 5.786 -35.034) 36.541 17.904 ( -6.555 -10.960 21.999) 25.437 18.718 ( 1.523 -15.309 -9.173) 17.911 19.239 ( 2.964 -16.751 -7.237) 18.487 19.652 ( 2.021 -18.969 -20.019) 27.653 ======================= Grid point 482 (248/312) ======================= q-point: ( 0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( -0.541 9.303 14.315) 17.081 3.915 ( 9.259 15.555 15.200) 23.638 4.417 ( 1.103 19.392 7.600) 20.857 4.775 ( -5.189 18.447 -18.834) 26.869 5.210 ( 2.227 -3.508 2.812) 5.017 5.440 ( 1.860 9.285 -6.417) 11.439 6.162 ( 1.984 -1.676 2.907) 3.898 6.317 ( 1.703 2.162 0.040) 2.753 6.616 ( -4.949 -13.963 -0.360) 14.818 6.690 ( 1.265 -11.900 -8.181) 14.496 7.134 ( 8.478 -2.328 14.647) 17.083 7.345 ( -2.687 -8.656 -11.772) 14.857 7.797 ( -5.052 -6.281 7.740) 11.175 7.953 ( -4.962 -4.868 1.151) 7.046 9.012 ( -7.265 7.044 20.956) 23.271 9.412 ( -9.742 -0.770 -0.365) 9.779 9.434 ( -13.685 -3.433 1.954) 14.244 10.092 ( 3.703 2.245 0.061) 4.331 10.283 ( -10.373 -8.264 -10.138) 16.693 10.531 ( 7.810 3.355 -2.990) 9.011 10.734 ( 2.196 8.186 -2.410) 8.812 11.252 ( 18.000 4.720 1.364) 18.658 11.675 ( 8.025 -4.224 4.962) 10.337 11.805 ( 5.209 5.310 0.050) 7.439 12.803 ( -2.628 32.013 14.340) 35.176 13.079 ( 0.877 25.968 6.707) 26.834 13.282 ( -3.720 13.490 10.581) 17.543 13.489 ( -7.709 11.247 6.615) 15.156 13.726 ( -0.780 1.686 16.689) 16.792 14.160 ( -4.842 8.830 18.348) 20.930 14.696 ( 9.560 -9.839 -18.740) 23.225 15.539 ( 7.072 5.631 -35.760) 36.885 17.849 ( -6.642 -11.647 22.020) 25.781 18.680 ( -3.256 -17.285 -4.472) 18.149 19.212 ( -2.364 -14.406 -11.357) 18.496 19.580 ( -2.336 -17.921 -17.897) 25.434 ======================= Grid point 483 (249/312) ======================= q-point: ( 0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.825 ( 0.177 8.845 13.288) 15.963 4.169 ( 12.711 12.722 9.598) 20.385 4.459 ( 1.931 15.422 -9.033) 17.977 4.644 ( -2.666 16.723 -2.722) 17.152 5.212 ( -2.604 -0.682 -1.260) 2.972 5.483 ( 3.506 9.603 3.369) 10.764 6.075 ( -2.593 -12.276 -11.501) 17.020 6.407 ( -6.009 -13.714 0.038) 14.973 6.506 ( -1.193 -1.467 8.439) 8.648 6.691 ( 0.383 -9.439 -7.063) 11.795 7.168 ( -1.619 -11.248 -14.981) 18.804 7.440 ( 7.818 -0.660 11.846) 14.209 7.762 ( -2.533 -11.759 7.222) 14.030 7.956 ( 3.765 -4.886 12.839) 14.244 8.892 ( -13.393 4.652 7.374) 15.981 9.106 ( -14.021 -5.275 2.716) 15.225 9.175 ( -13.959 0.381 0.148) 13.965 9.987 ( -9.863 5.337 -0.635) 11.232 10.289 ( 11.639 -6.592 0.704) 13.394 10.649 ( 5.987 6.103 0.457) 8.562 10.932 ( 15.646 16.085 -5.853) 23.190 11.548 ( 10.294 -0.190 -1.918) 10.473 11.827 ( 7.564 8.698 -1.598) 11.637 11.965 ( 8.376 4.961 8.100) 12.664 12.774 ( -5.398 27.433 10.951) 30.027 13.083 ( -2.648 25.952 1.859) 26.153 13.262 ( -2.085 15.883 14.370) 21.520 13.339 ( -10.855 11.840 13.785) 21.167 13.799 ( 2.062 2.999 18.208) 18.568 14.119 ( -5.393 9.455 17.523) 20.629 14.864 ( 14.258 -12.229 -20.330) 27.680 15.538 ( 5.644 4.073 -37.129) 37.776 17.805 ( -5.279 -13.664 21.679) 26.164 18.556 ( -9.291 -20.391 3.243) 22.641 19.095 ( -3.670 -10.362 -17.947) 21.047 19.451 ( -4.943 -18.564 -15.997) 25.000 ======================= Grid point 484 (250/312) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( -1.105 9.992 15.802) 18.729 4.433 ( 5.298 13.627 -17.015) 22.433 4.472 ( 12.253 9.746 -5.264) 16.517 4.684 ( 6.834 7.510 8.866) 13.480 5.147 ( -3.026 -0.211 4.616) 5.523 5.571 ( 1.537 5.552 14.629) 15.723 6.010 ( -1.202 -15.318 -12.492) 19.803 6.176 ( -14.264 -13.872 0.864) 19.916 6.498 ( -6.136 -2.363 0.365) 6.585 6.644 ( -1.816 -9.082 -3.417) 9.872 7.099 ( 1.545 -17.022 -15.361) 22.980 7.504 ( -5.613 -8.840 2.846) 10.851 7.750 ( -1.195 -7.551 7.003) 10.368 8.118 ( 5.462 -13.237 6.065) 15.551 8.606 ( -10.753 2.081 -2.812) 11.307 8.880 ( -11.266 -5.982 -2.624) 13.023 9.070 ( 2.854 15.089 15.823) 22.050 9.896 ( -0.446 10.455 4.259) 11.298 10.514 ( 7.041 0.247 7.570) 10.342 10.835 ( 14.381 5.026 -0.121) 15.235 11.218 ( 14.696 18.418 -4.287) 23.949 11.604 ( -1.769 5.689 -5.119) 7.855 11.972 ( 6.280 11.989 2.555) 13.774 12.129 ( 5.692 3.940 2.940) 7.521 12.655 ( -9.661 20.486 5.140) 23.226 12.981 ( -8.108 22.490 -1.187) 23.936 13.189 ( -9.250 14.483 21.895) 27.834 13.307 ( 0.331 21.002 17.949) 27.629 13.914 ( 2.212 10.075 19.414) 21.984 14.086 ( -3.215 4.927 16.932) 17.925 15.077 ( 13.862 -10.783 -21.510) 27.769 15.512 ( 5.072 -0.103 -38.235) 38.570 17.803 ( -2.113 -16.490 21.081) 26.847 18.361 ( -12.361 -21.560 10.409) 26.944 18.973 ( -1.615 -9.417 -22.112) 24.088 19.285 ( -6.263 -19.068 -16.592) 26.040 ======================= Grid point 485 (251/312) ======================= q-point: ( 0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( -4.642 11.439 15.091) 19.497 4.410 ( -1.774 9.386 -13.144) 16.248 4.695 ( 15.829 6.468 -10.565) 20.100 5.035 ( 21.714 -1.479 8.325) 23.302 5.156 ( 1.329 -2.035 10.930) 11.197 5.616 ( -3.771 1.293 17.936) 18.373 5.804 ( -17.435 -7.689 5.243) 19.763 5.990 ( -3.938 -15.695 -12.463) 20.425 6.232 ( -17.304 -5.552 -0.011) 18.173 6.657 ( 3.631 -10.341 -5.663) 12.337 7.140 ( 6.172 -17.225 -15.775) 24.159 7.280 ( -14.578 -12.377 0.295) 19.126 7.752 ( 0.148 -6.277 0.659) 6.313 8.160 ( 1.138 -15.900 -7.475) 17.606 8.533 ( 2.805 0.295 -1.933) 3.420 8.679 ( -8.813 -5.470 0.394) 10.380 9.335 ( 14.622 21.081 18.863) 31.843 9.958 ( 3.726 15.298 5.326) 16.622 10.614 ( 1.560 12.173 11.397) 16.748 11.088 ( 6.657 1.643 -3.150) 7.546 11.450 ( 9.045 14.908 -0.518) 17.445 11.555 ( 2.077 10.943 -2.533) 11.423 12.065 ( 2.238 11.534 5.699) 13.058 12.200 ( 1.599 3.607 -1.332) 4.164 12.451 ( -11.859 17.307 2.150) 21.090 12.772 ( -11.184 20.503 -4.864) 23.856 13.153 ( -4.626 16.420 34.407) 38.404 13.382 ( 1.549 23.709 12.693) 26.937 13.964 ( -2.825 23.344 15.076) 27.933 14.149 ( 2.229 -6.760 21.779) 22.912 15.213 ( 7.570 -5.306 -24.160) 25.869 15.477 ( 4.285 -6.761 -37.677) 38.518 17.877 ( 2.677 -20.035 19.866) 28.341 18.181 ( -9.942 -20.981 15.496) 27.913 18.887 ( 0.756 -11.096 -23.317) 25.834 19.111 ( -4.947 -18.382 -18.927) 26.844 ======================= Grid point 486 (252/312) ======================= q-point: (-0.50 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.813 ( -6.025 11.278 15.150) 19.825 4.316 ( -2.933 8.710 -8.864) 12.769 5.008 ( 14.238 -0.398 -3.466) 14.659 5.121 ( -10.693 0.000 1.503) 10.798 5.287 ( -6.015 -15.061 5.566) 17.146 5.559 ( -0.525 0.354 13.690) 13.705 5.757 ( -3.038 2.522 10.384) 11.109 5.804 ( 6.480 -6.425 5.082) 10.445 6.012 ( -3.160 -13.902 -8.397) 16.545 6.724 ( 5.905 -10.506 -10.167) 15.767 6.954 ( -13.358 -15.121 -1.747) 20.252 7.268 ( 6.487 -11.728 -7.142) 15.186 7.777 ( 4.017 -7.471 -6.713) 10.818 8.155 ( 1.943 -13.866 -10.852) 17.715 8.533 ( -5.498 -2.038 1.170) 5.980 8.659 ( 8.692 -3.420 -2.565) 9.686 9.640 ( 8.805 21.222 16.115) 28.064 10.009 ( -0.947 16.385 0.607) 16.423 10.697 ( 3.053 17.363 13.172) 22.007 11.045 ( -5.369 5.487 -6.041) 9.768 11.502 ( -3.014 10.828 5.037) 12.316 11.669 ( 3.537 15.010 -0.514) 15.430 12.055 ( -8.943 -1.594 4.749) 10.251 12.231 ( 3.472 9.000 0.272) 9.650 12.269 ( -5.849 15.235 6.425) 17.538 12.603 ( -0.934 23.672 -6.711) 24.622 13.223 ( -1.206 16.562 37.446) 40.963 13.439 ( 0.762 24.053 7.619) 25.242 13.948 ( -3.222 24.299 12.881) 27.690 14.257 ( -0.258 -7.003 24.968) 25.933 15.210 ( 0.861 -5.583 -25.124) 25.751 15.410 ( 2.241 -6.577 -37.669) 38.304 18.002 ( 0.105 -23.838 16.391) 28.930 18.127 ( 1.433 -20.043 19.701) 28.141 18.843 ( 2.709 -13.027 -23.554) 27.053 18.993 ( 0.696 -16.317 -21.229) 26.784 ======================= Grid point 487 (253/312) ======================= q-point: (-0.40 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( -7.460 11.460 16.723) 21.602 4.234 ( -6.312 9.415 1.762) 11.471 4.688 ( -17.140 4.555 -13.578) 22.336 5.199 ( -3.663 -7.748 18.874) 20.729 5.248 ( -6.257 -14.053 -0.664) 15.397 5.481 ( -1.887 -4.100 3.552) 5.744 5.664 ( -1.666 0.485 13.413) 13.525 5.983 ( 5.447 -9.305 -8.268) 13.587 6.303 ( 22.538 4.917 1.055) 23.093 6.716 ( -5.550 -11.570 -8.104) 15.177 6.870 ( 8.999 -14.689 -2.337) 17.384 7.369 ( 5.633 -13.056 3.041) 14.541 7.872 ( 8.899 -8.400 -11.149) 16.554 8.160 ( 1.392 -12.941 -7.994) 15.275 8.466 ( -0.574 3.382 -3.224) 4.708 8.832 ( 9.556 -4.821 -3.599) 11.292 9.736 ( -4.335 21.993 11.485) 25.187 9.932 ( -4.808 15.167 -4.342) 16.493 10.773 ( -1.848 12.845 9.345) 15.991 10.944 ( -2.370 5.561 -3.093) 6.791 11.372 ( -11.902 6.258 3.188) 13.819 11.620 ( -6.482 22.889 -0.568) 23.796 11.843 ( -11.735 3.148 10.366) 15.971 12.198 ( -2.047 3.437 1.625) 4.318 12.340 ( 4.663 14.877 5.304) 16.468 12.718 ( 10.382 19.411 2.255) 22.128 13.333 ( -0.039 19.525 27.651) 33.850 13.479 ( 1.588 20.123 8.572) 21.930 13.932 ( -2.955 23.837 13.683) 27.644 14.282 ( -6.332 -5.960 25.363) 26.812 15.068 ( -6.533 -12.623 -23.335) 27.323 15.348 ( 5.288 1.154 -38.419) 38.798 17.999 ( -3.874 -20.306 17.739) 27.240 18.320 ( 8.612 -25.087 14.755) 30.352 18.829 ( 4.531 -12.958 -23.474) 27.194 19.026 ( 10.111 -15.199 -20.851) 27.713 ======================= Grid point 488 (254/312) ======================= q-point: (-0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( -9.064 14.094 18.211) 24.748 3.999 ( -16.991 11.057 10.841) 22.988 4.527 ( 2.583 12.056 -12.754) 17.739 5.069 ( -7.553 -8.263 -4.882) 12.213 5.139 ( -8.227 -8.069 23.104) 25.818 5.449 ( -2.440 -5.701 -1.221) 6.320 5.722 ( 1.283 -5.163 9.584) 10.962 6.135 ( 10.644 -4.352 -3.624) 12.057 6.486 ( -1.029 -0.516 -3.209) 3.409 6.690 ( 5.084 -8.251 -5.023) 10.916 7.050 ( 6.434 -6.061 -9.192) 12.752 7.600 ( 15.475 -18.983 12.561) 27.525 8.020 ( 8.513 -4.484 -11.761) 15.195 8.164 ( 2.810 -7.038 -2.003) 7.838 8.509 ( 7.065 3.464 -4.035) 8.843 8.988 ( 7.269 -4.145 -4.741) 9.618 9.593 ( -9.656 18.922 1.717) 21.313 9.848 ( -2.334 12.368 -0.613) 12.601 10.636 ( -13.448 4.633 1.497) 14.303 10.847 ( -10.594 0.485 -1.567) 10.721 11.153 ( -7.421 9.490 1.560) 12.148 11.514 ( -3.832 18.265 -2.160) 18.787 11.691 ( -8.585 9.062 14.111) 18.840 12.161 ( -3.328 -0.140 3.287) 4.680 12.471 ( 5.953 17.213 10.515) 21.031 12.913 ( 6.598 19.414 7.991) 22.006 13.377 ( -1.292 19.447 9.835) 21.831 13.573 ( 3.134 16.111 11.017) 19.768 13.938 ( -1.615 21.902 18.849) 28.941 14.182 ( -12.261 -4.216 23.485) 26.826 14.848 ( -7.065 -13.211 -21.557) 26.251 15.348 ( 7.723 3.687 -37.378) 38.346 17.988 ( -3.802 -17.172 19.039) 25.919 18.505 ( 6.832 -24.857 4.373) 26.147 18.880 ( 8.347 -12.264 -19.116) 24.197 19.218 ( 15.620 -17.262 -18.836) 29.946 ======================= Grid point 489 (255/312) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( -8.196 19.529 19.503) 28.791 3.792 ( -8.381 13.481 15.866) 22.443 4.543 ( 0.583 17.198 -8.366) 19.134 4.959 ( -3.500 -2.740 3.946) 5.944 5.089 ( -2.691 -6.763 13.756) 15.563 5.410 ( 0.144 -4.519 -6.562) 7.969 5.760 ( 0.380 -2.735 6.358) 6.932 6.317 ( 8.539 -5.467 -1.619) 10.268 6.455 ( 0.280 -7.815 0.806) 7.862 6.763 ( 3.486 -9.420 -4.626) 11.058 7.040 ( -3.257 0.736 -7.055) 7.805 7.772 ( -2.250 -12.357 -6.808) 14.287 8.120 ( 4.182 0.512 -0.874) 4.303 8.301 ( 8.086 -0.416 -0.241) 8.100 8.754 ( 17.745 -0.622 5.830) 18.689 9.032 ( 0.038 0.366 -6.063) 6.074 9.534 ( 4.324 9.826 8.076) 13.434 9.843 ( 2.767 5.817 -5.662) 8.576 10.294 ( -19.382 -2.669 -1.757) 19.643 10.643 ( -6.904 3.923 -0.456) 7.953 11.036 ( -6.631 8.330 -4.637) 11.613 11.401 ( -8.354 5.455 3.973) 10.739 11.611 ( -4.666 12.107 8.036) 15.262 12.075 ( -6.858 -3.573 3.489) 8.484 12.627 ( 5.406 21.119 13.718) 25.757 13.006 ( -0.370 23.474 11.513) 26.148 13.374 ( -1.532 14.096 5.530) 15.219 13.626 ( 0.437 15.038 0.429) 15.050 13.984 ( -11.376 9.729 21.689) 26.353 14.020 ( -1.555 6.391 24.087) 24.969 14.681 ( -2.707 -10.386 -19.009) 21.829 15.388 ( 9.091 4.582 -36.199) 37.603 17.975 ( -4.487 -14.151 20.360) 25.198 18.621 ( 5.650 -20.111 -5.792) 21.678 19.010 ( 9.860 -14.167 -11.836) 20.929 19.456 ( 14.444 -19.792 -18.770) 30.866 ======================= Grid point 490 (256/312) ======================= q-point: (-0.10 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 0.277 22.044 21.975) 31.127 3.750 ( -2.853 13.560 18.262) 22.924 4.479 ( -4.212 21.035 -2.574) 21.606 4.945 ( 0.228 1.104 0.449) 1.213 5.110 ( 0.245 -2.473 8.116) 8.488 5.407 ( 2.266 -1.319 -9.990) 10.329 5.808 ( 3.098 3.347 6.855) 8.234 6.456 ( 6.179 -7.204 -0.913) 9.535 6.521 ( 5.110 -13.272 3.007) 14.537 6.789 ( -0.087 -7.059 0.547) 7.080 6.905 ( -6.776 0.539 -8.501) 10.884 7.624 ( -7.202 -4.155 -8.664) 12.008 8.126 ( -2.030 -2.845 -7.603) 8.368 8.276 ( -9.838 1.586 -2.760) 10.340 9.042 ( 3.725 6.603 16.368) 18.038 9.168 ( 14.107 1.616 6.356) 15.557 9.737 ( 10.862 0.270 7.795) 13.373 9.871 ( -4.974 -1.395 -8.831) 10.231 10.040 ( 4.370 -2.154 -2.283) 5.381 10.616 ( 3.967 3.541 -0.555) 5.346 10.835 ( -11.553 3.947 -6.350) 13.761 11.253 ( -8.667 2.473 2.216) 9.281 11.516 ( -6.236 5.355 4.976) 9.609 11.931 ( -8.150 -5.344 0.645) 9.767 12.752 ( 1.997 26.365 14.574) 30.191 13.006 ( -2.489 24.564 12.228) 27.552 13.353 ( -2.704 12.498 6.209) 14.215 13.620 ( 0.023 12.878 -4.410) 13.612 13.811 ( -11.059 2.694 21.489) 24.317 14.118 ( 0.377 11.814 22.952) 25.817 14.612 ( 1.600 -7.664 -17.288) 18.979 15.448 ( 9.440 5.290 -35.253) 36.877 17.949 ( -5.600 -11.873 21.445) 25.143 18.691 ( 4.351 -16.250 -9.936) 19.538 19.155 ( 7.805 -16.174 -7.578) 19.492 19.619 ( 8.653 -20.375 -19.989) 29.826 ======================= Grid point 491 (257/312) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( -1.108 10.802 11.375) 15.726 4.013 ( 2.612 11.171 11.686) 16.376 4.796 ( -3.396 15.321 7.333) 17.321 5.002 ( 6.274 -0.732 4.788) 7.926 5.205 ( 1.784 8.583 -5.598) 10.401 5.432 ( 4.912 -1.839 -5.732) 7.770 5.970 ( 8.356 -3.515 16.978) 19.246 6.214 ( 0.205 -16.613 4.631) 17.248 6.495 ( 0.633 -1.737 -9.977) 10.147 6.677 ( 3.693 -6.504 -5.198) 9.108 6.880 ( -3.921 10.315 -4.762) 12.019 7.340 ( -6.269 -9.127 -10.515) 15.270 7.963 ( -10.449 -2.421 -5.449) 12.031 7.995 ( -9.424 -0.416 -8.227) 12.517 9.357 ( -4.548 15.489 16.900) 23.371 9.452 ( 2.245 6.295 9.989) 12.018 9.597 ( -5.631 -4.483 -2.448) 7.602 10.030 ( 2.848 2.924 -1.778) 4.452 10.186 ( 8.533 -10.876 2.036) 13.973 10.334 ( 2.098 -7.157 -9.481) 12.062 11.010 ( -6.569 8.795 6.808) 12.917 11.153 ( -0.188 6.619 2.072) 6.938 11.460 ( 0.761 -3.174 5.716) 6.582 11.672 ( 2.087 -7.788 -3.286) 8.707 13.234 ( 0.272 11.788 16.397) 20.196 13.338 ( -1.778 8.209 16.262) 18.303 13.602 ( 0.015 14.061 2.035) 14.207 13.753 ( -2.502 3.927 9.416) 10.504 13.874 ( -7.215 13.466 15.023) 21.426 14.246 ( -2.107 -4.417 5.604) 7.440 14.683 ( 1.132 17.370 -2.844) 17.638 15.483 ( 6.504 -9.771 -24.501) 27.167 17.798 ( -5.502 1.759 18.391) 19.277 18.353 ( -1.326 -20.651 4.246) 21.125 19.039 ( 6.487 -3.771 -25.060) 26.160 19.306 ( 4.810 -15.600 -26.659) 31.260 ======================= Grid point 492 (258/312) ======================= q-point: ( 0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( -0.719 9.607 10.322) 14.119 4.144 ( 6.459 6.068 8.568) 12.327 4.771 ( -1.352 16.565 4.845) 17.312 5.082 ( 0.745 7.351 -7.025) 10.195 5.192 ( -0.400 7.159 -1.103) 7.255 5.520 ( 6.308 -1.254 -6.330) 9.023 6.111 ( -5.042 -5.253 5.130) 8.907 6.168 ( -2.829 -13.624 6.330) 15.286 6.420 ( -3.602 -1.588 -4.690) 6.123 6.642 ( 1.198 2.445 -15.597) 15.833 7.009 ( 8.925 -8.781 12.192) 17.476 7.150 ( -6.888 -10.304 -15.073) 19.514 7.758 ( -6.279 2.301 4.592) 8.112 7.903 ( -2.618 -2.032 3.684) 4.955 9.174 ( -13.372 8.410 14.136) 21.198 9.365 ( -16.706 -3.395 -0.495) 17.055 9.459 ( -7.557 6.274 1.206) 9.895 9.962 ( -2.716 -13.814 2.544) 14.307 10.301 ( 2.216 7.823 -4.826) 9.455 10.551 ( 10.556 -1.960 -1.102) 10.793 10.908 ( 6.409 9.707 1.521) 11.731 11.276 ( 7.512 -4.587 4.945) 10.096 11.639 ( 15.163 3.169 2.371) 15.671 11.844 ( 12.186 -1.474 0.270) 12.278 13.251 ( -3.659 12.613 13.174) 18.602 13.366 ( -1.095 6.657 12.749) 14.424 13.621 ( 0.307 17.946 6.400) 19.055 13.753 ( -1.955 2.876 16.312) 16.678 13.770 ( -8.702 14.039 15.389) 22.575 14.240 ( 1.203 -6.401 1.089) 6.604 14.694 ( 1.362 15.676 -3.807) 16.189 15.511 ( 4.882 -10.305 -24.421) 26.952 17.732 ( -7.511 1.450 17.792) 19.367 18.293 ( -6.544 -21.105 5.503) 22.771 19.034 ( 1.999 -3.826 -25.965) 26.321 19.258 ( -0.362 -14.178 -25.817) 29.456 ======================= Grid point 493 (259/312) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.015 ( 1.438 10.525 10.512) 14.944 4.317 ( 9.183 0.647 5.175) 10.560 4.762 ( -0.495 15.849 -3.385) 16.215 4.982 ( -5.632 15.754 -10.600) 19.806 5.196 ( -0.824 1.661 1.828) 2.604 5.626 ( 6.001 -1.189 -3.660) 7.129 5.888 ( -12.828 -3.600 -1.319) 13.389 6.093 ( -7.332 -15.067 2.437) 16.933 6.397 ( -0.066 -5.023 1.044) 5.131 6.618 ( 1.270 -2.613 -14.709) 14.993 6.945 ( -6.674 -8.862 -13.075) 17.147 7.194 ( 1.404 -18.247 7.173) 19.657 7.739 ( -0.501 5.326 12.234) 13.352 7.909 ( 0.614 -1.887 10.520) 10.706 8.937 ( -16.475 0.719 0.035) 16.491 9.012 ( -14.112 -4.045 -1.497) 14.757 9.335 ( -4.220 14.051 8.925) 17.173 9.932 ( -0.616 -11.928 4.257) 12.680 10.348 ( 6.198 12.022 2.836) 13.820 10.699 ( 7.236 -1.294 -1.001) 7.418 11.212 ( 19.224 11.364 0.037) 22.331 11.491 ( 11.779 -4.989 2.922) 13.122 11.939 ( 12.891 4.699 1.178) 13.771 12.046 ( 7.256 1.895 2.503) 7.907 13.181 ( -7.381 13.931 8.813) 18.062 13.360 ( -3.612 6.019 7.504) 10.275 13.625 ( -8.730 15.696 23.187) 29.329 13.665 ( -3.786 18.722 18.614) 26.670 13.810 ( 3.061 1.954 11.503) 12.063 14.316 ( 5.799 -1.747 0.470) 6.074 14.722 ( 4.155 8.619 -8.593) 12.861 15.505 ( 3.146 -9.953 -25.319) 27.386 17.639 ( -7.773 -1.130 17.229) 18.935 18.145 ( -10.654 -20.898 7.639) 24.670 18.949 ( -1.181 -4.163 -27.255) 27.596 19.129 ( -3.736 -13.536 -25.028) 28.698 ======================= Grid point 494 (260/312) ======================= q-point: ( 0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.090 ( 1.545 12.247 12.467) 17.544 4.534 ( 11.141 -5.290 -0.839) 12.362 4.709 ( -0.347 14.088 -13.913) 19.803 4.868 ( -2.884 10.717 -3.042) 11.507 5.159 ( -2.385 3.674 1.188) 4.538 5.684 ( -3.168 -17.503 -9.831) 20.324 5.715 ( -2.073 6.434 14.145) 15.677 5.924 ( -11.350 -10.676 5.647) 16.574 6.384 ( -2.640 -4.675 0.686) 5.413 6.581 ( -2.171 0.024 -13.655) 13.827 6.791 ( -0.795 -12.848 -16.665) 21.058 7.125 ( -8.797 -22.488 0.219) 24.148 7.752 ( -2.415 3.983 10.063) 11.088 7.953 ( -0.317 -5.756 6.751) 8.878 8.647 ( -10.120 2.141 -3.511) 10.923 8.770 ( -10.788 -4.865 -2.788) 12.158 9.431 ( 9.589 19.758 15.278) 26.753 10.012 ( 5.825 -3.158 9.655) 11.711 10.544 ( 11.341 7.183 4.667) 14.212 10.871 ( 10.943 -2.145 -0.580) 11.166 11.549 ( 13.881 13.164 2.314) 19.270 11.681 ( 5.929 2.582 1.635) 6.670 12.099 ( 3.904 2.558 -1.993) 5.075 12.155 ( 3.388 -0.305 4.720) 5.818 13.033 ( -10.667 15.681 8.253) 20.683 13.267 ( -7.796 7.817 3.539) 11.593 13.517 ( -9.419 16.406 30.438) 35.838 13.716 ( 0.718 17.099 21.670) 27.613 13.934 ( 5.341 3.358 10.147) 11.948 14.418 ( 2.905 12.865 3.741) 13.709 14.812 ( 9.174 -6.948 -15.797) 19.545 15.465 ( 2.020 -8.780 -26.755) 28.231 17.563 ( -5.625 -5.525 16.924) 18.671 17.953 ( -11.596 -19.652 10.421) 25.085 18.821 ( -1.877 -5.358 -28.170) 28.737 18.958 ( -4.679 -13.341 -25.169) 28.868 ======================= Grid point 495 (261/312) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.120 ( -3.264 14.202 11.870) 18.795 4.546 ( -3.928 1.457 -13.202) 13.851 4.812 ( 9.860 4.405 -8.940) 14.019 4.924 ( 8.528 -4.568 8.747) 13.042 5.178 ( 5.444 3.774 -1.487) 6.789 5.584 ( -6.395 -11.252 6.250) 14.373 5.649 ( -10.532 -3.953 -1.066) 11.300 5.762 ( -5.154 -5.872 15.062) 16.968 6.193 ( -15.526 3.419 -0.880) 15.922 6.539 ( 4.521 -0.456 -14.049) 14.766 6.782 ( -2.120 -19.280 -10.684) 22.144 6.948 ( -1.429 -17.711 -13.881) 22.548 7.729 ( -2.271 2.953 6.421) 7.423 7.953 ( -0.335 -7.595 1.089) 7.680 8.540 ( -0.319 0.504 -2.497) 2.567 8.597 ( -5.797 -2.980 -2.009) 6.821 9.735 ( 14.260 19.348 15.366) 28.528 10.176 ( 6.502 3.473 9.391) 11.939 10.770 ( 9.234 7.220 6.503) 13.404 11.067 ( 6.735 -3.635 -0.532) 7.672 11.733 ( 4.332 12.022 2.850) 13.093 11.760 ( 3.255 9.797 2.977) 10.745 12.109 ( -2.218 -1.266 0.718) 2.653 12.214 ( 1.617 -2.568 2.838) 4.155 12.836 ( -12.587 17.115 11.673) 24.240 13.103 ( -9.516 9.556 4.736) 14.293 13.494 ( -3.844 19.673 31.858) 37.640 13.820 ( 2.363 17.295 18.476) 25.418 14.061 ( 3.400 1.456 11.902) 12.463 14.450 ( -0.451 21.502 3.662) 21.816 14.922 ( 6.852 -15.922 -19.501) 26.091 15.409 ( 2.036 -7.170 -27.992) 28.967 17.550 ( -1.496 -10.727 16.608) 19.827 17.795 ( -8.223 -17.955 13.349) 23.837 18.701 ( -0.223 -7.067 -28.692) 29.550 18.796 ( -2.527 -12.775 -26.152) 29.215 ======================= Grid point 496 (262/312) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.065 ( -5.458 14.025 10.550) 18.380 4.431 ( -2.891 1.343 -7.864) 8.485 4.991 ( 6.569 -1.923 -0.893) 6.903 5.027 ( -5.084 -9.404 8.505) 13.660 5.144 ( -8.903 3.284 -2.930) 9.932 5.466 ( -8.957 -9.063 3.633) 13.249 5.672 ( 14.817 -5.334 4.326) 16.331 5.780 ( 7.068 -6.672 7.155) 12.069 5.927 ( -8.474 10.426 0.494) 13.444 6.576 ( -3.562 -13.937 -4.079) 14.952 6.625 ( -0.396 -5.900 -12.989) 14.272 7.002 ( 8.735 -15.225 -21.794) 27.984 7.725 ( 0.322 2.148 4.003) 4.554 7.957 ( 0.656 -8.083 -0.656) 8.137 8.524 ( -0.362 0.841 -2.737) 2.886 8.601 ( 6.342 -2.651 -3.909) 7.907 10.026 ( 9.649 17.496 12.833) 23.747 10.274 ( 0.151 8.632 3.490) 9.312 10.920 ( 3.265 6.144 6.578) 9.575 11.072 ( -4.452 -1.672 -1.873) 5.111 11.721 ( -7.433 10.871 8.343) 15.589 11.871 ( 4.771 5.840 0.818) 7.586 12.047 ( -4.229 1.634 6.773) 8.150 12.232 ( -0.465 -3.023 -0.629) 3.123 12.663 ( -8.341 18.330 15.368) 25.333 12.981 ( -4.375 10.267 10.034) 15.008 13.567 ( -0.112 19.850 30.284) 36.210 13.904 ( 0.503 20.820 11.530) 23.805 14.137 ( -0.594 -3.396 16.408) 16.766 14.440 ( -1.671 21.462 3.367) 21.789 14.916 ( -0.313 -15.265 -20.585) 25.629 15.361 ( 3.015 -6.039 -28.710) 29.492 17.605 ( 0.487 -14.312 16.212) 21.631 17.752 ( -0.416 -17.295 14.717) 22.712 18.626 ( 2.812 -8.105 -29.046) 30.287 18.707 ( 3.161 -11.965 -27.070) 29.764 ======================= Grid point 497 (263/312) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.001 ( -4.856 15.177 12.305) 20.133 4.391 ( -1.607 5.013 1.396) 5.446 4.703 ( -16.118 -3.188 -5.006) 17.176 4.967 ( -8.903 -12.865 2.374) 15.824 5.128 ( -0.912 1.084 9.785) 9.887 5.374 ( -1.439 -6.900 -0.990) 7.118 5.746 ( -7.075 7.986 10.901) 15.253 5.886 ( 11.674 -0.152 -1.140) 11.731 6.320 ( 32.174 -7.116 -1.487) 32.985 6.433 ( -6.108 -16.738 0.166) 17.818 6.652 ( 4.141 -0.347 -16.298) 16.820 7.095 ( 7.924 -15.513 -16.578) 24.047 7.781 ( 4.851 0.361 1.437) 5.072 7.976 ( 1.715 -7.425 0.286) 7.626 8.551 ( 4.421 4.885 -6.478) 9.240 8.740 ( 9.098 -4.694 -5.499) 11.621 10.140 ( -3.954 17.437 6.078) 18.885 10.211 ( -4.278 12.201 -0.766) 12.952 10.891 ( -9.338 0.483 0.569) 9.368 10.967 ( -5.269 -2.770 2.018) 6.286 11.543 ( -11.750 11.518 8.369) 18.460 11.853 ( -6.086 -0.490 8.872) 10.770 11.993 ( -6.037 11.609 3.758) 13.614 12.201 ( -2.730 -1.747 2.886) 4.340 12.663 ( 2.540 17.652 15.448) 23.594 13.022 ( 3.727 7.994 14.492) 16.965 13.671 ( 0.207 16.080 26.327) 30.850 13.915 ( -2.338 22.021 7.824) 23.486 14.143 ( -4.684 -4.967 17.064) 18.379 14.406 ( -3.670 14.822 5.421) 16.204 14.800 ( -3.616 -6.831 -18.727) 20.259 15.336 ( 4.523 -5.884 -28.896) 29.834 17.661 ( -0.021 -12.053 16.849) 20.717 17.868 ( 6.319 -19.978 12.415) 24.356 18.621 ( 6.931 -7.275 -28.984) 30.677 18.744 ( 10.049 -12.560 -27.005) 31.432 ======================= Grid point 498 (264/312) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.962 ( -4.122 18.673 14.557) 24.033 4.236 ( -14.071 13.043 9.023) 21.202 4.599 ( 4.788 -6.337 -4.291) 9.027 4.821 ( -4.144 -15.152 1.460) 15.776 5.124 ( -3.253 5.303 11.152) 12.770 5.345 ( -1.183 -4.796 -1.558) 5.179 5.671 ( -3.995 2.343 10.674) 11.635 6.077 ( 5.425 -5.220 0.192) 7.531 6.374 ( 1.896 -5.279 -5.451) 7.822 6.658 ( 2.386 0.222 -15.394) 15.580 6.864 ( 20.639 -8.320 -8.638) 23.870 7.241 ( 12.438 -17.260 -4.566) 21.759 7.931 ( 10.656 -1.363 -1.144) 10.804 8.058 ( 7.564 -4.919 1.874) 9.216 8.638 ( 6.910 7.624 -7.339) 12.639 8.896 ( 8.606 -5.343 -6.974) 12.298 9.953 ( -11.062 16.536 -6.241) 20.851 10.129 ( -6.402 13.577 5.172) 15.877 10.619 ( -18.034 -3.372 -2.117) 18.468 10.802 ( -10.701 -5.205 1.284) 11.968 11.388 ( -8.606 13.227 10.232) 18.807 11.727 ( -11.222 0.886 7.378) 13.459 11.863 ( -6.417 10.268 5.055) 13.121 12.124 ( -6.821 -3.221 5.951) 9.608 12.817 ( 6.568 17.571 16.084) 24.710 13.174 ( 5.328 5.979 15.541) 17.483 13.719 ( -3.568 12.021 16.535) 20.752 13.887 ( -3.454 15.870 9.988) 19.067 14.086 ( -5.925 -1.068 13.863) 15.114 14.329 ( -6.049 5.330 8.201) 11.501 14.694 ( -1.067 7.121 -13.544) 15.339 15.342 ( 6.097 -6.356 -28.274) 29.614 17.724 ( 0.386 -7.848 17.546) 19.224 18.043 ( 7.480 -21.187 8.727) 24.104 18.697 ( 10.590 -5.624 -28.010) 30.468 18.897 ( 14.426 -14.588 -26.393) 33.429 ======================= Grid point 499 (265/312) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.928 ( -4.420 20.940 14.498) 25.849 4.053 ( -7.568 12.794 11.593) 18.851 4.691 ( 5.149 -4.462 0.080) 6.814 4.850 ( 3.036 -10.395 7.145) 12.974 5.094 ( -2.062 10.597 9.060) 14.094 5.333 ( 0.963 -2.699 -2.523) 3.818 5.672 ( 0.701 -2.726 10.096) 10.481 6.112 ( -0.104 -16.326 3.093) 16.617 6.432 ( 5.485 4.727 -12.110) 14.109 6.643 ( 1.214 -3.510 -12.876) 13.401 7.043 ( 4.007 1.090 -8.010) 9.023 7.446 ( 6.209 -17.698 -4.630) 19.319 8.154 ( 8.710 1.724 -4.414) 9.916 8.261 ( 10.789 -2.725 -3.722) 11.733 8.813 ( 14.865 5.078 1.002) 15.740 9.004 ( 5.309 -3.122 -6.001) 8.599 9.773 ( -3.299 12.323 -3.523) 13.234 10.018 ( -5.877 8.267 1.280) 10.223 10.238 ( -18.613 0.864 2.422) 18.790 10.639 ( -6.093 -5.261 0.593) 8.072 11.217 ( -11.615 9.992 4.105) 15.862 11.469 ( -15.310 0.564 4.705) 16.026 11.777 ( -6.760 5.739 6.425) 10.951 11.980 ( -10.241 -5.371 6.498) 13.265 12.993 ( 5.531 15.978 16.508) 23.631 13.297 ( 1.096 5.666 17.224) 18.165 13.659 ( -5.191 11.138 6.659) 13.977 13.842 ( -4.406 6.170 8.051) 11.059 14.020 ( -5.834 6.478 13.345) 15.940 14.268 ( -3.125 1.739 11.150) 11.710 14.662 ( 1.152 15.085 -8.379) 17.295 15.378 ( 7.174 -7.330 -26.970) 28.854 17.785 ( -0.596 -3.542 18.239) 18.589 18.204 ( 6.396 -20.845 5.706) 22.538 18.827 ( 11.887 -4.347 -26.471) 29.341 19.094 ( 14.326 -16.437 -26.370) 34.217 ======================= Grid point 500 (266/312) ======================= q-point: (-0.10 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.918 ( -0.804 18.133 13.278) 22.489 3.997 ( -3.490 11.185 12.790) 17.345 4.812 ( 5.221 7.043 -2.165) 9.030 4.877 ( -1.982 -2.915 17.907) 18.251 5.148 ( 4.593 6.465 -0.317) 7.937 5.366 ( 3.454 -1.872 -3.968) 5.584 5.774 ( 5.656 -3.814 13.595) 15.211 6.149 ( 2.607 -18.671 6.150) 19.830 6.483 ( 4.277 2.672 -13.965) 14.848 6.629 ( 1.625 -6.302 -7.976) 10.294 7.018 ( -3.767 8.326 -7.586) 11.877 7.453 ( -2.253 -11.956 -6.726) 13.902 8.126 ( -6.045 3.070 -9.187) 11.418 8.277 ( -8.113 -2.160 -13.496) 15.895 9.155 ( 13.197 3.693 6.273) 15.072 9.222 ( 19.074 1.939 7.199) 20.479 9.769 ( -5.036 5.208 2.569) 7.687 9.920 ( 0.092 3.019 1.664) 3.449 10.030 ( -0.322 3.578 -0.229) 3.599 10.530 ( -8.217 -10.529 -0.525) 13.366 11.011 ( -6.429 11.264 0.111) 12.970 11.270 ( -6.502 -0.993 5.293) 8.443 11.588 ( -13.447 2.634 3.554) 14.156 11.788 ( -10.460 -8.074 3.380) 13.639 13.138 ( 3.479 13.224 16.770) 21.639 13.331 ( -3.031 7.164 18.272) 19.859 13.607 ( -1.507 11.832 2.144) 12.119 13.785 ( -3.646 3.844 6.862) 8.670 13.951 ( -6.006 11.630 13.767) 18.996 14.262 ( -2.022 -1.269 9.826) 10.112 14.669 ( 1.547 17.326 -4.683) 18.014 15.431 ( 7.363 -8.616 -25.499) 27.904 17.816 ( -2.826 -0.079 18.600) 18.814 18.318 ( 3.333 -20.452 4.213) 21.146 18.959 ( 10.308 -3.812 -25.252) 27.540 19.248 ( 10.436 -16.757 -26.763) 33.256 ======================= Grid point 501 (267/312) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.102 ( -0.848 -2.514 7.318) 7.784 4.102 ( -0.848 2.514 7.318) 7.784 4.970 ( 3.097 -4.228 11.286) 12.444 4.970 ( 3.097 4.228 11.286) 12.444 5.368 ( 4.126 -5.972 -7.033) 10.107 5.368 ( 4.126 5.972 -7.033) 10.107 5.960 ( 4.519 -6.411 11.608) 14.010 5.960 ( 4.519 6.411 11.608) 14.010 6.544 ( 2.487 -5.725 -5.650) 8.419 6.544 ( 2.487 5.725 -5.650) 8.419 7.123 ( -6.030 -12.663 -12.833) 19.011 7.123 ( -6.030 12.663 -12.833) 19.011 7.965 ( -10.084 -1.794 -6.613) 12.191 7.965 ( -10.084 1.794 -6.613) 12.191 9.496 ( 4.719 -4.436 0.705) 6.515 9.496 ( 4.719 4.436 0.705) 6.515 9.793 ( -14.410 -19.973 13.217) 27.951 9.793 ( -14.410 19.973 13.217) 27.951 10.203 ( 11.914 -6.581 -6.101) 14.916 10.203 ( 11.914 6.581 -6.101) 14.916 11.160 ( -6.469 -5.891 8.623) 12.285 11.160 ( -6.469 5.891 8.623) 12.285 11.509 ( 4.795 -7.881 -2.356) 9.521 11.509 ( 4.795 7.881 -2.356) 9.521 13.368 ( -0.809 -3.384 15.958) 16.333 13.368 ( -0.809 3.384 15.958) 16.333 13.776 ( 0.340 -4.267 3.273) 5.388 13.776 ( 0.340 4.267 3.273) 5.388 14.100 ( -6.453 -9.835 14.580) 18.734 14.100 ( -6.453 9.835 14.580) 18.734 15.133 ( 2.839 -24.052 -10.347) 26.336 15.133 ( 2.839 24.052 -10.347) 26.336 17.981 ( -3.244 -15.848 11.235) 19.695 17.981 ( -3.244 15.848 11.235) 19.695 19.077 ( 6.772 -7.312 -30.032) 31.643 19.077 ( 6.772 7.312 -30.032) 31.643 ======================= Grid point 503 (268/312) ======================= q-point: ( 0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.135 ( 1.703 -5.829 7.014) 9.278 4.135 ( 1.703 5.829 7.014) 9.278 5.033 ( 0.907 -9.059 4.412) 10.117 5.033 ( 0.907 9.059 4.412) 10.117 5.418 ( 3.229 -9.407 -8.661) 13.188 5.418 ( 3.229 9.407 -8.661) 13.188 6.003 ( -3.501 -0.701 6.447) 7.370 6.003 ( -3.501 0.701 6.447) 7.370 6.559 ( -2.067 -10.544 -3.959) 11.451 6.559 ( -2.067 10.544 -3.959) 11.451 6.974 ( -2.340 -6.120 -9.826) 11.810 6.974 ( -2.340 6.120 -9.826) 11.810 7.838 ( -2.887 -4.504 4.997) 7.320 7.838 ( -2.887 4.504 4.997) 7.320 9.295 ( -18.396 -4.246 0.228) 18.881 9.295 ( -18.396 4.246 0.228) 18.881 9.673 ( -4.279 -14.490 7.565) 16.897 9.673 ( -4.279 14.490 7.565) 16.897 10.458 ( 10.300 -7.124 -1.976) 12.678 10.458 ( 10.300 7.124 -1.976) 12.678 11.109 ( 4.823 -10.488 5.553) 12.810 11.109 ( 4.823 10.488 5.553) 12.810 11.758 ( 16.149 -6.651 -0.002) 17.465 11.758 ( 16.149 6.651 -0.002) 17.465 13.390 ( -2.201 -3.286 12.666) 13.269 13.390 ( -2.201 3.286 12.666) 13.269 13.805 ( -0.628 -1.681 12.942) 13.066 13.805 ( -0.628 1.681 12.942) 13.066 14.025 ( -4.142 -12.945 7.528) 15.537 14.025 ( -4.142 12.945 7.528) 15.537 15.146 ( 1.938 -24.888 -9.649) 26.764 15.146 ( 1.938 24.888 -9.649) 26.764 17.915 ( -7.266 -16.089 10.756) 20.672 17.915 ( -7.266 16.089 10.756) 20.672 19.057 ( 1.711 -6.005 -29.804) 30.451 19.057 ( 1.711 6.005 -29.804) 30.451 ======================= Grid point 505 (269/312) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.216 ( 4.279 -9.183 6.733) 12.164 4.216 ( 4.279 9.183 6.733) 12.164 5.031 ( -1.868 -9.363 -2.891) 9.976 5.031 ( -1.868 9.363 -2.891) 9.976 5.409 ( -1.147 -16.205 -9.921) 19.035 5.409 ( -1.147 16.205 -9.921) 19.035 5.906 ( -7.651 -3.937 8.860) 12.351 5.906 ( -7.651 3.937 8.860) 12.351 6.467 ( -1.375 -10.433 -13.264) 16.931 6.467 ( -1.375 10.433 -13.264) 16.931 6.928 ( -3.674 -7.341 -1.556) 8.356 6.928 ( -3.674 7.341 -1.556) 8.356 7.846 ( -0.788 -4.706 11.492) 12.443 7.846 ( -0.788 4.706 11.492) 12.443 8.957 ( -15.343 -1.706 -2.720) 15.676 8.957 ( -15.343 1.706 -2.720) 15.676 9.643 ( 0.530 -16.351 9.099) 18.720 9.643 ( 0.530 16.351 9.099) 18.720 10.586 ( 6.017 -10.146 0.779) 11.822 10.586 ( 6.017 10.146 0.779) 11.822 11.377 ( 17.136 -6.569 4.324) 18.854 11.377 ( 17.136 6.569 4.324) 18.854 12.026 ( 10.005 -3.528 0.373) 10.615 12.026 ( 10.005 3.528 0.373) 10.615 13.360 ( -5.023 -5.234 9.606) 12.038 13.360 ( -5.023 5.234 9.606) 12.038 13.800 ( -7.149 -2.657 29.312) 30.288 13.800 ( -7.149 2.657 29.312) 30.288 14.054 ( 7.209 -17.649 -5.864) 19.946 14.054 ( 7.209 17.649 -5.864) 19.946 15.142 ( 1.172 -24.923 -10.023) 26.889 15.142 ( 1.172 24.923 -10.023) 26.889 17.784 ( -9.672 -14.702 10.738) 20.616 17.784 ( -9.672 14.702 10.738) 20.616 18.950 ( -2.014 -4.585 -29.693) 30.112 18.950 ( -2.014 4.585 -29.693) 30.112 ======================= Grid point 507 (270/312) ======================= q-point: ( 0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.338 ( 5.269 -12.628 7.001) 15.370 4.338 ( 5.269 12.628 7.001) 15.370 4.932 ( -4.919 -6.348 -10.087) 12.893 4.932 ( -4.919 6.348 -10.087) 12.893 5.345 ( -1.076 -15.413 -7.812) 17.313 5.345 ( -1.076 15.413 -7.812) 17.313 5.796 ( -8.324 -3.169 14.778) 17.255 5.796 ( -8.324 3.169 14.778) 17.255 6.447 ( 2.769 -10.304 -12.195) 16.204 6.447 ( 2.769 10.304 -12.195) 16.204 6.785 ( -8.439 -11.002 -6.728) 15.412 6.785 ( -8.439 11.002 -6.728) 15.412 7.847 ( -2.736 -5.331 9.603) 11.319 7.847 ( -2.736 5.331 9.603) 11.319 8.695 ( -10.106 -2.967 -3.536) 11.111 8.695 ( -10.106 2.967 -3.536) 11.111 9.793 ( 10.152 -16.481 13.024) 23.330 9.793 ( 10.152 16.481 13.024) 23.330 10.746 ( 9.948 -10.117 1.573) 14.276 10.746 ( 9.948 10.117 1.573) 14.276 11.694 ( 12.494 -2.233 4.984) 13.636 11.694 ( 12.494 2.233 4.984) 13.636 12.133 ( 1.439 -1.661 0.463) 2.246 12.133 ( 1.439 1.661 0.463) 2.246 13.254 ( -9.381 -7.266 10.407) 15.783 13.254 ( -9.381 7.266 10.407) 15.783 13.782 ( -4.407 -7.479 31.011) 32.203 13.782 ( -4.407 7.479 31.011) 32.203 14.212 ( 10.030 -19.879 -8.045) 23.675 14.212 ( 10.030 19.879 -8.045) 23.675 15.125 ( 0.904 -24.022 -11.412) 26.610 15.125 ( 0.904 24.022 -11.412) 26.610 17.633 ( -9.227 -11.733 11.508) 18.847 17.633 ( -9.227 11.733 11.508) 18.847 18.794 ( -3.107 -3.271 -29.873) 30.211 18.794 ( -3.107 3.271 -29.873) 30.211 ======================= Grid point 509 (271/312) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( -2.447 -13.444 4.016) 14.243 4.399 ( -2.447 13.444 4.016) 14.243 4.883 ( 4.594 -3.242 -5.655) 7.975 4.883 ( 4.594 3.242 -5.655) 7.975 5.325 ( 1.030 -11.565 -7.003) 13.559 5.325 ( 1.030 11.565 -7.003) 13.559 5.663 ( -10.153 -3.851 15.704) 19.093 5.663 ( -10.153 3.851 15.704) 19.093 6.392 ( -8.052 -15.662 -1.448) 17.670 6.392 ( -8.052 15.662 -1.448) 17.670 6.672 ( 4.136 -10.018 -20.674) 23.343 6.672 ( 4.136 10.018 -20.674) 23.343 7.823 ( -2.168 -5.996 6.383) 9.022 7.823 ( -2.168 5.996 6.383) 9.022 8.557 ( -2.887 -1.313 -2.929) 4.318 8.557 ( -2.887 1.313 -2.929) 4.318 10.062 ( 11.581 -13.132 12.787) 21.682 10.062 ( 11.581 13.132 12.787) 21.682 10.942 ( 7.920 -8.865 2.042) 12.061 10.942 ( 7.920 8.865 2.042) 12.061 11.868 ( 4.061 -1.538 3.355) 5.487 11.868 ( 4.061 1.538 3.355) 5.487 12.128 ( -1.450 -4.491 3.633) 5.956 12.128 ( -1.451 4.491 3.633) 5.956 13.087 ( -11.414 -8.542 15.092) 20.761 13.087 ( -11.414 8.542 15.091) 20.761 13.839 ( -0.554 -11.302 28.303) 30.481 13.839 ( -0.554 11.302 28.303) 30.481 14.344 ( 5.681 -20.968 -8.619) 23.371 14.344 ( 5.681 20.968 -8.619) 23.371 15.103 ( 1.190 -22.500 -13.377) 26.203 15.103 ( 1.190 22.500 -13.377) 26.203 17.526 ( -5.524 -7.925 12.716) 15.969 17.526 ( -5.524 7.925 12.716) 15.969 18.647 ( -1.102 -2.217 -30.284) 30.386 18.647 ( -1.102 2.217 -30.284) 30.386 ======================= Grid point 511 (272/312) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( -4.104 -11.254 2.203) 12.179 4.325 ( -4.104 11.254 2.203) 12.179 4.951 ( -2.834 -1.110 3.009) 4.280 4.951 ( -2.834 1.110 3.009) 4.280 5.271 ( -4.818 -9.269 -2.685) 10.785 5.271 ( -4.818 9.269 -2.685) 10.785 5.661 ( 10.026 -3.863 5.990) 12.302 5.661 ( 10.026 3.863 5.990) 12.302 6.212 ( -8.453 -17.665 1.692) 19.656 6.212 ( -8.453 17.665 1.692) 19.656 6.734 ( 7.928 -11.062 -22.569) 26.355 6.734 ( 7.928 11.062 -22.569) 26.355 7.816 ( -0.343 -6.353 4.881) 8.019 7.816 ( -0.343 6.353 4.881) 8.019 8.555 ( 3.521 -2.062 -4.268) 5.904 8.555 ( 3.521 2.062 -4.268) 5.904 10.284 ( 6.439 -7.587 8.956) 13.387 10.284 ( 6.439 7.587 8.956) 13.387 11.009 ( -1.786 -4.184 0.579) 4.586 11.009 ( -1.786 4.184 0.579) 4.586 11.879 ( -4.977 -4.496 6.250) 9.167 11.879 ( -4.977 4.496 6.250) 9.167 12.136 ( 1.324 -6.157 3.227) 7.076 12.136 ( 1.324 6.157 3.227) 7.076 12.954 ( -7.468 -10.427 20.899) 24.521 12.954 ( -7.468 10.427 20.899) 24.521 13.927 ( -0.188 -13.428 24.046) 27.542 13.927 ( -0.188 13.428 24.046) 27.542 14.362 ( -0.935 -19.435 -6.459) 20.501 14.362 ( -0.935 19.435 -6.459) 20.501 15.082 ( 1.653 -21.102 -15.104) 26.003 15.082 ( 1.653 21.102 -15.104) 26.003 17.515 ( -0.201 -5.155 13.389) 14.349 17.515 ( -0.201 5.155 13.389) 14.349 18.563 ( 3.463 -2.133 -30.639) 30.908 18.563 ( 3.463 2.133 -30.639) 30.908 ======================= Grid point 513 (273/312) ======================= q-point: (-0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.296 ( -0.021 -13.491 5.569) 14.595 4.296 ( -0.021 13.491 5.569) 14.595 4.747 ( -15.399 -8.843 3.927) 18.186 4.747 ( -15.399 8.843 3.927) 18.186 5.228 ( 0.407 -7.389 -1.310) 7.515 5.228 ( 0.407 7.389 -1.310) 7.515 5.908 ( 2.203 -3.448 8.245) 9.204 5.908 ( 2.203 3.448 8.245) 9.204 6.185 ( 12.447 -2.319 -3.213) 13.062 6.185 ( 12.447 2.319 -3.213) 13.062 6.809 ( 7.866 -12.777 -20.582) 25.471 6.809 ( 7.866 12.777 -20.582) 25.471 7.849 ( 2.512 -5.555 4.153) 7.376 7.849 ( 2.512 5.555 4.153) 7.376 8.647 ( 7.454 -4.894 -6.755) 11.187 8.647 ( 7.454 4.894 -6.755) 11.187 10.338 ( -2.965 -1.379 2.054) 3.862 10.338 ( -2.965 1.379 2.054) 3.862 10.896 ( -9.814 -2.345 0.725) 10.117 10.896 ( -9.814 2.345 0.725) 10.117 11.757 ( -8.599 -8.858 9.739) 15.725 11.757 ( -8.599 8.858 9.739) 15.725 12.143 ( -3.456 -4.594 3.850) 6.919 12.143 ( -3.456 4.594 3.850) 6.919 12.970 ( 1.272 -11.695 22.631) 25.505 12.970 ( 1.272 11.695 22.631) 25.505 13.972 ( -2.797 -13.263 16.272) 21.178 13.972 ( -2.797 13.263 16.272) 21.178 14.287 ( -4.886 -16.051 0.995) 16.807 14.287 ( -4.886 16.051 0.995) 16.807 15.067 ( 2.311 -20.520 -15.653) 25.912 15.067 ( 2.311 20.520 -15.653) 25.912 17.599 ( 3.841 -6.159 13.101) 14.977 17.599 ( 3.841 6.159 13.101) 14.977 18.580 ( 8.937 -3.449 -30.639) 32.102 18.580 ( 8.937 3.449 -30.639) 32.102 ======================= Grid point 515 (274/312) ======================= q-point: (-0.30 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.325 ( -2.798 -16.601 7.388) 18.385 4.325 ( -2.798 16.601 7.388) 18.385 4.525 ( -5.157 -13.708 7.972) 16.675 4.525 ( -5.157 13.708 7.972) 16.675 5.245 ( 1.581 -5.781 -1.302) 6.133 5.245 ( 1.581 5.781 -1.302) 6.133 5.847 ( -6.293 -14.067 8.007) 17.366 5.847 ( -6.293 14.067 8.007) 17.366 6.474 ( 12.065 -12.316 -11.423) 20.682 6.474 ( 12.065 12.316 -11.423) 20.682 6.950 ( 13.261 -12.054 -12.176) 21.666 6.950 ( 13.261 12.054 -12.176) 21.666 7.967 ( 9.105 -4.002 3.294) 10.477 7.967 ( 9.105 4.002 3.294) 10.477 8.779 ( 8.356 -6.677 -8.128) 13.434 8.779 ( 8.356 6.677 -8.128) 13.434 10.202 ( -9.981 -7.385 -4.214) 13.111 10.202 ( -9.981 7.385 -4.214) 13.111 10.657 ( -13.695 -7.893 2.828) 16.058 10.657 ( -13.695 7.893 2.828) 16.058 11.623 ( -10.364 -9.847 11.071) 18.082 11.623 ( -10.364 9.847 11.071) 18.082 12.032 ( -8.299 -6.511 5.228) 11.773 12.032 ( -8.299 6.511 5.228) 11.773 13.112 ( 4.391 -11.112 20.750) 23.944 13.112 ( 4.391 11.112 20.750) 23.944 13.919 ( -5.913 -9.712 5.136) 12.476 13.919 ( -5.913 9.712 5.136) 12.476 14.217 ( -4.335 -10.722 12.275) 16.865 14.217 ( -4.335 10.722 12.275) 16.865 15.067 ( 3.049 -20.806 -14.986) 25.821 15.067 ( 3.049 20.806 -14.986) 25.821 17.735 ( 5.249 -9.048 12.480) 16.284 17.735 ( 5.249 9.048 12.480) 16.284 18.692 ( 12.942 -5.522 -30.384) 33.484 18.692 ( 12.942 5.522 -30.384) 33.484 ======================= Grid point 517 (275/312) ======================= q-point: (-0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.211 ( -7.520 -2.098 6.007) 9.851 4.211 ( -7.520 2.098 6.007) 9.851 4.629 ( 7.282 -5.797 15.812) 18.348 4.629 ( 7.282 5.797 15.812) 18.348 5.277 ( 2.273 -5.041 -2.116) 5.921 5.277 ( 2.273 5.041 -2.116) 5.921 5.780 ( -2.602 -14.366 7.838) 16.570 5.780 ( -2.602 14.366 7.838) 16.570 6.555 ( 3.388 -6.275 -16.759) 18.213 6.555 ( 3.388 6.275 -16.759) 18.213 7.154 ( 8.410 -10.998 -6.150) 15.150 7.154 ( 8.410 10.998 -6.150) 15.150 8.201 ( 11.312 -3.113 -2.799) 12.062 8.201 ( 11.312 3.113 -2.799) 12.062 8.919 ( 9.827 -5.319 -4.685) 12.117 8.919 ( 9.827 5.319 -4.685) 12.117 9.976 ( -9.198 -8.322 -5.096) 13.410 9.976 ( -9.198 8.322 -5.096) 13.410 10.444 ( -9.901 -13.754 5.857) 17.931 10.444 ( -9.901 13.754 5.857) 17.931 11.397 ( -14.807 -7.519 6.623) 17.879 11.397 ( -14.807 7.519 6.623) 17.879 11.878 ( -10.325 -5.166 6.077) 13.046 11.878 ( -10.325 5.166 6.077) 13.046 13.244 ( 1.914 -9.281 19.328) 21.526 13.244 ( 1.914 9.281 19.328) 21.526 13.820 ( -4.268 -7.154 0.780) 8.366 13.820 ( -4.268 7.154 0.780) 8.366 14.190 ( -3.940 -8.143 16.341) 18.678 14.190 ( -3.940 8.143 16.341) 18.678 15.083 ( 3.514 -21.669 -13.558) 25.801 15.083 ( 3.514 21.669 -13.558) 25.801 17.871 ( 4.124 -11.913 12.059) 17.446 17.871 ( 4.124 11.913 12.059) 17.446 18.855 ( 13.798 -7.296 -30.221) 34.013 18.855 ( 13.798 7.296 -30.221) 34.013 ======================= Grid point 519 (276/312) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.122 ( -3.910 -1.248 7.051) 8.158 4.122 ( -3.910 1.248 7.051) 8.158 4.829 ( 6.562 -3.836 16.427) 18.100 4.829 ( 6.562 3.836 16.427) 18.101 5.318 ( 3.043 -5.657 -4.360) 7.764 5.318 ( 3.043 5.657 -4.360) 7.764 5.822 ( 3.713 -11.497 10.779) 16.191 5.822 ( 3.713 11.497 10.779) 16.191 6.544 ( 1.606 -3.285 -14.448) 14.903 6.544 ( 1.606 3.285 -14.448) 14.903 7.214 ( 0.358 -11.635 -6.780) 13.471 7.214 ( 0.358 11.635 -6.780) 13.471 8.208 ( -7.872 -4.469 -12.242) 15.225 8.208 ( -7.872 4.469 -12.242) 15.225 9.209 ( 19.023 -2.251 2.849) 19.366 9.209 ( 19.023 2.251 2.849) 19.366 9.883 ( -0.034 -4.889 0.287) 4.897 9.883 ( -0.034 4.889 0.287) 4.897 10.259 ( -12.051 -15.817 5.277) 20.573 10.259 ( -12.051 15.817 5.277) 20.573 11.197 ( -5.056 -6.849 3.232) 9.106 11.197 ( -5.056 6.849 3.232) 9.106 11.654 ( -13.792 -5.025 3.841) 15.173 11.654 ( -13.792 5.025 3.841) 15.173 13.321 ( -0.185 -5.989 17.940) 18.914 13.321 ( -0.185 5.989 17.940) 18.914 13.774 ( -0.997 -5.730 0.789) 5.869 13.774 ( -0.997 5.730 0.789) 5.869 14.160 ( -5.046 -8.725 16.232) 19.107 14.160 ( -5.046 8.725 16.232) 19.107 15.108 ( 3.458 -22.840 -11.820) 25.949 15.108 ( 3.458 22.840 -11.820) 25.949 17.963 ( 0.983 -14.312 11.717) 18.523 17.963 ( 0.983 14.312 11.717) 18.523 19.001 ( 11.379 -7.920 -30.168) 33.201 19.001 ( 11.379 7.920 -30.168) 33.201 ======================= Grid point 561 (277/312) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( -3.043 0.000 -17.484) 17.747 3.540 ( 3.043 0.000 17.484) 17.747 3.681 ( -16.268 0.000 -37.866) 41.212 3.681 ( 16.268 0.000 37.866) 41.212 4.867 ( -6.309 0.000 -2.843) 6.920 4.867 ( 6.309 0.000 2.843) 6.920 6.248 ( -0.407 0.000 -28.049) 28.052 6.248 ( 0.407 0.000 28.049) 28.052 6.983 ( 3.656 0.000 -8.943) 9.662 6.983 ( -3.656 0.000 8.943) 9.662 7.504 ( 3.233 0.000 -4.397) 5.457 7.504 ( -3.233 0.000 4.397) 5.457 8.363 ( -11.775 0.000 -11.760) 16.642 8.363 ( 11.775 0.000 11.760) 16.642 9.346 ( 8.967 0.000 -20.220) 22.119 9.346 ( -8.967 0.000 20.220) 22.119 10.115 ( -9.942 0.000 -2.299) 10.204 10.115 ( 9.942 0.000 2.299) 10.204 10.587 ( -6.807 0.000 -4.489) 8.153 10.587 ( 6.807 0.000 4.489) 8.153 10.675 ( -3.461 0.000 -18.725) 19.042 10.675 ( 3.461 0.000 18.725) 19.042 11.002 ( -2.793 0.000 -12.049) 12.369 11.002 ( 2.793 0.000 12.049) 12.369 11.628 ( -4.433 0.000 -17.706) 18.253 11.628 ( 4.433 0.000 17.706) 18.253 13.255 ( 2.386 0.000 -7.550) 7.918 13.255 ( -2.386 0.000 7.550) 7.918 14.125 ( 5.680 0.000 -43.857) 44.224 14.125 ( -5.680 0.000 43.857) 44.224 14.583 ( 7.760 0.000 -26.548) 27.659 14.583 ( -7.760 0.000 26.548) 27.659 18.782 ( 5.105 0.000 -18.081) 18.788 18.782 ( -5.105 0.000 18.081) 18.788 20.258 ( -7.591 0.000 -5.825) 9.568 20.258 ( 7.591 0.000 5.825) 9.568 ======================= Grid point 563 (278/312) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( -3.064 0.000 -30.654) 30.807 3.473 ( 2.145 0.000 -14.584) 14.741 3.748 ( 10.952 0.000 10.723) 15.328 4.192 ( 21.023 0.000 35.154) 40.961 4.759 ( -4.193 0.000 1.408) 4.423 5.023 ( 9.337 0.000 1.079) 9.399 6.184 ( 3.861 0.000 -29.487) 29.739 6.382 ( 3.925 0.000 23.065) 23.396 6.974 ( -0.115 0.000 8.744) 8.745 7.039 ( 4.974 0.000 -9.257) 10.508 7.389 ( -10.043 0.000 5.994) 11.696 7.478 ( -4.758 0.000 -2.992) 5.621 8.133 ( -6.929 0.000 -9.424) 11.697 8.613 ( 8.237 0.000 13.732) 16.013 9.252 ( -7.875 0.000 16.667) 18.434 9.466 ( 10.810 0.000 -26.866) 28.960 9.848 ( -14.155 0.000 -6.357) 15.517 10.220 ( 2.920 0.000 -18.973) 19.196 10.405 ( -12.261 0.000 10.645) 16.237 10.544 ( -0.946 0.000 -16.513) 16.540 10.625 ( -6.402 0.000 12.208) 13.785 10.791 ( 2.854 0.000 13.350) 13.652 10.973 ( 2.636 0.000 -5.404) 6.012 11.116 ( 3.565 0.000 10.351) 10.948 11.541 ( 0.358 0.000 -10.365) 10.371 11.813 ( 8.303 0.000 15.182) 17.304 13.199 ( -6.076 0.000 9.514) 11.289 13.234 ( -2.436 0.000 -4.972) 5.537 14.086 ( 6.332 0.000 -46.859) 47.285 14.157 ( -6.222 0.000 42.537) 42.989 14.582 ( -1.546 0.000 25.425) 25.472 14.700 ( 13.989 0.000 -29.970) 33.074 18.764 ( -3.202 0.000 19.330) 19.594 18.834 ( 6.244 0.000 -17.043) 18.151 20.028 ( -14.023 0.000 -2.372) 14.222 20.341 ( -1.409 0.000 5.760) 5.930 ======================= Grid point 564 (279/312) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 16.719 0.000 -20.180) 26.206 3.509 ( 5.174 0.000 -9.183) 10.541 3.984 ( 9.470 0.000 -2.573) 9.813 4.674 ( 16.430 0.000 30.545) 34.684 4.758 ( 2.881 0.000 16.573) 16.821 5.244 ( 13.896 0.000 -3.799) 14.405 6.190 ( 6.456 0.000 -28.192) 28.921 6.516 ( 2.139 0.000 14.810) 14.964 6.981 ( -6.799 0.000 -0.050) 6.799 7.103 ( 4.898 0.000 -10.494) 11.581 7.239 ( -2.934 0.000 14.889) 15.175 7.295 ( -12.636 0.000 -3.664) 13.157 8.071 ( 3.551 0.000 -5.474) 6.525 8.759 ( 2.235 0.000 16.642) 16.791 9.124 ( -10.596 0.000 11.552) 15.675 9.413 ( -7.010 0.000 -38.301) 38.937 9.728 ( 4.474 0.000 4.978) 6.693 10.086 ( -8.924 0.000 -13.287) 16.005 10.171 ( -10.944 0.000 -12.903) 16.919 10.470 ( -12.835 0.000 12.109) 17.645 10.649 ( 12.774 0.000 0.081) 12.774 10.851 ( -1.446 0.000 12.320) 12.405 11.022 ( 3.261 0.000 -3.013) 4.440 11.196 ( 2.226 0.000 10.074) 10.317 11.538 ( 0.406 0.000 -3.977) 3.997 12.035 ( 10.095 0.000 8.214) 13.014 13.097 ( -7.642 0.000 10.504) 12.990 13.129 ( -6.895 0.000 -2.769) 7.430 14.058 ( 7.621 0.000 -48.952) 49.541 14.168 ( -7.738 0.000 43.296) 43.982 14.686 ( 2.943 0.000 26.359) 26.523 14.904 ( 17.599 0.000 -34.034) 38.315 18.794 ( -0.599 0.000 20.635) 20.644 18.903 ( 6.561 0.000 -16.150) 17.432 19.729 ( -16.187 0.000 2.806) 16.428 20.241 ( -9.878 0.000 1.652) 10.015 ======================= Grid point 565 (280/312) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.594 ( 5.396 0.000 -2.457) 5.929 3.811 ( 30.044 0.000 -8.204) 31.144 4.040 ( 0.283 0.000 -13.859) 13.862 5.018 ( 14.238 0.000 30.261) 33.443 5.030 ( 11.125 0.000 23.109) 25.648 5.516 ( 15.292 0.000 -8.065) 17.289 6.224 ( 5.485 0.000 -24.028) 24.646 6.531 ( -6.401 0.000 2.340) 6.815 6.702 ( -15.172 0.000 3.658) 15.606 6.996 ( -15.243 0.000 -7.183) 16.851 7.156 ( 4.714 0.000 -12.575) 13.429 7.356 ( 3.746 0.000 14.075) 14.565 8.219 ( 12.080 0.000 -1.848) 12.221 8.847 ( -0.532 0.000 11.823) 11.835 8.961 ( -5.912 0.000 15.804) 16.874 9.140 ( -7.220 0.000 -29.174) 30.055 9.823 ( -16.643 0.000 7.470) 18.242 9.846 ( 3.490 0.000 3.769) 5.137 9.949 ( -2.851 0.000 -34.492) 34.610 10.238 ( -15.068 0.000 13.853) 20.468 10.826 ( -3.313 0.000 4.590) 5.660 10.878 ( 5.970 0.000 5.123) 7.867 11.076 ( 3.761 0.000 -4.557) 5.908 11.359 ( 13.259 0.000 10.029) 16.625 11.494 ( -3.734 0.000 -2.997) 4.788 12.244 ( 8.954 0.000 2.593) 9.322 12.956 ( -9.750 0.000 -1.622) 9.884 12.985 ( -7.308 0.000 9.779) 12.208 14.050 ( 8.728 0.000 -49.538) 50.301 14.152 ( -9.229 0.000 44.709) 45.652 14.860 ( 4.930 0.000 28.923) 29.340 15.117 ( 15.747 0.000 -36.763) 39.993 18.885 ( 2.807 0.000 21.323) 21.507 18.974 ( 6.199 0.000 -15.284) 16.493 19.447 ( -14.167 0.000 8.046) 16.292 19.988 ( -14.966 0.000 -5.130) 15.821 ======================= Grid point 566 (281/312) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.696 ( 4.903 0.000 4.054) 6.362 3.937 ( -3.785 0.000 -14.040) 14.541 4.446 ( 33.619 0.000 1.302) 33.644 5.239 ( 2.065 0.000 11.448) 11.633 5.422 ( 14.574 0.000 30.159) 33.496 5.728 ( 8.189 0.000 -11.787) 14.352 6.206 ( -1.163 0.000 -15.385) 15.429 6.224 ( -15.705 0.000 -5.098) 16.512 6.591 ( -4.212 0.000 11.754) 12.485 6.709 ( -9.170 0.000 -13.496) 16.316 7.208 ( 5.717 0.000 -14.741) 15.810 7.382 ( -5.436 0.000 13.008) 14.099 8.473 ( 12.744 0.000 -2.326) 12.955 8.731 ( -8.179 0.000 6.880) 10.688 8.987 ( 1.818 0.000 -20.945) 21.024 9.137 ( 9.534 0.000 18.381) 20.707 9.530 ( -13.563 0.000 4.994) 14.453 9.827 ( -7.982 0.000 6.154) 10.079 9.836 ( 2.736 0.000 -30.406) 30.529 10.005 ( -13.549 0.000 16.453) 21.314 10.798 ( 1.708 0.000 -6.943) 7.150 10.908 ( -3.873 0.000 10.589) 11.275 11.144 ( 4.917 0.000 -4.247) 6.497 11.373 ( -6.728 0.000 -1.236) 6.840 11.752 ( 21.079 0.000 6.151) 21.958 12.349 ( -0.832 0.000 -1.180) 1.444 12.781 ( -5.473 0.000 -1.609) 5.705 12.880 ( -6.516 0.000 7.078) 9.621 14.059 ( 9.488 0.000 -49.101) 50.009 14.119 ( -9.993 0.000 46.347) 47.412 15.054 ( 3.841 0.000 32.355) 32.582 15.234 ( 8.856 0.000 -37.405) 38.439 19.039 ( 5.763 0.000 -14.256) 15.377 19.048 ( 6.497 0.000 19.308) 20.372 19.251 ( -9.172 0.000 13.138) 16.023 19.656 ( -15.472 0.000 -12.475) 19.875 ======================= Grid point 567 (282/312) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.812 ( -4.645 0.000 -9.651) 10.711 3.812 ( 4.645 0.000 9.651) 10.711 5.043 ( -24.005 0.000 -2.168) 24.102 5.043 ( 24.005 0.000 2.168) 24.102 5.707 ( -4.593 0.000 -20.116) 20.634 5.707 ( 4.593 0.000 20.116) 20.634 6.105 ( -2.696 0.000 -4.168) 4.964 6.105 ( 2.696 0.000 4.168) 4.964 6.581 ( 0.519 0.000 -15.164) 15.173 6.581 ( -0.519 0.000 15.164) 15.173 7.288 ( 7.787 0.000 -15.111) 17.000 7.288 ( -7.787 0.000 15.111) 17.000 8.627 ( 6.004 0.000 -8.064) 10.053 8.627 ( -6.004 0.000 8.064) 10.053 9.108 ( 13.874 0.000 -11.264) 17.871 9.108 ( -13.874 0.000 11.264) 17.871 9.593 ( -14.380 0.000 -3.158) 14.723 9.593 ( 14.380 0.000 3.158) 14.723 9.854 ( 8.822 0.000 -24.895) 26.412 9.854 ( -8.822 0.000 24.895) 26.412 10.845 ( 5.715 0.000 -11.783) 13.096 10.845 ( -5.715 0.000 11.783) 13.096 11.242 ( -6.398 0.000 1.899) 6.674 11.242 ( 6.398 0.000 -1.899) 6.674 12.150 ( -16.863 0.000 -3.564) 17.235 12.150 ( 16.863 0.000 3.564) 17.235 12.784 ( 4.814 0.000 -3.752) 6.103 12.784 ( -4.814 0.000 3.752) 6.103 14.084 ( 9.978 0.000 -47.946) 48.973 14.084 ( -9.978 0.000 47.946) 48.973 15.203 ( 1.038 0.000 -35.641) 35.656 15.203 ( -1.038 0.000 35.641) 35.656 19.106 ( 5.741 0.000 -12.551) 13.802 19.106 ( -5.741 0.000 12.551) 13.802 19.335 ( -11.264 0.000 -18.790) 21.908 19.335 ( 11.264 0.000 18.790) 21.908 ======================= Grid point 573 (283/312) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.585 ( -6.102 5.221 -18.147) 19.845 3.585 ( 6.102 5.221 18.147) 19.845 3.838 ( -13.957 14.351 -31.823) 37.596 3.838 ( 13.957 14.351 31.823) 37.596 4.960 ( -5.827 8.865 -1.890) 10.775 4.960 ( 5.827 8.865 1.890) 10.775 6.211 ( -1.819 -3.133 -25.363) 25.621 6.211 ( 1.819 -3.133 25.363) 25.621 7.003 ( 1.243 1.010 -10.520) 10.641 7.003 ( -1.243 1.010 10.520) 10.641 7.419 ( -2.170 -7.747 -5.881) 9.966 7.419 ( 2.170 -7.747 5.881) 9.966 8.303 ( -9.842 -6.232 -11.422) 16.314 8.303 ( 9.842 -6.232 11.422) 16.314 9.348 ( 9.576 0.842 -19.130) 21.410 9.348 ( -9.576 0.842 19.130) 21.410 9.978 ( -3.955 -11.420 -15.881) 19.957 9.978 ( 3.955 -11.420 15.881) 19.957 10.499 ( -2.490 -2.919 -19.541) 19.914 10.499 ( 2.490 -2.919 19.541) 19.914 10.696 ( -5.910 1.975 -17.777) 18.837 10.696 ( 5.910 1.975 17.777) 18.837 11.385 ( -6.886 26.548 -8.953) 28.850 11.385 ( 6.886 26.548 8.953) 28.850 11.724 ( -2.279 12.378 -16.357) 20.638 11.724 ( 2.279 12.378 16.357) 20.638 13.275 ( 2.181 2.130 -7.023) 7.656 13.275 ( -2.181 2.130 7.023) 7.656 14.170 ( 6.037 4.067 -41.371) 42.007 14.170 ( -6.037 4.067 41.371) 42.007 14.572 ( 7.314 -0.495 -26.594) 27.586 14.572 ( -7.314 -0.495 26.594) 27.586 18.723 ( 5.210 -5.948 -18.919) 20.504 18.723 ( -5.210 -5.948 18.919) 20.504 20.130 ( -5.680 -12.772 -6.774) 15.533 20.130 ( 5.680 -12.772 6.774) 15.533 ======================= Grid point 575 (284/312) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( -1.691 7.094 -26.428) 27.416 3.604 ( -1.046 11.941 -17.508) 21.218 3.803 ( 10.220 5.953 12.555) 17.248 4.281 ( 17.199 8.357 30.386) 35.902 4.870 ( -2.704 10.594 3.273) 11.413 5.103 ( 8.645 7.284 0.415) 11.312 6.132 ( 2.717 -4.896 -26.706) 27.286 6.364 ( 5.118 -1.183 20.080) 20.756 6.973 ( 0.813 -0.374 -1.321) 1.596 7.078 ( 3.659 2.007 -0.597) 4.216 7.256 ( -10.389 -11.481 0.101) 15.484 7.454 ( -2.424 -2.646 2.257) 4.239 8.121 ( -4.696 -1.764 -6.875) 8.510 8.532 ( 8.241 -8.254 13.548) 17.877 9.219 ( -9.975 -2.245 13.174) 16.676 9.443 ( 5.947 -2.064 -27.715) 28.421 9.722 ( -11.998 -9.163 3.503) 15.498 10.176 ( 6.845 -6.982 -1.034) 9.832 10.301 ( -9.909 -9.125 -16.508) 21.307 10.474 ( -6.499 -3.198 -4.049) 8.298 10.531 ( -5.383 1.581 15.028) 16.042 10.933 ( 9.997 9.744 6.376) 15.347 11.233 ( -5.130 19.944 -9.896) 22.847 11.544 ( 3.685 33.695 11.157) 35.685 11.678 ( 4.096 12.712 -8.121) 15.631 11.884 ( 7.022 9.390 12.256) 16.961 13.224 ( -5.513 2.651 8.649) 10.594 13.255 ( -2.320 2.231 -4.620) 5.631 14.143 ( 4.726 5.311 -34.116) 34.849 14.202 ( -3.926 4.276 30.843) 31.385 14.561 ( -2.186 -1.640 23.270) 23.430 14.678 ( 12.655 -1.995 -27.838) 30.645 18.702 ( -3.622 -6.235 19.989) 21.250 18.771 ( 6.027 -6.313 -17.741) 19.772 19.914 ( -13.352 -11.415 -1.948) 17.674 20.204 ( -1.513 -13.650 4.949) 14.598 ======================= Grid point 576 (285/312) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 14.598 6.265 -21.642) 26.846 3.600 ( 4.286 8.802 -8.160) 12.745 4.027 ( 8.390 4.285 0.457) 9.432 4.617 ( 8.585 -0.526 22.943) 24.502 4.951 ( 7.784 13.265 20.144) 25.344 5.307 ( 13.049 5.302 -3.924) 14.621 6.127 ( 5.617 -5.936 -25.663) 26.933 6.497 ( 1.902 -1.496 11.368) 11.623 6.946 ( -11.420 -5.460 -1.509) 12.747 7.070 ( 3.810 -2.520 -8.095) 9.295 7.135 ( -4.419 -7.025 1.370) 8.411 7.395 ( -1.637 7.139 7.301) 10.342 8.096 ( 3.643 1.778 -1.996) 4.519 8.698 ( 4.383 -6.953 15.465) 17.514 9.029 ( -12.657 -7.863 6.316) 16.184 9.275 ( -10.399 -10.901 -26.611) 30.579 9.620 ( -6.061 -9.418 8.453) 14.032 10.019 ( -10.002 -9.908 -19.945) 24.413 10.189 ( -1.238 3.325 -4.832) 5.995 10.438 ( -8.112 5.153 14.804) 17.650 10.585 ( 14.936 -3.954 3.252) 15.789 11.065 ( -0.052 18.780 -3.756) 19.152 11.164 ( 3.194 11.954 -2.912) 12.712 11.584 ( -1.932 28.986 11.054) 31.082 11.752 ( 2.476 21.586 -4.379) 22.164 12.078 ( 9.661 4.995 7.203) 13.044 13.130 ( -7.163 3.574 9.259) 12.239 13.156 ( -6.442 2.927 -1.844) 7.312 14.123 ( 5.838 6.490 -37.608) 38.608 14.218 ( -5.795 5.090 33.376) 34.255 14.645 ( 2.259 -3.963 25.124) 25.535 14.866 ( 16.812 -3.935 -32.808) 37.074 18.723 ( -1.245 -7.128 21.002) 22.214 18.832 ( 6.140 -7.160 -16.569) 19.066 19.628 ( -15.575 -10.091 2.856) 18.776 20.104 ( -9.579 -13.710 1.061) 16.759 ======================= Grid point 577 (286/312) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( 6.098 4.991 -6.769) 10.388 3.855 ( 27.040 4.371 -5.971) 28.035 4.074 ( -0.966 3.508 -10.276) 10.901 4.907 ( 14.114 -3.517 24.374) 28.384 5.210 ( 9.130 9.436 24.022) 27.376 5.565 ( 14.545 3.755 -7.111) 16.620 6.155 ( 4.845 -6.508 -21.975) 23.425 6.466 ( -9.646 -6.553 -1.780) 11.796 6.680 ( -11.059 -1.985 5.678) 12.589 6.929 ( -13.201 -5.926 -5.490) 15.476 7.152 ( 5.831 -0.345 -13.027) 14.276 7.462 ( 1.155 8.743 12.802) 15.545 8.235 ( 10.671 1.053 -0.173) 10.724 8.760 ( -8.344 -12.962 2.647) 15.641 8.900 ( 3.168 -0.541 16.793) 17.098 8.980 ( -9.231 -15.707 -17.564) 25.306 9.443 ( -12.234 -19.295 2.197) 22.952 9.772 ( -10.480 -7.981 -7.921) 15.371 10.225 ( 2.167 16.507 -1.965) 16.764 10.330 ( -4.203 10.921 4.359) 12.487 10.868 ( 6.038 5.453 -2.335) 8.464 11.058 ( 7.595 4.364 -2.986) 9.255 11.227 ( 0.769 21.755 4.975) 22.329 11.593 ( 1.441 20.369 6.413) 21.404 11.726 ( -2.656 22.180 -4.045) 22.702 12.280 ( 8.406 4.020 2.482) 9.642 12.989 ( -9.010 3.684 0.393) 9.742 13.034 ( -6.677 5.231 7.940) 11.619 14.115 ( 6.812 6.683 -39.259) 40.402 14.204 ( -7.544 5.389 35.446) 36.638 14.807 ( 4.811 -5.292 28.007) 28.906 15.072 ( 15.396 -4.678 -35.620) 39.086 18.801 ( 2.078 -8.446 21.207) 22.921 18.894 ( 5.747 -8.117 -15.124) 18.101 19.356 ( -13.723 -9.130 7.767) 18.222 19.858 ( -14.435 -13.044 -5.385) 20.187 ======================= Grid point 578 (287/312) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.736 ( 4.865 4.048 1.450) 6.493 3.970 ( -4.496 3.349 -11.079) 12.417 4.449 ( 32.469 0.439 1.426) 32.503 5.238 ( 7.351 0.246 12.307) 14.337 5.441 ( 7.845 0.707 22.414) 23.758 5.764 ( 6.766 2.527 -9.137) 11.647 6.122 ( -5.667 -6.624 -6.435) 10.836 6.185 ( -8.266 -5.662 -10.167) 14.274 6.579 ( -4.965 -0.887 8.751) 10.100 6.664 ( -9.206 -4.259 -11.997) 15.710 7.216 ( 6.343 0.242 -14.871) 16.169 7.441 ( -7.604 4.870 13.721) 16.426 8.463 ( 10.193 -1.627 -3.676) 10.957 8.609 ( -7.048 -14.828 10.355) 19.411 8.761 ( -0.277 -18.149 -18.491) 25.911 9.176 ( 11.606 -2.662 16.562) 20.399 9.203 ( -13.045 -15.982 4.216) 21.056 9.574 ( -6.824 -3.574 -8.846) 11.730 10.168 ( -6.270 16.347 17.546) 24.787 10.313 ( -0.653 21.819 -16.041) 27.089 10.881 ( 3.335 9.150 -6.679) 11.809 11.122 ( -5.589 14.434 3.819) 15.942 11.322 ( 7.348 18.451 3.672) 20.197 11.588 ( -5.501 20.071 -2.294) 20.937 11.816 ( 15.153 6.882 2.371) 16.811 12.358 ( -2.805 0.950 -0.748) 3.054 12.845 ( -3.767 6.850 -0.623) 7.842 12.939 ( -5.739 6.515 6.474) 10.830 14.121 ( 7.591 6.328 -39.539) 40.755 14.173 ( -8.272 5.539 37.240) 38.548 15.001 ( 4.108 -5.469 31.493) 32.228 15.187 ( 8.537 -4.893 -36.291) 37.601 18.946 ( 6.320 -9.658 3.688) 12.117 18.955 ( 4.889 -9.082 1.725) 10.458 19.166 ( -8.897 -8.594 12.548) 17.620 19.537 ( -14.844 -11.971 -12.502) 22.803 ======================= Grid point 579 (288/312) ======================= q-point: ( 0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.845 ( -2.504 3.370 -11.126) 11.892 3.845 ( 2.504 3.370 11.126) 11.892 5.043 ( -24.930 -0.062 -2.874) 25.095 5.043 ( 24.930 -0.062 2.874) 25.095 5.701 ( -8.425 -1.081 -14.777) 17.044 5.701 ( 8.425 -1.081 14.777) 17.044 6.077 ( -1.462 -3.551 -13.547) 14.081 6.077 ( 1.462 -3.551 13.547) 14.081 6.542 ( 2.272 -3.298 -18.669) 19.094 6.542 ( -2.272 -3.298 18.669) 19.094 7.315 ( 9.006 1.819 -16.031) 18.477 7.315 ( -9.006 1.819 16.031) 18.477 8.534 ( 3.838 -11.631 -12.620) 17.586 8.534 ( -3.838 -11.631 12.620) 17.586 8.926 ( 1.360 -16.221 -9.400) 18.797 8.926 ( -1.360 -16.221 9.400) 18.797 9.421 ( -5.862 -0.874 -14.183) 15.372 9.421 ( 5.862 -0.874 14.183) 15.372 10.193 ( -2.292 20.753 -19.476) 28.553 10.193 ( 2.292 20.753 19.476) 28.553 10.988 ( 8.644 13.582 -6.964) 17.541 10.988 ( -8.644 13.582 6.964) 17.541 11.460 ( -6.561 20.069 -0.907) 21.133 11.460 ( 6.561 20.069 0.907) 21.133 12.152 ( -15.940 0.149 -2.079) 16.076 12.152 ( 15.940 0.149 2.079) 16.076 12.857 ( 3.843 7.834 -3.413) 9.370 12.857 ( -3.843 7.834 3.413) 9.370 14.141 ( 9.420 5.870 -47.437) 48.718 14.141 ( -9.420 5.870 47.437) 48.718 15.153 ( 0.738 -5.172 -34.891) 35.280 15.153 ( -0.738 -5.172 34.891) 35.280 19.015 ( 5.181 -9.273 -13.637) 17.286 19.015 ( -5.181 -9.273 13.637) 17.286 19.230 ( -9.782 -10.492 -19.404) 24.131 19.230 ( 9.782 -10.492 19.404) 24.131 ======================= Grid point 585 (289/312) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( -5.885 9.825 -12.337) 16.833 3.737 ( 5.885 9.825 12.337) 16.833 4.177 ( -10.154 19.214 -23.917) 32.316 4.177 ( 10.154 19.214 23.917) 32.316 5.161 ( -3.357 9.945 -1.668) 10.629 5.161 ( 3.357 9.945 1.668) 10.629 6.165 ( -6.343 -0.437 -19.470) 20.482 6.165 ( 6.343 -0.437 19.470) 20.482 6.933 ( -0.964 -10.580 -7.997) 13.297 6.933 ( 0.964 -10.580 7.997) 13.297 7.287 ( -6.994 -3.680 -12.398) 14.703 7.287 ( 6.994 -3.680 12.398) 14.703 8.137 ( -5.855 -9.808 -9.815) 15.061 8.137 ( 5.855 -9.808 9.815) 15.061 9.401 ( 9.776 4.703 -15.773) 19.144 9.401 ( -9.776 4.703 15.773) 19.144 9.770 ( -1.135 -8.654 -11.163) 14.171 9.770 ( 1.135 -8.654 11.163) 14.171 10.453 ( -9.678 -2.960 -11.765) 15.519 10.453 ( 9.678 -2.960 11.765) 15.519 10.774 ( -12.055 6.186 -9.656) 16.638 10.774 ( 12.055 6.186 9.656) 16.638 11.661 ( -6.535 4.843 -9.252) 12.319 11.661 ( 6.535 4.843 9.252) 12.319 12.283 ( 2.944 38.925 -7.808) 39.809 12.283 ( -2.944 38.925 7.808) 39.809 13.341 ( 1.631 4.807 -6.100) 7.936 13.341 ( -1.631 4.807 6.100) 7.936 14.228 ( 6.055 0.071 -30.501) 31.096 14.228 ( -6.055 0.071 30.501) 31.096 14.614 ( 6.663 6.239 -31.584) 32.876 14.614 ( -6.663 6.239 31.584) 32.876 18.562 ( 5.607 -10.101 -21.173) 24.120 18.562 ( -5.607 -10.101 21.173) 24.120 19.787 ( -1.734 -21.600 -9.560) 23.685 19.787 ( 1.734 -21.600 9.560) 23.685 ======================= Grid point 587 (290/312) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -0.955 12.194 -19.397) 22.932 3.847 ( 2.072 11.059 -12.173) 16.577 4.016 ( 1.383 16.600 6.066) 17.728 4.485 ( 10.066 12.012 22.540) 27.453 5.114 ( -0.751 12.483 3.018) 12.864 5.248 ( 5.544 6.117 0.414) 8.266 6.026 ( -0.777 -4.865 -20.688) 21.266 6.369 ( 7.135 2.100 13.468) 15.385 6.891 ( -1.135 -11.559 -4.837) 12.582 6.966 ( -1.116 -12.316 5.515) 13.541 7.088 ( -6.128 -4.496 -12.389) 14.534 7.438 ( 4.202 1.892 8.990) 10.102 8.050 ( -0.838 -5.291 -0.261) 5.363 8.314 ( 7.125 -12.854 13.378) 19.874 9.209 ( -14.166 1.711 5.846) 15.420 9.394 ( -7.675 -3.160 -19.502) 21.195 9.599 ( -4.692 -2.068 10.312) 11.516 9.979 ( 5.605 -9.955 -0.563) 11.438 10.176 ( -8.657 -4.047 -14.679) 17.516 10.487 ( -7.052 4.239 2.366) 8.562 10.620 ( 1.735 4.975 6.970) 8.737 11.117 ( 16.659 8.954 1.304) 18.958 11.529 ( -4.115 9.679 -9.440) 14.133 11.844 ( 8.584 4.456 7.418) 12.188 12.287 ( 0.675 38.921 8.245) 39.791 12.338 ( 3.500 34.993 -5.095) 35.535 13.307 ( -3.810 6.084 7.270) 10.217 13.324 ( -1.886 5.036 -3.815) 6.593 14.228 ( -0.870 0.976 13.462) 13.526 14.290 ( 6.663 2.609 -13.272) 15.078 14.571 ( -4.648 4.769 16.240) 17.553 14.662 ( 6.873 2.397 -21.957) 23.132 18.532 ( -4.913 -10.805 21.950) 24.953 18.601 ( 5.473 -10.638 -19.786) 23.122 19.606 ( -11.583 -19.426 -1.231) 22.650 19.836 ( -1.943 -23.132 3.175) 23.430 ======================= Grid point 588 (291/312) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.627 ( 11.014 11.761 -20.459) 26.042 3.822 ( 2.051 13.194 -10.212) 16.810 4.148 ( 5.321 8.134 6.578) 11.736 4.670 ( 3.695 5.444 17.709) 18.892 5.187 ( 4.746 9.289 13.759) 17.266 5.397 ( 10.694 3.435 -3.626) 11.803 5.986 ( 3.180 -7.688 -18.949) 20.695 6.459 ( -1.399 -3.213 1.260) 3.724 6.756 ( -9.691 -11.887 0.059) 15.337 6.954 ( -5.727 -10.960 1.382) 12.443 7.041 ( 6.337 -2.435 -10.877) 12.822 7.547 ( 4.270 7.580 10.265) 13.456 8.089 ( 2.833 -3.969 6.648) 8.245 8.473 ( 4.449 -14.959 10.227) 18.659 8.903 ( -17.039 -3.704 2.367) 17.596 9.091 ( -14.970 -6.382 -15.031) 22.153 9.472 ( -14.096 -4.648 13.644) 20.161 9.830 ( -7.304 -5.071 -12.370) 15.234 10.283 ( 13.689 3.843 -3.619) 14.672 10.545 ( 10.228 3.801 0.329) 10.916 10.656 ( 0.879 11.385 10.540) 15.540 11.360 ( 2.406 8.504 -6.612) 11.037 11.459 ( 5.839 18.834 -6.092) 20.638 11.994 ( 3.097 8.962 6.500) 11.496 12.334 ( -0.851 25.113 -4.534) 25.533 12.368 ( 3.321 36.879 5.394) 37.419 13.233 ( -6.106 6.591 2.674) 9.374 13.264 ( -3.612 9.300 4.909) 11.119 14.270 ( 0.589 5.765 9.600) 11.213 14.361 ( 3.737 8.915 -9.640) 13.652 14.566 ( -1.766 -1.956 21.406) 21.567 14.761 ( 12.931 -5.905 -30.205) 33.383 18.527 ( -3.139 -12.562 22.269) 25.760 18.638 ( 4.928 -12.207 -17.927) 22.242 19.354 ( -13.990 -17.389 2.579) 22.467 19.733 ( -8.969 -23.439 -0.219) 25.098 ======================= Grid point 589 (292/312) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.788 ( 6.758 9.835 -15.118) 19.260 3.974 ( 19.668 7.597 -0.371) 21.087 4.178 ( -2.531 7.136 -4.782) 8.955 4.877 ( 12.680 -0.038 18.917) 22.773 5.338 ( 4.713 2.674 15.671) 16.581 5.616 ( 12.137 1.033 -6.012) 13.584 6.000 ( 3.631 -8.562 -14.758) 17.444 6.298 ( -13.547 -9.692 -5.935) 17.683 6.623 ( -4.541 -4.407 2.764) 6.906 6.781 ( -10.874 -8.860 -2.966) 14.336 7.119 ( 4.281 -4.428 -8.857) 10.788 7.626 ( -2.434 6.565 12.556) 14.376 8.182 ( 3.912 -9.687 8.508) 13.473 8.440 ( -8.333 -19.345 -10.911) 23.722 8.596 ( -14.445 -14.253 -4.273) 20.738 8.937 ( 2.568 1.485 8.924) 9.404 9.249 ( -9.090 -0.355 11.351) 14.547 9.705 ( -3.130 3.944 -5.561) 7.501 10.541 ( 8.082 9.066 -1.632) 12.254 10.603 ( 2.424 20.002 4.249) 20.592 10.926 ( 18.087 3.004 2.570) 18.514 11.259 ( -3.992 13.382 -7.364) 15.787 11.626 ( 8.662 18.776 -5.265) 21.337 11.999 ( -3.574 16.206 5.686) 17.543 12.236 ( -5.974 24.644 -6.778) 26.248 12.462 ( 2.326 19.316 3.069) 19.696 13.115 ( -5.888 9.810 2.274) 11.665 13.213 ( -3.822 14.022 7.173) 16.208 14.296 ( -0.065 10.732 2.655) 11.056 14.364 ( -0.495 11.148 -4.059) 11.874 14.665 ( 3.572 -8.648 25.538) 27.198 14.932 ( 14.262 -9.732 -33.000) 37.244 18.568 ( -0.041 -14.985 21.487) 26.196 18.671 ( 4.402 -14.162 -15.216) 21.248 19.106 ( -12.573 -15.975 6.573) 21.365 19.503 ( -13.149 -22.525 -5.825) 26.724 ======================= Grid point 590 (293/312) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( 4.439 7.906 -4.080) 9.943 4.067 ( -5.962 6.476 -4.401) 9.841 4.472 ( 29.121 2.140 0.667) 29.207 5.247 ( 16.592 -0.064 12.063) 20.514 5.411 ( -3.568 -3.558 8.041) 9.489 5.759 ( 3.158 -4.710 -5.086) 7.617 6.004 ( -10.834 -10.068 -2.328) 14.972 6.014 ( 0.767 -4.364 -7.331) 8.566 6.544 ( -7.038 -3.701 9.760) 12.590 6.550 ( -7.941 -7.352 -13.035) 16.941 7.173 ( 6.023 -6.408 -11.723) 14.655 7.509 ( -12.741 0.002 13.388) 18.481 8.212 ( -6.486 -21.254 16.154) 27.473 8.238 ( -4.365 -22.874 -20.707) 31.162 8.502 ( 7.689 -3.135 -3.543) 9.028 8.893 ( -9.225 -9.481 3.927) 13.799 9.360 ( 10.560 13.348 16.519) 23.719 9.652 ( -0.993 11.684 -6.275) 13.300 10.530 ( -2.868 18.354 12.037) 22.136 10.707 ( 0.593 18.583 -13.126) 22.759 11.135 ( 6.816 16.081 -1.508) 17.531 11.330 ( 7.826 7.980 -1.718) 11.309 11.761 ( 7.138 22.498 3.466) 23.856 11.968 ( 1.783 13.438 -1.162) 13.605 12.084 ( -6.857 21.169 -4.457) 22.693 12.408 ( -9.018 6.395 0.196) 11.057 13.064 ( 0.237 16.001 1.406) 16.065 13.162 ( -3.666 16.996 5.242) 18.159 14.298 ( 0.088 11.265 0.253) 11.268 14.333 ( -1.350 10.902 -1.735) 11.122 14.846 ( 4.524 -10.220 29.159) 31.227 15.041 ( 7.859 -10.157 -33.351) 35.739 18.675 ( 4.045 -17.601 16.772) 24.647 18.709 ( 4.087 -15.783 -10.423) 19.351 18.929 ( -8.165 -15.235 10.572) 20.262 19.210 ( -13.181 -20.750 -12.267) 27.473 ======================= Grid point 591 (294/312) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.943 ( 0.838 6.670 -13.219) 14.830 3.943 ( -0.838 6.670 13.219) 14.830 5.037 ( -25.697 -0.634 -4.125) 26.033 5.037 ( 25.697 -0.634 4.125) 26.033 5.653 ( -12.665 -4.003 -7.274) 15.144 5.653 ( 12.665 -4.003 7.274) 15.144 5.955 ( -1.452 -8.170 -15.980) 18.006 5.955 ( 1.452 -8.170 15.980) 18.006 6.460 ( 4.304 -5.548 -26.172) 27.098 6.460 ( -4.304 -5.548 26.172) 27.098 7.302 ( 11.841 -5.080 -13.978) 19.011 7.302 ( -11.841 -5.080 13.978) 19.011 8.162 ( 3.183 -21.098 -18.353) 28.144 8.162 ( -3.183 -21.098 18.353) 28.144 8.700 ( -2.028 -7.181 -2.172) 7.772 8.700 ( 2.028 -7.181 2.172) 7.772 9.574 ( -4.289 14.361 -12.613) 19.589 9.574 ( 4.289 14.361 12.613) 19.589 10.588 ( -4.021 19.527 -14.364) 24.572 10.588 ( 4.021 19.527 14.364) 24.572 11.303 ( -7.075 17.013 -1.027) 18.454 11.303 ( 7.075 17.013 1.027) 18.454 11.920 ( -6.100 24.844 -5.496) 26.166 11.920 ( 6.100 24.844 5.496) 26.166 12.159 ( -14.400 1.090 1.447) 14.513 12.159 ( 14.400 1.090 -1.447) 14.513 13.106 ( 2.686 17.990 -1.980) 18.297 13.106 ( -2.686 17.990 1.980) 18.297 14.308 ( 7.944 10.885 -45.514) 47.467 14.308 ( -7.944 10.885 45.514) 47.467 15.002 ( 0.023 -10.220 -32.336) 33.913 15.002 ( -0.023 -10.220 32.336) 33.913 18.753 ( 3.939 -17.254 -16.556) 24.235 18.753 ( -3.939 -17.254 16.556) 24.235 18.947 ( -5.429 -17.765 -20.467) 27.640 18.947 ( 5.429 -17.765 20.467) 27.640 ======================= Grid point 597 (295/312) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.941 ( -4.267 10.372 -5.073) 12.309 3.941 ( 4.267 10.372 5.073) 12.309 4.558 ( -5.464 19.456 -15.942) 25.740 4.558 ( 5.464 19.456 15.942) 25.740 5.288 ( 1.672 2.720 -6.266) 7.033 5.288 ( -1.672 2.720 6.266) 7.033 6.227 ( -10.417 6.828 -14.500) 19.115 6.227 ( 10.417 6.828 14.500) 19.115 6.628 ( -1.900 -18.424 -4.868) 19.150 6.628 ( 1.900 -18.424 4.868) 19.150 7.224 ( -10.452 -5.187 -16.852) 20.497 7.224 ( 10.452 -5.187 16.852) 20.497 7.972 ( -2.207 -5.936 -4.593) 7.823 7.972 ( 2.207 -5.936 4.593) 7.823 9.502 ( 1.391 3.622 -4.884) 6.238 9.502 ( -1.391 3.622 4.884) 6.238 9.679 ( 10.937 0.977 -15.290) 18.824 9.679 ( -10.937 0.977 15.290) 18.824 10.368 ( -15.625 -5.808 -4.832) 17.356 10.368 ( 15.625 -5.808 4.832) 17.356 10.928 ( -14.548 9.299 -4.408) 17.819 10.928 ( 14.548 9.299 4.408) 17.819 11.681 ( -5.870 -2.356 -7.557) 9.855 11.681 ( 5.870 -2.356 7.557) 9.855 13.021 ( 0.871 33.048 -7.262) 33.847 13.021 ( -0.871 33.048 7.262) 33.847 13.476 ( 1.389 9.946 -7.436) 12.495 13.476 ( -1.389 9.946 7.436) 12.495 14.177 ( 4.755 -3.544 -21.461) 22.265 14.177 ( -4.755 -3.544 21.461) 22.265 14.796 ( 7.602 10.310 -35.218) 37.475 14.796 ( -7.602 10.310 35.218) 37.475 18.357 ( 6.172 -9.963 -23.456) 26.221 18.357 ( -6.172 -9.963 23.456) 26.221 19.329 ( 1.026 -24.268 -12.550) 27.341 19.329 ( -1.026 -24.268 12.550) 27.341 ======================= Grid point 599 (296/312) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( -0.657 12.935 -9.958) 16.337 4.042 ( 5.310 9.145 -6.319) 12.318 4.396 ( -5.725 21.038 -1.845) 21.881 4.730 ( 4.423 12.699 14.217) 19.569 5.270 ( -1.126 2.426 2.515) 3.671 5.333 ( 4.885 2.877 -6.005) 8.258 5.990 ( -7.607 2.123 -12.097) 14.447 6.407 ( 1.278 -1.619 2.236) 3.042 6.587 ( -1.379 -15.218 -1.695) 15.374 6.702 ( 3.301 -14.080 8.947) 17.006 6.988 ( -5.285 -5.892 -15.682) 17.567 7.457 ( 8.093 -2.828 10.248) 13.361 7.939 ( -0.733 -4.734 8.305) 9.587 8.105 ( 5.933 -6.853 12.074) 15.098 9.268 ( -15.840 2.609 -5.277) 16.899 9.331 ( -15.980 -2.113 -1.722) 16.210 9.604 ( -6.824 0.211 14.728) 16.233 9.903 ( 8.174 4.527 -13.768) 16.639 10.100 ( -3.087 -4.384 -6.162) 8.168 10.573 ( 0.278 2.018 3.679) 4.205 10.741 ( 4.303 9.127 2.724) 10.452 11.267 ( 15.096 5.979 0.220) 16.238 11.632 ( 4.367 1.630 -5.875) 7.500 11.886 ( 10.425 -0.150 4.721) 11.445 12.954 ( -4.190 28.640 -2.701) 29.071 13.070 ( 2.044 33.653 -0.316) 33.716 13.462 ( -1.751 10.774 1.495) 11.018 13.487 ( 0.873 12.759 2.859) 13.104 14.184 ( -1.215 -3.372 18.370) 18.716 14.245 ( 8.869 -5.572 -16.457) 19.508 14.740 ( -8.379 10.024 26.721) 29.744 14.803 ( 4.456 10.145 -31.567) 33.455 18.309 ( -6.903 -10.975 24.184) 27.440 18.384 ( 4.501 -10.695 -21.904) 24.787 19.193 ( -9.261 -21.910 -1.064) 23.811 19.345 ( -2.770 -26.063 1.310) 26.242 ======================= Grid point 600 (297/312) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( 7.698 13.607 -12.475) 20.001 4.083 ( 2.779 12.619 -15.146) 19.909 4.348 ( -0.917 12.670 8.984) 15.559 4.803 ( -0.550 7.273 11.076) 13.261 5.270 ( 0.070 0.094 5.867) 5.868 5.450 ( 9.789 1.206 -10.850) 14.663 5.866 ( -1.929 -3.626 -7.141) 8.238 6.330 ( -7.103 -9.576 -3.880) 12.538 6.540 ( -1.914 -10.409 -3.901) 11.279 6.711 ( -4.032 -13.498 2.266) 14.268 6.958 ( 1.411 -5.472 -1.813) 5.935 7.607 ( 3.748 -5.573 7.434) 10.018 7.968 ( -1.076 -4.027 12.468) 13.146 8.215 ( -0.751 -9.127 10.148) 13.669 8.879 ( -21.961 -0.327 -4.635) 22.447 9.023 ( -10.445 -1.962 -5.083) 11.780 9.440 ( -11.736 2.537 15.592) 19.679 9.891 ( 0.647 9.556 -8.008) 12.484 10.287 ( 16.974 -2.228 -0.515) 17.127 10.643 ( 7.661 4.248 -0.606) 8.781 10.925 ( 10.703 15.823 4.556) 19.639 11.482 ( 7.043 3.859 -4.144) 9.037 11.753 ( 8.849 10.911 -5.880) 15.229 12.077 ( 7.351 1.342 2.915) 8.021 12.828 ( -7.338 23.449 -5.381) 25.153 13.074 ( -2.416 29.599 -0.043) 29.698 13.425 ( -2.241 15.886 2.938) 16.310 13.532 ( 1.767 17.609 6.531) 18.864 14.256 ( 2.033 -4.900 20.245) 20.929 14.409 ( 12.970 -6.813 -15.323) 21.200 14.665 ( -7.813 9.220 24.050) 26.916 14.759 ( 2.990 8.375 -35.037) 36.148 18.263 ( -6.055 -13.427 23.985) 28.146 18.384 ( 2.810 -12.946 -19.286) 23.397 18.982 ( -11.896 -19.742 1.179) 23.079 19.234 ( -8.481 -26.644 -1.592) 28.006 ======================= Grid point 601 (298/312) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.016 ( 6.373 13.124 -20.652) 25.286 4.140 ( 10.697 9.229 5.732) 15.246 4.345 ( -2.039 9.662 -2.997) 10.320 4.884 ( 7.809 -0.029 10.938) 13.440 5.315 ( 1.575 -3.939 8.762) 9.735 5.592 ( 7.838 -4.526 -15.979) 18.364 5.854 ( 1.471 -5.236 -2.330) 5.917 6.136 ( -10.805 -5.793 -2.317) 12.477 6.498 ( -1.674 -8.053 -3.471) 8.927 6.608 ( -7.841 -8.524 1.522) 11.682 6.929 ( -3.452 -14.642 1.268) 15.097 7.592 ( -9.600 -15.497 6.557) 19.373 7.953 ( -4.123 -6.005 8.981) 11.563 8.102 ( -8.920 -9.706 -4.265) 13.855 8.529 ( -9.554 1.464 -4.145) 10.516 8.890 ( -6.822 -5.158 4.081) 9.476 9.413 ( 5.560 14.585 16.180) 22.482 9.915 ( 3.360 15.216 -2.913) 15.852 10.622 ( 13.158 -0.880 3.244) 13.581 10.831 ( 12.404 3.458 0.074) 12.877 11.169 ( 13.068 20.619 -0.794) 24.424 11.515 ( -0.266 12.397 -2.920) 12.739 11.913 ( 9.327 9.447 -7.966) 15.482 12.174 ( 2.010 3.733 1.208) 4.409 12.641 ( -9.700 20.935 -5.676) 23.761 12.956 ( -9.676 22.409 -0.435) 24.412 13.421 ( 0.738 23.108 4.758) 23.605 13.580 ( 0.372 22.024 6.712) 23.027 14.399 ( 5.207 -6.043 20.615) 22.105 14.556 ( -3.010 4.330 23.957) 24.530 14.635 ( 4.280 9.561 -21.107) 23.564 14.717 ( 7.102 -7.274 -30.856) 32.488 18.248 ( -3.309 -16.729 22.443) 28.187 18.370 ( 1.989 -15.899 -15.262) 22.129 18.763 ( -11.001 -18.287 3.624) 21.646 19.021 ( -11.605 -25.775 -6.065) 28.910 ======================= Grid point 602 (299/312) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.036 ( 3.131 10.566 -8.971) 14.210 4.213 ( -6.825 8.124 2.360) 10.869 4.538 ( 23.680 4.767 -1.904) 24.230 5.178 ( 16.371 -7.488 5.804) 18.914 5.347 ( -2.753 -3.298 5.056) 6.635 5.611 ( -0.800 -9.030 -9.289) 12.979 5.774 ( -7.682 -9.281 -3.059) 12.431 6.029 ( -0.913 3.003 -0.814) 3.243 6.387 ( -13.797 -8.947 4.850) 17.145 6.430 ( -4.664 -7.045 -1.067) 8.517 6.918 ( 4.358 -18.980 -5.438) 20.219 7.319 ( -16.834 -20.378 4.607) 26.831 7.899 ( -1.972 -6.310 0.368) 6.621 7.963 ( -4.887 -6.143 0.390) 7.859 8.479 ( 3.812 -0.181 -2.896) 4.790 8.745 ( -8.927 -6.431 4.835) 12.018 9.672 ( 12.325 17.656 14.422) 25.916 9.970 ( 2.150 18.567 -4.372) 19.196 10.791 ( 4.929 7.515 6.575) 11.135 10.990 ( 0.995 8.275 -6.446) 10.536 11.425 ( 14.048 12.357 -2.279) 18.847 11.561 ( 5.066 17.804 3.279) 18.799 12.046 ( 7.581 6.037 -8.377) 12.809 12.189 ( -0.120 5.669 1.450) 5.853 12.441 ( -7.851 22.220 -3.459) 23.819 12.712 ( -14.702 20.560 -0.328) 25.278 13.476 ( 2.981 25.635 3.476) 26.040 13.585 ( -1.704 24.744 3.823) 25.096 14.528 ( -4.616 11.244 30.976) 33.276 14.563 ( 2.741 4.979 -12.420) 13.658 14.632 ( 4.371 -4.789 3.102) 7.188 14.797 ( 6.997 -14.231 -26.792) 31.133 18.294 ( 0.753 -20.236 18.974) 27.750 18.366 ( 2.303 -18.578 -11.165) 21.796 18.600 ( -7.152 -17.665 6.624) 20.176 18.767 ( -10.767 -23.487 -11.131) 28.133 ======================= Grid point 603 (300/312) ======================= q-point: ( 0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 2.732 8.752 -13.312) 16.164 4.097 ( -2.732 8.752 13.312) 16.164 5.017 ( -22.383 -1.314 -4.194) 22.811 5.017 ( 22.383 -1.314 4.194) 22.811 5.527 ( -4.352 -9.299 -11.451) 15.380 5.527 ( 4.352 -9.299 11.451) 15.380 5.821 ( -13.182 -4.254 -5.984) 15.089 5.821 ( 13.182 -4.254 5.984) 15.089 6.326 ( 4.177 -7.291 -27.137) 28.408 6.326 ( -4.177 -7.291 27.137) 28.408 7.057 ( 6.525 -19.109 -9.687) 22.396 7.057 ( -6.525 -19.109 9.687) 22.396 7.898 ( 2.614 -5.501 -13.274) 14.605 7.898 ( -2.614 -5.501 13.274) 14.605 8.593 ( 6.714 -4.304 -3.576) 8.740 8.593 ( -6.714 -4.304 3.576) 8.740 9.908 ( -6.079 18.320 -10.396) 21.924 9.908 ( 6.079 18.320 10.396) 21.924 10.906 ( -4.143 11.536 -8.570) 14.956 10.906 ( 4.143 11.536 8.570) 14.956 11.609 ( 2.539 14.009 -4.983) 15.084 11.609 ( -2.539 14.009 4.983) 15.084 12.156 ( 3.140 1.411 -5.119) 6.169 12.156 ( -3.140 1.411 5.119) 6.169 12.441 ( -2.001 25.596 -8.273) 26.974 12.441 ( 2.001 25.596 8.273) 26.974 13.543 ( -2.386 25.721 -0.589) 25.838 13.543 ( 2.386 25.721 0.589) 25.838 14.538 ( 6.140 11.241 -41.316) 43.256 14.538 ( -6.140 11.241 41.316) 43.256 14.765 ( -0.805 -13.181 -25.746) 28.935 14.765 ( 0.805 -13.181 25.746) 28.935 18.367 ( 1.926 -21.302 -17.757) 27.799 18.367 ( -1.926 -21.302 17.757) 27.799 18.575 ( -0.670 -19.321 -18.402) 26.690 18.575 ( 0.670 -19.321 18.402) 26.690 ======================= Grid point 609 (301/312) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( -0.007 6.494 -2.141) 6.838 4.112 ( 0.007 6.494 2.141) 6.838 4.914 ( 0.393 16.202 -8.174) 18.151 4.914 ( -0.393 16.202 8.174) 18.151 5.292 ( 2.346 -1.591 -8.807) 9.252 5.292 ( -2.346 -1.591 8.807) 9.252 6.272 ( -1.419 -15.008 -4.084) 15.619 6.272 ( 1.419 -15.008 4.084) 15.619 6.408 ( -11.504 9.092 -10.036) 17.769 6.408 ( 11.504 9.092 10.036) 17.769 7.062 ( -10.430 -10.301 -16.192) 21.842 7.062 ( 10.430 -10.301 16.192) 21.842 7.913 ( 3.410 -0.822 -1.373) 3.767 7.913 ( -3.410 -0.822 1.373) 3.767 9.511 ( -3.345 -0.827 -4.815) 5.921 9.511 ( 3.345 -0.827 4.815) 5.921 9.816 ( 9.647 10.504 -17.529) 22.598 9.816 ( -9.647 10.504 17.529) 22.598 10.228 ( -16.765 -8.466 -0.754) 18.796 10.228 ( 16.765 -8.466 0.754) 18.796 11.121 ( -10.367 9.999 -2.195) 14.569 11.121 ( 10.367 9.999 2.195) 14.569 11.584 ( -3.918 -7.020 -5.122) 9.533 11.584 ( 3.918 -7.020 5.122) 9.533 13.435 ( -0.831 11.074 -4.988) 12.174 13.435 ( 0.831 11.074 4.988) 12.174 13.709 ( 1.242 7.401 -8.481) 11.325 13.709 ( -1.242 7.401 8.481) 11.325 14.203 ( 1.654 9.519 -12.840) 16.069 14.203 ( -1.654 9.519 12.840) 16.069 14.942 ( 6.526 3.466 -27.460) 28.437 14.942 ( -6.526 3.466 27.460) 28.437 18.214 ( 5.485 -3.891 -20.683) 21.749 18.214 ( -5.485 -3.891 20.683) 21.749 18.892 ( 2.117 -18.934 -12.742) 22.921 18.892 ( -2.117 -18.934 12.742) 22.921 ======================= Grid point 611 (302/312) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( 0.246 9.316 -1.530) 9.444 4.183 ( 4.967 4.607 -4.543) 8.157 4.798 ( -7.135 19.036 -1.906) 20.418 4.960 ( -0.035 10.292 1.343) 10.379 5.274 ( -1.463 -1.131 3.222) 3.715 5.333 ( 5.238 -2.055 -11.104) 12.448 6.069 ( -11.886 0.969 -15.182) 19.305 6.248 ( -4.925 -6.576 8.021) 11.482 6.299 ( 1.089 -13.328 -5.265) 14.372 6.551 ( -2.624 -5.315 1.687) 6.162 6.910 ( 0.297 0.352 -1.606) 1.671 7.283 ( 5.527 -13.200 11.234) 18.193 7.925 ( 2.046 2.652 10.843) 11.349 8.033 ( 5.850 -1.970 10.056) 11.800 9.261 ( -16.131 -1.029 -4.709) 16.836 9.313 ( -20.890 -2.114 -1.590) 21.057 9.655 ( -7.201 6.471 13.199) 16.369 9.976 ( -5.125 -6.488 -1.630) 8.427 10.123 ( 15.002 13.201 -10.312) 22.486 10.539 ( 9.941 -5.148 -0.768) 11.222 10.966 ( 3.698 12.664 3.640) 13.686 11.320 ( 6.325 -1.660 -0.141) 6.541 11.646 ( 14.587 1.737 -1.709) 14.789 11.837 ( 13.935 -4.620 -1.360) 14.744 13.347 ( -5.163 13.264 -3.852) 14.745 13.463 ( -0.646 9.295 0.730) 9.346 13.721 ( 2.525 6.174 -1.124) 6.764 13.763 ( 4.273 10.084 0.406) 10.959 14.190 ( 0.463 6.794 -2.533) 7.265 14.226 ( -0.272 8.670 9.577) 12.922 14.891 ( -7.592 4.566 24.683) 26.224 14.954 ( 4.489 3.434 -28.962) 29.509 18.152 ( -8.163 -4.033 22.008) 23.817 18.220 ( 1.881 -5.575 -18.325) 19.246 18.801 ( -6.905 -16.729 -1.056) 18.129 18.875 ( -3.447 -20.520 -1.869) 20.892 ======================= Grid point 612 (303/312) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( 5.561 10.867 -1.989) 12.368 4.269 ( 6.008 5.524 -9.649) 12.638 4.640 ( -7.713 16.292 -1.532) 18.090 4.916 ( -4.459 3.712 -0.443) 5.819 5.251 ( -1.765 -1.311 2.512) 3.338 5.405 ( 5.736 -5.621 -15.221) 17.210 5.857 ( -4.471 2.176 -6.928) 8.528 6.178 ( -5.259 -4.830 6.947) 9.962 6.303 ( 2.594 -12.621 -9.598) 16.067 6.465 ( -4.479 -10.751 3.751) 12.235 6.896 ( -5.928 0.771 5.737) 8.285 7.328 ( -4.133 -18.208 6.482) 19.765 7.997 ( -1.207 4.079 12.338) 13.051 8.118 ( -2.566 -2.388 9.846) 10.451 8.872 ( -20.211 0.092 -4.306) 20.665 8.966 ( -11.882 -3.804 -1.757) 12.599 9.591 ( -1.691 11.609 13.554) 17.926 10.005 ( 6.134 -3.321 2.677) 7.471 10.326 ( 11.401 9.786 -4.450) 15.670 10.667 ( 7.011 -2.218 -1.907) 7.597 11.232 ( 17.703 14.318 1.360) 22.809 11.511 ( 12.395 -0.798 -0.499) 12.431 11.899 ( 9.991 4.944 -4.887) 12.172 12.061 ( 9.498 -2.821 -1.603) 10.037 13.215 ( -6.687 16.505 -5.391) 18.606 13.409 ( -5.065 9.142 0.117) 10.452 13.794 ( 4.725 6.668 1.103) 8.246 13.861 ( 4.806 15.367 1.653) 16.185 14.223 ( 2.395 0.978 6.494) 6.991 14.267 ( 3.162 2.549 1.316) 4.270 14.823 ( -7.666 6.041 23.564) 25.505 14.921 ( 2.751 4.496 -30.899) 31.345 18.059 ( -8.795 -5.977 22.265) 24.674 18.168 ( -1.151 -8.569 -14.712) 17.064 18.633 ( -9.498 -14.561 -1.638) 17.462 18.752 ( -7.845 -20.992 -4.416) 22.841 ======================= Grid point 613 (304/312) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.267 ( 7.313 11.394 -11.920) 18.039 4.322 ( 3.360 8.835 1.285) 9.540 4.537 ( -1.631 9.599 -4.783) 10.848 4.843 ( 0.721 -4.589 -0.809) 4.715 5.237 ( -0.742 -2.978 4.878) 5.763 5.425 ( 1.680 -11.134 -14.079) 18.028 5.847 ( 2.363 4.926 -3.148) 6.305 6.087 ( -5.372 -0.026 4.363) 6.921 6.332 ( 1.437 -8.602 -5.155) 10.131 6.418 ( -1.612 -12.382 5.426) 13.614 6.693 ( -16.248 -4.213 5.783) 17.753 7.160 ( -14.332 -23.014 3.059) 27.283 7.944 ( -5.531 1.819 4.760) 7.520 8.016 ( -7.302 -1.652 2.397) 7.861 8.581 ( -8.713 3.631 -1.632) 9.579 8.778 ( -8.990 -5.947 4.044) 11.513 9.734 ( 10.435 17.106 14.508) 24.738 10.157 ( 7.198 4.674 3.771) 9.374 10.591 ( 15.189 1.773 0.939) 15.321 10.839 ( 11.523 -2.682 -2.169) 12.028 11.536 ( 11.744 15.175 -4.427) 19.693 11.723 ( 8.835 7.712 3.084) 12.126 12.012 ( 5.320 2.905 -6.944) 9.217 12.191 ( 4.395 -1.886 -1.032) 4.893 13.058 ( -6.981 20.441 -6.766) 22.635 13.270 ( -8.990 11.314 -0.195) 14.452 13.892 ( 3.682 13.895 5.255) 15.305 13.953 ( 3.759 15.680 4.364) 16.705 14.299 ( 1.214 1.476 16.901) 17.009 14.376 ( 9.545 -11.778 -16.084) 22.103 14.761 ( -6.823 6.977 24.155) 26.051 14.861 ( 2.244 5.922 -31.178) 31.815 17.978 ( -6.797 -9.242 20.860) 23.807 18.090 ( -2.212 -11.924 -9.821) 15.605 18.442 ( -9.100 -13.171 -1.727) 16.102 18.557 ( -9.660 -19.963 -7.323) 23.356 ======================= Grid point 614 (305/312) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.246 ( 0.324 10.298 -10.423) 14.656 4.358 ( -6.177 5.873 4.537) 9.655 4.658 ( 17.401 7.380 -4.042) 19.329 4.999 ( 12.057 -9.899 -0.901) 15.626 5.252 ( 0.123 -5.027 6.834) 8.485 5.390 ( -0.340 -12.085 -12.534) 17.415 5.758 ( -10.476 6.339 4.955) 13.209 6.101 ( 6.252 3.773 -9.225) 11.765 6.189 ( -20.456 -10.961 12.607) 26.411 6.354 ( -7.418 0.522 4.011) 8.449 6.532 ( 5.814 -17.520 -8.357) 20.263 6.876 ( -13.934 -21.791 3.716) 26.131 7.873 ( -1.873 1.078 -0.966) 2.367 7.915 ( -4.058 -0.700 2.532) 4.834 8.492 ( -0.692 1.659 -0.772) 1.956 8.632 ( -7.460 -5.201 4.746) 10.258 10.013 ( 11.956 16.512 12.307) 23.813 10.273 ( 3.037 9.730 -0.307) 10.198 10.855 ( 10.773 1.413 2.977) 11.266 11.029 ( 5.807 -2.674 -3.040) 7.079 11.675 ( 8.192 12.531 -5.191) 15.845 11.873 ( 3.333 10.451 4.485) 11.851 12.085 ( 4.452 0.755 -3.816) 5.912 12.229 ( -0.442 -0.420 -0.611) 0.864 12.926 ( -3.032 23.926 -7.632) 25.296 13.079 ( -10.157 16.017 1.360) 19.015 13.969 ( 2.375 19.896 6.405) 21.036 14.022 ( 1.501 16.302 2.868) 16.621 14.390 ( 2.181 -5.274 15.672) 16.679 14.471 ( 5.878 -14.215 -20.222) 25.407 14.732 ( -4.854 6.923 26.790) 28.093 14.805 ( 2.534 6.100 -29.561) 30.290 17.950 ( -2.576 -13.116 17.347) 21.899 18.028 ( -1.263 -14.785 -6.550) 16.220 18.288 ( -5.970 -12.836 0.283) 14.160 18.354 ( -7.557 -17.194 -9.490) 21.043 ======================= Grid point 615 (306/312) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.262 ( 2.741 7.283 -9.413) 12.213 4.262 ( -2.741 7.283 9.413) 12.213 5.000 ( -13.764 0.005 -3.250) 14.142 5.000 ( 13.764 0.005 3.250) 14.142 5.325 ( -2.167 -9.963 -12.288) 15.967 5.325 ( 2.167 -9.963 12.288) 15.967 5.772 ( -11.283 -1.850 -4.498) 12.287 5.772 ( 11.283 -1.850 4.498) 12.287 6.238 ( 5.171 -0.184 -22.340) 22.932 6.238 ( -5.171 -0.184 22.340) 22.932 6.668 ( 6.982 -18.564 -9.593) 22.032 6.668 ( -6.982 -18.564 9.593) 22.032 7.867 ( 1.703 0.410 -7.764) 7.959 7.867 ( -1.703 0.410 7.764) 7.959 8.527 ( 4.455 -2.373 -2.820) 5.782 8.527 ( -4.455 -2.373 2.820) 5.782 10.232 ( -6.084 13.616 -7.293) 16.601 10.232 ( 6.084 13.616 7.293) 16.601 11.016 ( -4.264 0.748 -3.783) 5.749 11.016 ( 4.264 0.748 3.783) 5.749 11.840 ( 4.864 9.288 -3.333) 11.001 11.840 ( -4.864 9.288 3.333) 11.001 12.170 ( -0.468 0.021 -5.034) 5.056 12.170 ( 0.468 0.021 5.034) 5.056 12.927 ( 3.571 22.423 -10.462) 25.000 12.927 ( -3.571 22.423 10.462) 25.000 14.023 ( -0.462 19.622 -4.083) 20.048 14.023 ( 0.462 19.622 4.083) 20.048 14.467 ( 1.553 -11.118 -21.138) 23.934 14.467 ( -1.553 -11.118 21.138) 23.934 14.756 ( 2.728 5.972 -28.646) 29.389 14.756 ( -2.728 5.972 28.646) 29.389 17.985 ( 0.247 -15.934 -13.114) 20.638 17.985 ( -0.247 -15.934 13.114) 20.638 18.240 ( 0.944 -13.764 -11.454) 17.931 18.240 ( -0.944 -13.764 11.454) 17.931 ======================= Grid point 621 (307/312) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.177 ( -0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 5.114 ( -0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 -0.000) 0.000 5.253 ( -0.000 0.000 0.000) 0.000 6.097 ( -0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.537 ( -0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.922 ( -0.000 0.000 -0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.910 ( -0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 10.001 ( 0.000 -0.000 -0.000) 0.000 10.001 ( -0.000 0.000 0.000) 0.000 10.068 ( -0.000 0.000 -0.000) 0.000 10.068 ( -0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.258 ( 0.000 0.000 0.000) 0.000 11.475 ( -0.000 -0.000 0.000) 0.000 11.475 ( -0.000 0.000 0.000) 0.000 13.552 ( 0.000 0.000 -0.000) 0.000 13.552 ( -0.000 0.000 0.000) 0.000 13.729 ( -0.000 0.000 -0.000) 0.000 13.729 ( 0.000 0.000 0.000) 0.000 14.374 ( 0.000 0.000 -0.000) 0.000 14.374 ( 0.000 0.000 0.000) 0.000 14.952 ( -0.000 0.000 0.000) 0.000 14.952 ( -0.000 0.000 0.000) 0.000 18.192 ( 0.000 -0.000 -0.000) 0.000 18.192 ( -0.000 0.000 0.000) 0.000 18.682 ( -0.000 0.000 0.000) 0.000 18.682 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 625 (308/312) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.201 ( 2.614 -2.880 -0.493) 3.920 4.201 ( 2.614 2.880 -0.493) 3.920 5.056 ( -4.754 -4.544 -4.798) 8.140 5.056 ( -4.754 4.544 -4.798) 8.140 5.272 ( 1.514 -3.530 -2.792) 4.749 5.272 ( 1.514 3.530 -2.792) 4.749 6.051 ( -3.476 -4.903 -6.337) 8.734 6.051 ( -3.476 4.903 -6.337) 8.734 6.389 ( -7.944 -10.080 -3.115) 13.207 6.389 ( -7.944 10.080 -3.115) 13.207 7.031 ( 3.155 -10.956 10.358) 15.404 7.031 ( 3.155 10.956 10.358) 15.404 7.989 ( 5.045 -3.004 9.842) 11.460 7.989 ( 5.045 3.004 9.842) 11.460 9.267 ( -19.368 -1.695 -2.655) 19.623 9.267 ( -19.368 1.695 -2.655) 19.623 9.818 ( -5.732 -9.004 6.325) 12.407 9.818 ( -5.732 9.004 6.325) 12.407 10.377 ( 14.365 -11.354 -5.892) 19.235 10.377 ( 14.365 11.354 -5.892) 19.235 11.196 ( 3.326 -10.099 2.887) 11.017 11.196 ( 3.326 10.099 2.887) 11.017 11.727 ( 16.876 -5.853 -3.087) 18.126 11.727 ( 16.876 5.853 -3.087) 18.126 13.525 ( -2.485 -4.102 -0.845) 4.870 13.525 ( -2.485 4.102 -0.845) 4.870 13.762 ( 3.808 -3.051 -3.057) 5.758 13.762 ( 3.808 3.051 -3.057) 5.758 14.366 ( -2.023 -1.789 7.387) 7.866 14.366 ( -2.023 1.789 7.387) 7.866 14.941 ( -0.502 -2.410 -3.693) 4.438 14.941 ( -0.502 2.410 -3.693) 4.438 18.151 ( -4.647 -2.455 3.830) 6.503 18.151 ( -4.647 2.455 3.830) 6.503 18.632 ( -4.253 -2.003 -3.963) 6.149 18.632 ( -4.253 2.003 -3.963) 6.149 ======================= Grid point 627 (309/312) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( 5.782 -4.239 -0.385) 7.179 4.280 ( 5.782 4.239 -0.385) 7.179 4.900 ( -8.299 -7.605 -11.004) 15.742 4.900 ( -8.299 7.605 -11.004) 15.742 5.271 ( -0.540 -5.417 -2.904) 6.170 5.271 ( -0.540 5.417 -2.904) 6.170 5.980 ( 0.527 -11.083 -8.183) 13.786 5.980 ( 0.527 11.083 -8.183) 13.786 6.290 ( -3.780 -7.081 5.881) 9.951 6.290 ( -3.780 7.081 5.881) 9.951 7.019 ( -7.771 -11.886 7.225) 15.933 7.019 ( -7.771 11.886 7.225) 15.933 8.071 ( -2.403 -3.079 10.300) 11.015 8.071 ( -2.403 3.079 10.300) 11.015 8.898 ( -15.542 -2.688 -2.112) 15.914 8.898 ( -15.542 2.688 -2.112) 15.914 9.832 ( 4.846 -11.939 9.285) 15.882 9.832 ( 4.846 11.939 9.285) 15.882 10.548 ( 7.932 -9.842 -4.220) 13.326 10.548 ( 7.932 9.842 -4.220) 13.326 11.442 ( 17.331 -6.884 1.422) 18.703 11.442 ( 17.331 6.884 1.422) 18.703 11.984 ( 10.148 -4.405 -4.354) 11.889 11.984 ( 10.148 4.405 -4.354) 11.889 13.455 ( -4.355 -6.277 -1.378) 7.763 13.455 ( -4.355 6.277 -1.378) 7.763 13.853 ( 7.062 -5.669 -5.575) 10.635 13.853 ( 7.062 5.669 -5.575) 10.635 14.355 ( -2.238 -3.349 12.382) 13.020 14.355 ( -2.238 3.349 12.382) 13.020 14.909 ( -0.998 -3.780 -6.216) 7.343 14.909 ( -0.998 3.780 -6.216) 7.343 18.049 ( -7.424 -3.852 6.942) 10.870 18.049 ( -7.424 3.852 6.942) 10.870 18.499 ( -7.219 -3.021 -7.017) 10.511 18.499 ( -7.219 3.021 -7.017) 10.511 ======================= Grid point 629 (310/312) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.409 ( 5.753 -1.904 -0.389) 6.072 4.409 ( 5.753 1.904 -0.389) 6.072 4.714 ( -3.807 -8.308 -11.181) 14.440 4.714 ( -3.807 8.308 -11.181) 14.440 5.246 ( -0.897 -5.181 -2.272) 5.727 5.246 ( -0.897 5.181 -2.272) 5.727 6.016 ( 3.372 -10.049 -1.952) 10.778 6.016 ( 3.372 10.049 -1.952) 10.778 6.239 ( -3.789 -3.423 3.910) 6.431 6.239 ( -3.789 3.423 3.910) 6.431 6.795 ( -16.029 -13.156 4.549) 21.230 6.795 ( -16.029 13.156 4.549) 21.230 7.984 ( -6.433 -1.944 3.051) 7.380 7.984 ( -6.433 1.944 3.051) 7.380 8.668 ( -8.966 -5.193 2.106) 10.573 8.668 ( -8.966 5.193 2.106) 10.573 10.040 ( 11.137 -13.187 11.410) 20.691 10.040 ( 11.137 13.187 11.410) 20.691 10.725 ( 11.751 -8.450 -3.091) 14.800 10.725 ( 11.751 8.450 -3.091) 14.800 11.742 ( 11.408 -5.728 -1.154) 12.817 11.742 ( 11.408 5.728 -1.154) 12.817 12.106 ( 4.885 -6.143 -2.775) 8.324 12.106 ( 4.885 6.143 -2.775) 8.324 13.347 ( -5.851 -6.227 -2.234) 8.832 13.347 ( -5.851 6.227 -2.234) 8.832 13.986 ( 7.971 -6.918 -5.643) 11.969 13.986 ( 7.971 6.918 -5.643) 11.969 14.369 ( -0.744 -3.719 12.810) 13.360 14.369 ( -0.744 3.719 12.810) 13.360 14.864 ( -1.221 -3.998 -6.867) 8.039 14.864 ( -1.221 3.998 -6.867) 8.039 17.929 ( -7.168 -3.917 8.541) 11.818 17.929 ( -7.168 3.917 8.541) 11.818 18.322 ( -7.809 -2.679 -8.387) 11.768 18.322 ( -7.809 2.679 -8.387) 11.768 ======================= Grid point 631 (311/312) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.393 ( -3.918 -3.318 -3.856) 6.421 4.393 ( -3.918 3.318 -3.856) 6.421 4.816 ( 13.723 -8.720 -2.502) 16.450 4.816 ( 13.723 8.720 -2.502) 16.450 5.224 ( -0.602 -3.523 -2.383) 4.296 5.224 ( -0.602 3.523 -2.383) 4.296 5.946 ( -14.382 -11.824 10.256) 21.256 5.946 ( -14.382 11.824 10.256) 21.256 6.231 ( 6.169 -9.269 -12.190) 16.510 6.231 ( 6.169 9.269 -12.190) 16.510 6.528 ( -11.219 -13.066 6.388) 18.368 6.528 ( -11.219 13.066 6.388) 18.368 7.899 ( -2.722 -1.169 0.390) 2.989 7.899 ( -2.722 1.169 0.390) 2.989 8.545 ( -4.681 -3.675 2.598) 6.494 8.545 ( -4.681 3.675 2.598) 6.494 10.275 ( 8.462 -8.781 8.067) 14.622 10.275 ( 8.462 8.781 8.067) 14.622 10.932 ( 8.495 -6.083 -2.221) 10.682 10.932 ( 8.495 6.083 -2.221) 10.682 11.876 ( 5.083 -7.249 -2.698) 9.256 11.876 ( 5.083 7.249 -2.698) 9.256 12.171 ( 1.251 -5.450 0.577) 5.621 12.171 ( 1.251 5.450 0.577) 5.621 13.234 ( -4.343 -3.991 -2.158) 6.280 13.234 ( -4.343 3.991 -2.158) 6.280 14.100 ( 4.934 -4.610 -3.299) 7.515 14.100 ( 4.934 4.610 -3.299) 7.515 14.406 ( 0.540 -2.387 8.331) 8.683 14.406 ( 0.540 2.387 8.331) 8.683 14.821 ( -1.009 -3.002 -5.086) 5.992 14.821 ( -1.009 3.002 -5.086) 5.992 17.844 ( -4.080 -2.730 6.983) 8.536 17.844 ( -4.080 2.730 6.983) 8.536 18.163 ( -5.347 -1.395 -6.731) 8.709 18.163 ( -5.347 1.395 -6.731) 8.709 ======================= Grid point 633 (312/312) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( -0.000 0.000 -0.000) 0.000 4.341 ( -0.000 0.000 0.000) 0.000 5.012 ( -0.000 -0.000 -0.000) 0.000 5.012 ( 0.000 0.000 -0.000) 0.000 5.206 ( -0.000 -0.000 0.000) 0.000 5.206 ( -0.000 0.000 0.000) 0.000 5.748 ( -0.000 0.000 0.000) 0.000 5.748 ( -0.000 0.000 0.000) 0.000 6.304 ( -0.000 -0.000 -0.000) 0.000 6.304 ( -0.000 0.000 0.000) 0.000 6.416 ( -0.000 -0.000 -0.000) 0.000 6.416 ( -0.000 0.000 0.000) 0.000 7.875 ( -0.000 -0.000 0.000) 0.000 7.875 ( -0.000 0.000 0.000) 0.000 8.504 ( -0.000 0.000 -0.000) 0.000 8.504 ( -0.000 0.000 0.000) 0.000 10.380 ( -0.000 0.000 0.000) 0.000 10.380 ( -0.000 -0.000 0.000) 0.000 11.006 ( -0.000 0.000 -0.000) 0.000 11.006 ( -0.000 0.000 0.000) 0.000 11.940 ( -0.000 -0.000 0.000) 0.000 11.940 ( -0.000 0.000 0.000) 0.000 12.164 ( -0.000 -0.000 -0.000) 0.000 12.164 ( 0.000 0.000 -0.000) 0.000 13.186 ( -0.000 -0.000 0.000) 0.000 13.186 ( -0.000 0.000 0.000) 0.000 14.144 ( -0.000 -0.000 -0.000) 0.000 14.144 ( -0.000 0.000 -0.000) 0.000 14.429 ( -0.000 -0.000 0.000) 0.000 14.429 ( -0.000 0.000 0.000) 0.000 14.800 ( -0.000 0.000 0.000) 0.000 14.800 ( -0.000 0.000 0.000) 0.000 17.818 ( -0.000 0.000 -0.000) 0.000 17.818 ( -0.000 0.000 0.000) 0.000 18.095 ( -0.000 0.000 -0.000) 0.000 18.095 ( -0.000 0.000 0.000) 0.000 =================== 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 3/36000 10.0 2755.325 10915.856 4332.473 0.000 -0.955 0.000 3/36000 20.0 1503.578 2368.643 1857.985 0.000 -190.373 0.000 3/36000 30.0 592.517 771.667 714.562 0.000 -60.278 0.000 3/36000 40.0 261.239 323.097 314.964 0.000 -19.051 0.000 3/36000 50.0 138.633 168.298 168.502 0.000 -7.260 0.000 3/36000 60.0 85.081 102.631 104.580 0.000 -3.224 0.000 3/36000 70.0 57.929 69.870 72.148 0.000 -1.611 0.000 3/36000 80.0 42.503 51.453 53.695 0.000 -0.891 0.000 3/36000 90.0 32.952 40.138 42.246 0.000 -0.546 0.000 3/36000 100.0 26.635 32.697 34.654 0.000 -0.373 0.000 3/36000 110.0 22.231 27.530 29.347 0.000 -0.285 0.000 3/36000 120.0 19.027 23.783 25.476 0.000 -0.241 0.000 3/36000 130.0 16.613 20.964 22.551 0.000 -0.221 0.000 3/36000 140.0 14.739 18.776 20.274 0.000 -0.213 0.000 3/36000 150.0 13.249 17.035 18.456 0.000 -0.212 0.000 3/36000 160.0 12.039 15.616 16.972 0.000 -0.214 0.000 3/36000 170.0 11.037 14.439 15.738 0.000 -0.218 0.000 3/36000 180.0 10.195 13.445 14.695 0.000 -0.222 0.000 3/36000 190.0 9.478 12.595 13.800 0.000 -0.226 0.000 3/36000 200.0 8.860 11.857 13.023 0.000 -0.230 0.000 3/36000 210.0 8.322 11.210 12.340 0.000 -0.233 0.000 3/36000 220.0 7.849 10.638 11.735 0.000 -0.235 0.000 3/36000 230.0 7.429 10.127 11.194 0.000 -0.237 0.000 3/36000 240.0 7.055 9.668 10.706 0.000 -0.238 0.000 3/36000 250.0 6.718 9.253 10.263 0.000 -0.238 0.000 3/36000 260.0 6.414 8.874 9.860 0.000 -0.238 0.000 3/36000 270.0 6.137 8.528 9.489 0.000 -0.237 0.000 3/36000 280.0 5.885 8.210 9.148 0.000 -0.236 0.000 3/36000 290.0 5.654 7.916 8.833 0.000 -0.235 0.000 3/36000 300.0 5.441 7.644 8.540 0.000 -0.233 0.000 3/36000 310.0 5.244 7.391 8.267 0.000 -0.231 0.000 3/36000 320.0 5.062 7.155 8.011 0.000 -0.229 0.000 3/36000 330.0 4.892 6.935 7.772 0.000 -0.227 0.000 3/36000 340.0 4.734 6.728 7.548 0.000 -0.225 0.000 3/36000 350.0 4.586 6.533 7.336 0.000 -0.222 0.000 3/36000 360.0 4.448 6.350 7.137 0.000 -0.219 0.000 3/36000 370.0 4.318 6.178 6.948 0.000 -0.217 0.000 3/36000 380.0 4.195 6.014 6.769 0.000 -0.214 0.000 3/36000 390.0 4.080 5.860 6.600 0.000 -0.211 0.000 3/36000 400.0 3.971 5.713 6.439 0.000 -0.209 0.000 3/36000 410.0 3.868 5.573 6.285 0.000 -0.206 0.000 3/36000 420.0 3.770 5.441 6.139 0.000 -0.203 0.000 3/36000 430.0 3.677 5.314 6.000 0.000 -0.200 0.000 3/36000 440.0 3.589 5.194 5.867 0.000 -0.198 0.000 3/36000 450.0 3.505 5.079 5.740 0.000 -0.195 0.000 3/36000 460.0 3.425 4.969 5.618 0.000 -0.192 0.000 3/36000 470.0 3.348 4.863 5.501 0.000 -0.190 0.000 3/36000 480.0 3.275 4.763 5.390 0.000 -0.187 0.000 3/36000 490.0 3.206 4.666 5.282 0.000 -0.185 0.000 3/36000 500.0 3.139 4.573 5.179 0.000 -0.182 0.000 3/36000 510.0 3.075 4.484 5.080 0.000 -0.180 0.000 3/36000 520.0 3.013 4.398 4.984 0.000 -0.177 0.000 3/36000 530.0 2.954 4.315 4.892 0.000 -0.175 0.000 3/36000 540.0 2.898 4.236 4.804 0.000 -0.173 0.000 3/36000 550.0 2.843 4.159 4.718 0.000 -0.170 0.000 3/36000 560.0 2.791 4.086 4.636 0.000 -0.168 0.000 3/36000 570.0 2.740 4.014 4.556 0.000 -0.166 0.000 3/36000 580.0 2.691 3.946 4.479 0.000 -0.164 0.000 3/36000 590.0 2.645 3.879 4.405 0.000 -0.161 0.000 3/36000 600.0 2.599 3.815 4.333 0.000 -0.159 0.000 3/36000 610.0 2.555 3.753 4.263 0.000 -0.157 0.000 3/36000 620.0 2.513 3.692 4.196 0.000 -0.155 0.000 3/36000 630.0 2.472 3.634 4.130 0.000 -0.153 0.000 3/36000 640.0 2.433 3.578 4.067 0.000 -0.151 0.000 3/36000 650.0 2.394 3.523 4.006 0.000 -0.150 0.000 3/36000 660.0 2.357 3.470 3.946 0.000 -0.148 0.000 3/36000 670.0 2.321 3.418 3.888 0.000 -0.146 0.000 3/36000 680.0 2.286 3.368 3.832 0.000 -0.144 0.000 3/36000 690.0 2.253 3.320 3.777 0.000 -0.142 0.000 3/36000 700.0 2.220 3.273 3.724 0.000 -0.141 0.000 3/36000 710.0 2.188 3.227 3.672 0.000 -0.139 0.000 3/36000 720.0 2.157 3.182 3.622 0.000 -0.137 0.000 3/36000 730.0 2.127 3.139 3.573 0.000 -0.136 0.000 3/36000 740.0 2.097 3.097 3.526 0.000 -0.134 0.000 3/36000 750.0 2.069 3.056 3.479 0.000 -0.133 0.000 3/36000 760.0 2.041 3.016 3.434 0.000 -0.131 0.000 3/36000 770.0 2.014 2.977 3.390 0.000 -0.130 0.000 3/36000 780.0 1.988 2.939 3.347 0.000 -0.128 0.000 3/36000 790.0 1.963 2.902 3.306 0.000 -0.127 0.000 3/36000 800.0 1.938 2.866 3.265 0.000 -0.126 0.000 3/36000 810.0 1.913 2.830 3.225 0.000 -0.124 0.000 3/36000 820.0 1.890 2.796 3.186 0.000 -0.123 0.000 3/36000 830.0 1.867 2.763 3.148 0.000 -0.122 0.000 3/36000 840.0 1.844 2.730 3.111 0.000 -0.120 0.000 3/36000 850.0 1.822 2.698 3.075 0.000 -0.119 0.000 3/36000 860.0 1.801 2.667 3.040 0.000 -0.118 0.000 3/36000 870.0 1.780 2.636 3.005 0.000 -0.117 0.000 3/36000 880.0 1.759 2.606 2.971 0.000 -0.116 0.000 3/36000 890.0 1.739 2.577 2.938 0.000 -0.114 0.000 3/36000 900.0 1.720 2.549 2.906 0.000 -0.113 0.000 3/36000 910.0 1.701 2.521 2.875 0.000 -0.112 0.000 3/36000 920.0 1.682 2.493 2.844 0.000 -0.111 0.000 3/36000 930.0 1.664 2.467 2.813 0.000 -0.110 0.000 3/36000 940.0 1.646 2.441 2.784 0.000 -0.109 0.000 3/36000 950.0 1.628 2.415 2.755 0.000 -0.108 0.000 3/36000 960.0 1.611 2.390 2.726 0.000 -0.107 0.000 3/36000 970.0 1.594 2.365 2.698 0.000 -0.106 0.000 3/36000 980.0 1.578 2.341 2.671 0.000 -0.105 0.000 3/36000 990.0 1.562 2.318 2.644 0.000 -0.104 0.000 3/36000 1000.0 1.546 2.295 2.618 0.000 -0.103 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:25:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|