# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/2703ad35-ca90-4cdb-a42a-52da2c0d1192/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Hg(BiS2)2 / C2/m (12) / materials id 554921](https://mdr.nims.go.jp/datasets/c653518e-7d30-4c2a-8a1f-010c1f900f97) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 11:31:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 4 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 7.032747240690632 -2.012052955000000 0.000000000000000 b 7.032747240690632 2.012052955000000 0.000000000000000 c -6.759703380922486 0.000000000000000 12.220986597756365Atomic positions (fractional): *1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 *2 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 *3 Bi 0.65187399804524 0.65187399804524 0.85795388092229 208.980 *4 Bi 0.21953006832580 0.21953006832580 0.36562207776057 208.980 5 Bi 0.34812600195476 0.34812600195476 0.14204611907771 208.980 6 Bi 0.78046993167420 0.78046993167420 0.63437792223943 208.980 *7 S 0.00173551131021 0.00173551131021 0.17106110851677 32.065 *8 S 0.31183319584297 0.31183319584297 0.93827415278503 32.065 *9 S 0.84302700346447 0.84302700346447 0.32458689386672 32.065 10 S 0.68816680415703 0.68816680415703 0.06172584721497 32.065 11 S 0.99826448868979 0.99826448868979 0.82893889148323 32.065 *12 S 0.62275964623454 0.62275964623454 0.42509399010417 32.065 13 S 0.15697299653553 0.15697299653553 0.67541310613328 32.065 14 S 0.37724035376547 0.37724035376546 0.57490600989583 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 14.065494481381263 0.000000000000000 0.000000000000000 b 0.000000000000000 4.024105910000000 0.000000000000000 c -6.759703380922486 0.000000000000000 12.220986597756365Atomic positions (fractional): *1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 1 *2 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 2 3 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 1 4 Hg 0.50000000000000 0.50000000000000 0.50000000000000 200.590 > 2 *5 Bi 0.15187399804523 0.50000000000000 0.85795388092229 208.980 > 3 *6 Bi 0.71953006832580 0.50000000000000 0.36562207776057 208.980 > 4 7 Bi 0.84812600195476 0.50000000000000 0.14204611907771 208.980 > 5 8 Bi 0.28046993167420 0.50000000000000 0.63437792223943 208.980 > 6 9 Bi 0.65187399804524 0.00000000000000 0.85795388092229 208.980 > 3 10 Bi 0.21953006832579 0.00000000000000 0.36562207776057 208.980 > 4 11 Bi 0.34812600195477 0.00000000000000 0.14204611907771 208.980 > 5 12 Bi 0.78046993167420 0.00000000000000 0.63437792223943 208.980 > 6 *13 S 0.00173551131021 0.00000000000000 0.17106110851677 32.065 > 7 *14 S 0.31183319584297 0.00000000000000 0.93827415278503 32.065 > 8 *15 S 0.84302700346447 0.00000000000000 0.32458689386672 32.065 > 9 16 S 0.68816680415703 0.00000000000000 0.06172584721497 32.065 > 10 17 S 0.99826448868979 0.00000000000000 0.82893889148323 32.065 > 11 *18 S 0.12275964623454 0.50000000000000 0.42509399010417 32.065 > 12 19 S 0.15697299653553 0.00000000000000 0.67541310613328 32.065 > 13 20 S 0.87724035376547 0.50000000000000 0.57490600989583 32.065 > 14 21 S 0.50173551131021 0.50000000000000 0.17106110851677 32.065 > 7 22 S 0.81183319584297 0.50000000000000 0.93827415278503 32.065 > 8 23 S 0.34302700346447 0.50000000000000 0.32458689386672 32.065 > 9 24 S 0.18816680415703 0.50000000000000 0.06172584721497 32.065 > 10 25 S 0.49826448868979 0.50000000000000 0.82893889148323 32.065 > 11 26 S 0.62275964623453 0.00000000000000 0.42509399010417 32.065 > 12 27 S 0.65697299653553 0.50000000000000 0.67541310613328 32.065 > 13 28 S 0.37724035376546 0.00000000000000 0.57490600989583 32.065 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 14.065494481381263 0.000000000000000 0.000000000000000 b 0.000000000000000 16.096423640000001 0.000000000000000 c -6.759703380922486 0.000000000000000 12.220986597756365Atomic positions (fractional): *1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 1 2 Hg 0.00000000000000 0.25000000000000 0.00000000000000 200.590 > 1 3 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 1 4 Hg 0.00000000000000 0.75000000000000 0.00000000000000 200.590 > 1 *5 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 2 6 Hg 0.00000000000000 0.25000000000000 0.50000000000000 200.590 > 2 7 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 2 8 Hg 0.00000000000000 0.75000000000000 0.50000000000000 200.590 > 2 9 Hg 0.50000000000000 0.12500000000000 0.00000000000000 200.590 > 1 10 Hg 0.50000000000000 0.37500000000000 0.00000000000000 200.590 > 1 11 Hg 0.50000000000000 0.62500000000000 0.00000000000000 200.590 > 1 12 Hg 0.50000000000000 0.87500000000000 0.00000000000000 200.590 > 1 13 Hg 0.50000000000000 0.12500000000000 0.50000000000000 200.590 > 2 14 Hg 0.50000000000000 0.37500000000000 0.50000000000000 200.590 > 2 15 Hg 0.50000000000000 0.62500000000000 0.50000000000000 200.590 > 2 16 Hg 0.50000000000000 0.87500000000000 0.50000000000000 200.590 > 2 *17 Bi 0.15187399804523 0.12500000000000 0.85795388092229 208.980 > 3 18 Bi 0.15187399804523 0.37500000000000 0.85795388092229 208.980 > 3 19 Bi 0.15187399804523 0.62500000000000 0.85795388092229 208.980 > 3 20 Bi 0.15187399804523 0.87500000000000 0.85795388092229 208.980 > 3 *21 Bi 0.71953006832580 0.12500000000000 0.36562207776057 208.980 > 4 22 Bi 0.71953006832580 0.37500000000000 0.36562207776057 208.980 > 4 23 Bi 0.71953006832580 0.62500000000000 0.36562207776057 208.980 > 4 24 Bi 0.71953006832580 0.87500000000000 0.36562207776057 208.980 > 4 25 Bi 0.84812600195476 0.12500000000000 0.14204611907771 208.980 > 5 26 Bi 0.84812600195476 0.37500000000000 0.14204611907771 208.980 > 5 27 Bi 0.84812600195476 0.62500000000000 0.14204611907771 208.980 > 5 28 Bi 0.84812600195476 0.87500000000000 0.14204611907771 208.980 > 5 29 Bi 0.28046993167420 0.12500000000000 0.63437792223943 208.980 > 6 30 Bi 0.28046993167420 0.37500000000000 0.63437792223943 208.980 > 6 31 Bi 0.28046993167420 0.62500000000000 0.63437792223943 208.980 > 6 32 Bi 0.28046993167420 0.87500000000000 0.63437792223943 208.980 > 6 33 Bi 0.65187399804524 0.00000000000000 0.85795388092229 208.980 > 3 34 Bi 0.65187399804524 0.25000000000000 0.85795388092229 208.980 > 3 35 Bi 0.65187399804524 0.50000000000000 0.85795388092229 208.980 > 3 36 Bi 0.65187399804524 0.75000000000000 0.85795388092229 208.980 > 3 37 Bi 0.21953006832579 0.00000000000000 0.36562207776057 208.980 > 4 38 Bi 0.21953006832579 0.25000000000000 0.36562207776057 208.980 > 4 39 Bi 0.21953006832579 0.50000000000000 0.36562207776057 208.980 > 4 40 Bi 0.21953006832579 0.75000000000000 0.36562207776057 208.980 > 4 41 Bi 0.34812600195477 0.00000000000000 0.14204611907771 208.980 > 5 42 Bi 0.34812600195477 0.25000000000000 0.14204611907771 208.980 > 5 43 Bi 0.34812600195477 0.50000000000000 0.14204611907771 208.980 > 5 44 Bi 0.34812600195477 0.75000000000000 0.14204611907771 208.980 > 5 45 Bi 0.78046993167420 0.00000000000000 0.63437792223943 208.980 > 6 46 Bi 0.78046993167420 0.25000000000000 0.63437792223943 208.980 > 6 47 Bi 0.78046993167420 0.50000000000000 0.63437792223943 208.980 > 6 48 Bi 0.78046993167420 0.75000000000000 0.63437792223943 208.980 > 6 *49 S 0.00173551131021 0.00000000000000 0.17106110851677 32.065 > 7 50 S 0.00173551131021 0.25000000000000 0.17106110851677 32.065 > 7 51 S 0.00173551131021 0.50000000000000 0.17106110851677 32.065 > 7 52 S 0.00173551131021 0.75000000000000 0.17106110851677 32.065 > 7 *53 S 0.31183319584297 0.00000000000000 0.93827415278503 32.065 > 8 54 S 0.31183319584297 0.25000000000000 0.93827415278503 32.065 > 8 55 S 0.31183319584297 0.50000000000000 0.93827415278503 32.065 > 8 56 S 0.31183319584297 0.75000000000000 0.93827415278503 32.065 > 8 *57 S 0.84302700346447 0.00000000000000 0.32458689386672 32.065 > 9 58 S 0.84302700346447 0.25000000000000 0.32458689386672 32.065 > 9 59 S 0.84302700346447 0.50000000000000 0.32458689386672 32.065 > 9 60 S 0.84302700346447 0.75000000000000 0.32458689386672 32.065 > 9 61 S 0.68816680415703 0.00000000000000 0.06172584721497 32.065 > 10 62 S 0.68816680415703 0.25000000000000 0.06172584721497 32.065 > 10 63 S 0.68816680415703 0.50000000000000 0.06172584721497 32.065 > 10 64 S 0.68816680415703 0.75000000000000 0.06172584721497 32.065 > 10 65 S 0.99826448868979 0.00000000000000 0.82893889148323 32.065 > 11 66 S 0.99826448868979 0.25000000000000 0.82893889148323 32.065 > 11 67 S 0.99826448868979 0.50000000000000 0.82893889148323 32.065 > 11 68 S 0.99826448868979 0.75000000000000 0.82893889148323 32.065 > 11 *69 S 0.12275964623454 0.12500000000000 0.42509399010417 32.065 > 12 70 S 0.12275964623454 0.37500000000000 0.42509399010417 32.065 > 12 71 S 0.12275964623454 0.62500000000000 0.42509399010417 32.065 > 12 72 S 0.12275964623454 0.87500000000000 0.42509399010417 32.065 > 12 73 S 0.15697299653553 0.00000000000000 0.67541310613328 32.065 > 13 74 S 0.15697299653553 0.25000000000000 0.67541310613328 32.065 > 13 75 S 0.15697299653553 0.50000000000000 0.67541310613328 32.065 > 13 76 S 0.15697299653553 0.75000000000000 0.67541310613328 32.065 > 13 77 S 0.87724035376547 0.12500000000000 0.57490600989583 32.065 > 14 78 S 0.87724035376547 0.37500000000000 0.57490600989583 32.065 > 14 79 S 0.87724035376547 0.62500000000000 0.57490600989583 32.065 > 14 80 S 0.87724035376547 0.87500000000000 0.57490600989583 32.065 > 14 81 S 0.50173551131021 0.12500000000000 0.17106110851677 32.065 > 7 82 S 0.50173551131021 0.37500000000000 0.17106110851677 32.065 > 7 83 S 0.50173551131021 0.62500000000000 0.17106110851677 32.065 > 7 84 S 0.50173551131021 0.87500000000000 0.17106110851677 32.065 > 7 85 S 0.81183319584297 0.12500000000000 0.93827415278503 32.065 > 8 86 S 0.81183319584297 0.37500000000000 0.93827415278503 32.065 > 8 87 S 0.81183319584297 0.62500000000000 0.93827415278503 32.065 > 8 88 S 0.81183319584297 0.87500000000000 0.93827415278503 32.065 > 8 89 S 0.34302700346447 0.12500000000000 0.32458689386672 32.065 > 9 90 S 0.34302700346447 0.37500000000000 0.32458689386672 32.065 > 9 91 S 0.34302700346447 0.62500000000000 0.32458689386672 32.065 > 9 92 S 0.34302700346447 0.87500000000000 0.32458689386672 32.065 > 9 93 S 0.18816680415703 0.12500000000000 0.06172584721497 32.065 > 10 94 S 0.18816680415703 0.37500000000000 0.06172584721497 32.065 > 10 95 S 0.18816680415703 0.62500000000000 0.06172584721497 32.065 > 10 96 S 0.18816680415703 0.87500000000000 0.06172584721497 32.065 > 10 97 S 0.49826448868979 0.12500000000000 0.82893889148323 32.065 > 11 98 S 0.49826448868979 0.37500000000000 0.82893889148323 32.065 > 11 99 S 0.49826448868979 0.62500000000000 0.82893889148323 32.065 > 11 100 S 0.49826448868979 0.87500000000000 0.82893889148323 32.065 > 11 101 S 0.62275964623453 0.00000000000000 0.42509399010417 32.065 > 12 102 S 0.62275964623453 0.25000000000000 0.42509399010417 32.065 > 12 103 S 0.62275964623453 0.50000000000000 0.42509399010417 32.065 > 12 104 S 0.62275964623453 0.75000000000000 0.42509399010417 32.065 > 12 105 S 0.65697299653553 0.12500000000000 0.67541310613328 32.065 > 13 106 S 0.65697299653553 0.37500000000000 0.67541310613328 32.065 > 13 107 S 0.65697299653553 0.62500000000000 0.67541310613328 32.065 > 13 108 S 0.65697299653553 0.87500000000000 0.67541310613328 32.065 > 13 109 S 0.37724035376546 0.00000000000000 0.57490600989583 32.065 > 14 110 S 0.37724035376546 0.25000000000000 0.57490600989583 32.065 > 14 111 S 0.37724035376546 0.50000000000000 0.57490600989583 32.065 > 14 112 S 0.37724035376546 0.75000000000000 0.57490600989583 32.065 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 11.5690137 0.0000000 0.2022084 0.0000000 13.8623864 0.0000000 0.2022239 0.0000000 12.5163359-------------------------- Born effective charges -------------------------- 1 Hg 3.1103512 0.0000000 -0.7468757 0.0000000 1.6959725 0.0000000 -0.8111718 0.0000000 1.7986365 2 Hg 2.9243129 0.0000000 0.7143572 0.0000000 1.4114309 0.0000000 1.0808376 0.0000000 1.8579981 3 Bi 3.8023560 0.0000000 -0.0411657 0.0000000 6.9916237 0.0000000 0.2860838 0.0000000 4.7013070 4 Bi 4.2044951 0.0000000 0.5466783 0.0000000 6.1696665 0.0000000 0.1491267 0.0000000 4.6644732 5 Bi 3.8023560 0.0000000 -0.0411657 0.0000000 6.9916237 0.0000000 0.2860838 0.0000000 4.7013070 6 Bi 4.2044951 0.0000000 0.5466783 0.0000000 6.1696665 0.0000000 0.1491267 0.0000000 4.6644732 7 S -3.0728257 0.0000000 -0.7275643 0.0000000 -3.1946566 0.0000000 -1.3557225 0.0000000 -2.5634595 8 S -2.5069256 0.0000000 -0.2885741 0.0000000 -3.8117598 0.0000000 -0.2436163 0.0000000 -3.2855619 9 S -2.9645244 0.0000000 0.6210727 0.0000000 -3.8484379 0.0000000 0.7215298 0.0000000 -2.1778322 10 S -2.5069256 0.0000000 -0.2885741 0.0000000 -3.8117598 0.0000000 -0.2436163 0.0000000 -3.2855619 11 S -3.0728257 0.0000000 -0.7275643 0.0000000 -3.1946566 0.0000000 -1.3557225 0.0000000 -2.5634595 12 S -2.4799075 0.0000000 -0.0941877 0.0000000 -3.8601377 0.0000000 0.3077656 0.0000000 -3.1672439 13 S -2.9645244 0.0000000 0.6210727 0.0000000 -3.8484379 0.0000000 0.7215298 0.0000000 -2.1778322 14 S -2.4799075 0.0000000 -0.0941877 0.0000000 -3.8601377 0.0000000 0.3077656 0.0000000 -3.1672439----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 336/336Permutation basis: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1931Number of blocks in projector: 1931Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 500Use submatrix version of eigh solver.(1) Block: 500 / 500 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 485 eigenvectors found.(1) Complementary block size: 14(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 285Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 285Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 285Use standard eigh solver.Tree of FC basis block matrices:- (1931, 1892), data: False|-- (285, 277), data: True|-- (285, 277), data: True|-- (285, 277), data: True|-- (288, 288), data: True|-- (288, 288), data: True|-- (500, 485), data: False |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 480 - Time: 3.369Solver_block: 200 / 480 - Time: 3.316Solver_block: 300 / 480 - Time: 3.402Solver_block: 400 / 480 - Time: 3.296Solver_block: 480 / 480 - Time: 2.755Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.415--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xz) -0.00000000 (xz) Permutation basis: 336/336Permutation basis: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1931Number of blocks in projector: 1931Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 500Use submatrix version of eigh solver.(1) Block: 500 / 500 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found.(1) 485 eigenvectors found.(1) Complementary block size: 14(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 285Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 285Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 285Use standard eigh solver.Tree of FC basis block matrices:- (1931, 1892), data: False|-- (285, 277), data: True|-- (285, 277), data: True|-- (285, 277), data: True|-- (288, 288), data: True|-- (288, 288), data: True|-- (500, 485), data: False |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 11:32:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 11:32:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 4 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.032747240690632 -2.012052955000000 0.000000000000000 b 7.032747240690632 2.012052955000000 0.000000000000000 c -6.759703380922486 0.000000000000000 12.220986597756365Atomic positions (fractional): 1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 2 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 3 Bi 0.65187399804524 0.65187399804524 0.85795388092229 208.980 4 Bi 0.21953006832580 0.21953006832580 0.36562207776057 208.980 5 Bi 0.34812600195476 0.34812600195476 0.14204611907771 208.980 6 Bi 0.78046993167420 0.78046993167420 0.63437792223943 208.980 7 S 0.00173551131021 0.00173551131021 0.17106110851677 32.065 8 S 0.31183319584297 0.31183319584297 0.93827415278503 32.065 9 S 0.84302700346447 0.84302700346447 0.32458689386672 32.065 10 S 0.68816680415703 0.68816680415703 0.06172584721497 32.065 11 S 0.99826448868979 0.99826448868979 0.82893889148323 32.065 12 S 0.62275964623454 0.62275964623454 0.42509399010417 32.065 13 S 0.15697299653553 0.15697299653553 0.67541310613328 32.065 14 S 0.37724035376547 0.37724035376546 0.57490600989583 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 14.065494481381263 0.000000000000000 0.000000000000000 b 0.000000000000000 16.096423640000001 0.000000000000000 c -6.759703380922486 0.000000000000000 12.220986597756365Atomic positions (fractional): 1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 1 2 Hg 0.00000000000000 0.25000000000000 0.00000000000000 200.590 > 1 3 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 1 4 Hg 0.00000000000000 0.75000000000000 0.00000000000000 200.590 > 1 5 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 5 6 Hg 0.00000000000000 0.25000000000000 0.50000000000000 200.590 > 5 7 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 5 8 Hg 0.00000000000000 0.75000000000000 0.50000000000000 200.590 > 5 9 Hg 0.50000000000000 0.12500000000000 0.00000000000000 200.590 > 1 10 Hg 0.50000000000000 0.37500000000000 0.00000000000000 200.590 > 1 11 Hg 0.50000000000000 0.62500000000000 0.00000000000000 200.590 > 1 12 Hg 0.50000000000000 0.87500000000000 0.00000000000000 200.590 > 1 13 Hg 0.50000000000000 0.12500000000000 0.50000000000000 200.590 > 5 14 Hg 0.50000000000000 0.37500000000000 0.50000000000000 200.590 > 5 15 Hg 0.50000000000000 0.62500000000000 0.50000000000000 200.590 > 5 16 Hg 0.50000000000000 0.87500000000000 0.50000000000000 200.590 > 5 17 Bi 0.15187399804523 0.12500000000000 0.85795388092229 208.980 > 17 18 Bi 0.15187399804523 0.37500000000000 0.85795388092229 208.980 > 17 19 Bi 0.15187399804523 0.62500000000000 0.85795388092229 208.980 > 17 20 Bi 0.15187399804523 0.87500000000000 0.85795388092229 208.980 > 17 21 Bi 0.71953006832580 0.12500000000000 0.36562207776057 208.980 > 21 22 Bi 0.71953006832580 0.37500000000000 0.36562207776057 208.980 > 21 23 Bi 0.71953006832580 0.62500000000000 0.36562207776057 208.980 > 21 24 Bi 0.71953006832580 0.87500000000000 0.36562207776057 208.980 > 21 25 Bi 0.84812600195476 0.12500000000000 0.14204611907771 208.980 > 25 26 Bi 0.84812600195476 0.37500000000000 0.14204611907771 208.980 > 25 27 Bi 0.84812600195476 0.62500000000000 0.14204611907771 208.980 > 25 28 Bi 0.84812600195476 0.87500000000000 0.14204611907771 208.980 > 25 29 Bi 0.28046993167420 0.12500000000000 0.63437792223943 208.980 > 29 30 Bi 0.28046993167420 0.37500000000000 0.63437792223943 208.980 > 29 31 Bi 0.28046993167420 0.62500000000000 0.63437792223943 208.980 > 29 32 Bi 0.28046993167420 0.87500000000000 0.63437792223943 208.980 > 29 33 Bi 0.65187399804524 0.00000000000000 0.85795388092229 208.980 > 17 34 Bi 0.65187399804524 0.25000000000000 0.85795388092229 208.980 > 17 35 Bi 0.65187399804524 0.50000000000000 0.85795388092229 208.980 > 17 36 Bi 0.65187399804524 0.75000000000000 0.85795388092229 208.980 > 17 37 Bi 0.21953006832579 0.00000000000000 0.36562207776057 208.980 > 21 38 Bi 0.21953006832579 0.25000000000000 0.36562207776057 208.980 > 21 39 Bi 0.21953006832579 0.50000000000000 0.36562207776057 208.980 > 21 40 Bi 0.21953006832579 0.75000000000000 0.36562207776057 208.980 > 21 41 Bi 0.34812600195477 0.00000000000000 0.14204611907771 208.980 > 25 42 Bi 0.34812600195477 0.25000000000000 0.14204611907771 208.980 > 25 43 Bi 0.34812600195477 0.50000000000000 0.14204611907771 208.980 > 25 44 Bi 0.34812600195477 0.75000000000000 0.14204611907771 208.980 > 25 45 Bi 0.78046993167420 0.00000000000000 0.63437792223943 208.980 > 29 46 Bi 0.78046993167420 0.25000000000000 0.63437792223943 208.980 > 29 47 Bi 0.78046993167420 0.50000000000000 0.63437792223943 208.980 > 29 48 Bi 0.78046993167420 0.75000000000000 0.63437792223943 208.980 > 29 49 S 0.00173551131021 0.00000000000000 0.17106110851677 32.065 > 49 50 S 0.00173551131021 0.25000000000000 0.17106110851677 32.065 > 49 51 S 0.00173551131021 0.50000000000000 0.17106110851677 32.065 > 49 52 S 0.00173551131021 0.75000000000000 0.17106110851677 32.065 > 49 53 S 0.31183319584297 0.00000000000000 0.93827415278503 32.065 > 53 54 S 0.31183319584297 0.25000000000000 0.93827415278503 32.065 > 53 55 S 0.31183319584297 0.50000000000000 0.93827415278503 32.065 > 53 56 S 0.31183319584297 0.75000000000000 0.93827415278503 32.065 > 53 57 S 0.84302700346447 0.00000000000000 0.32458689386672 32.065 > 57 58 S 0.84302700346447 0.25000000000000 0.32458689386672 32.065 > 57 59 S 0.84302700346447 0.50000000000000 0.32458689386672 32.065 > 57 60 S 0.84302700346447 0.75000000000000 0.32458689386672 32.065 > 57 61 S 0.68816680415703 0.00000000000000 0.06172584721497 32.065 > 61 62 S 0.68816680415703 0.25000000000000 0.06172584721497 32.065 > 61 63 S 0.68816680415703 0.50000000000000 0.06172584721497 32.065 > 61 64 S 0.68816680415703 0.75000000000000 0.06172584721497 32.065 > 61 65 S 0.99826448868979 0.00000000000000 0.82893889148323 32.065 > 65 66 S 0.99826448868979 0.25000000000000 0.82893889148323 32.065 > 65 67 S 0.99826448868979 0.50000000000000 0.82893889148323 32.065 > 65 68 S 0.99826448868979 0.75000000000000 0.82893889148323 32.065 > 65 69 S 0.12275964623454 0.12500000000000 0.42509399010417 32.065 > 69 70 S 0.12275964623454 0.37500000000000 0.42509399010417 32.065 > 69 71 S 0.12275964623454 0.62500000000000 0.42509399010417 32.065 > 69 72 S 0.12275964623454 0.87500000000000 0.42509399010417 32.065 > 69 73 S 0.15697299653553 0.00000000000000 0.67541310613328 32.065 > 73 74 S 0.15697299653553 0.25000000000000 0.67541310613328 32.065 > 73 75 S 0.15697299653553 0.50000000000000 0.67541310613328 32.065 > 73 76 S 0.15697299653553 0.75000000000000 0.67541310613328 32.065 > 73 77 S 0.87724035376547 0.12500000000000 0.57490600989583 32.065 > 77 78 S 0.87724035376547 0.37500000000000 0.57490600989583 32.065 > 77 79 S 0.87724035376547 0.62500000000000 0.57490600989583 32.065 > 77 80 S 0.87724035376547 0.87500000000000 0.57490600989583 32.065 > 77 81 S 0.50173551131021 0.12500000000000 0.17106110851677 32.065 > 49 82 S 0.50173551131021 0.37500000000000 0.17106110851677 32.065 > 49 83 S 0.50173551131021 0.62500000000000 0.17106110851677 32.065 > 49 84 S 0.50173551131021 0.87500000000000 0.17106110851677 32.065 > 49 85 S 0.81183319584297 0.12500000000000 0.93827415278503 32.065 > 53 86 S 0.81183319584297 0.37500000000000 0.93827415278503 32.065 > 53 87 S 0.81183319584297 0.62500000000000 0.93827415278503 32.065 > 53 88 S 0.81183319584297 0.87500000000000 0.93827415278503 32.065 > 53 89 S 0.34302700346447 0.12500000000000 0.32458689386672 32.065 > 57 90 S 0.34302700346447 0.37500000000000 0.32458689386672 32.065 > 57 91 S 0.34302700346447 0.62500000000000 0.32458689386672 32.065 > 57 92 S 0.34302700346447 0.87500000000000 0.32458689386672 32.065 > 57 93 S 0.18816680415703 0.12500000000000 0.06172584721497 32.065 > 61 94 S 0.18816680415703 0.37500000000000 0.06172584721497 32.065 > 61 95 S 0.18816680415703 0.62500000000000 0.06172584721497 32.065 > 61 96 S 0.18816680415703 0.87500000000000 0.06172584721497 32.065 > 61 97 S 0.49826448868979 0.12500000000000 0.82893889148323 32.065 > 65 98 S 0.49826448868979 0.37500000000000 0.82893889148323 32.065 > 65 99 S 0.49826448868979 0.62500000000000 0.82893889148323 32.065 > 65 100 S 0.49826448868979 0.87500000000000 0.82893889148323 32.065 > 65 101 S 0.62275964623453 0.00000000000000 0.42509399010417 32.065 > 69 102 S 0.62275964623453 0.25000000000000 0.42509399010417 32.065 > 69 103 S 0.62275964623453 0.50000000000000 0.42509399010417 32.065 > 69 104 S 0.62275964623453 0.75000000000000 0.42509399010417 32.065 > 69 105 S 0.65697299653553 0.12500000000000 0.67541310613328 32.065 > 73 106 S 0.65697299653553 0.37500000000000 0.67541310613328 32.065 > 73 107 S 0.65697299653553 0.62500000000000 0.67541310613328 32.065 > 73 108 S 0.65697299653553 0.87500000000000 0.67541310613328 32.065 > 73 109 S 0.37724035376546 0.00000000000000 0.57490600989583 32.065 > 77 110 S 0.37724035376546 0.25000000000000 0.57490600989583 32.065 > 77 111 S 0.37724035376546 0.50000000000000 0.57490600989583 32.065 > 77 112 S 0.37724035376546 0.75000000000000 0.57490600989583 32.065 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 11.5690137 0.0000000 0.2022084 0.0000000 13.8623864 0.0000000 0.2022239 0.0000000 12.5163359-------------------------- Born effective charges -------------------------- 1 Hg 3.1103512 0.0000000 -0.7468757 0.0000000 1.6959725 0.0000000 -0.8111718 0.0000000 1.7986365 2 Hg 2.9243129 0.0000000 0.7143572 0.0000000 1.4114309 0.0000000 1.0808376 0.0000000 1.8579981 3 Bi 3.8023560 0.0000000 -0.0411657 0.0000000 6.9916237 0.0000000 0.2860838 0.0000000 4.7013070 4 Bi 4.2044951 0.0000000 0.5466783 0.0000000 6.1696665 0.0000000 0.1491267 0.0000000 4.6644732 5 Bi 3.8023560 0.0000000 -0.0411657 0.0000000 6.9916237 0.0000000 0.2860838 0.0000000 4.7013070 6 Bi 4.2044951 0.0000000 0.5466783 0.0000000 6.1696665 0.0000000 0.1491267 0.0000000 4.6644732 7 S -3.0728257 0.0000000 -0.7275643 0.0000000 -3.1946566 0.0000000 -1.3557225 0.0000000 -2.5634595 8 S -2.5069256 0.0000000 -0.2885741 0.0000000 -3.8117598 0.0000000 -0.2436163 0.0000000 -3.2855619 9 S -2.9645244 0.0000000 0.6210727 0.0000000 -3.8484379 0.0000000 0.7215298 0.0000000 -2.1778322 10 S -2.5069256 0.0000000 -0.2885741 0.0000000 -3.8117598 0.0000000 -0.2436163 0.0000000 -3.2855619 11 S -3.0728257 0.0000000 -0.7275643 0.0000000 -3.1946566 0.0000000 -1.3557225 0.0000000 -2.5634595 12 S -2.4799075 0.0000000 -0.0941877 0.0000000 -3.8601377 0.0000000 0.3077656 0.0000000 -3.1672439 13 S -2.9645244 0.0000000 0.6210727 0.0000000 -3.8484379 0.0000000 0.7215298 0.0000000 -2.1778322 14 S -2.4799075 0.0000000 -0.0941877 0.0000000 -3.8601377 0.0000000 0.3077656 0.0000000 -3.1672439----------------------------------------------------------------------------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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Computing fc3[ 5, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Computing fc3[ 17, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Computing fc3[ 21, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Computing fc3[ 53, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Computing fc3[ 57, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Computing fc3[ 69, 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] [-0.0048 0.0000 0.0088] [ 0.0048 0.0000 -0.0088]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 11:32:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 11:32:29]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 4 1]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: C2/m (12)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.032747240690632 -2.012052955000000 0.000000000000000 b 7.032747240690632 2.012052955000000 0.000000000000000 c -6.759703380922486 0.000000000000000 12.220986597756365Atomic positions (fractional): 1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 2 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 3 Bi 0.65187399804524 0.65187399804524 0.85795388092229 208.980 4 Bi 0.21953006832580 0.21953006832580 0.36562207776057 208.980 5 Bi 0.34812600195476 0.34812600195476 0.14204611907771 208.980 6 Bi 0.78046993167420 0.78046993167420 0.63437792223943 208.980 7 S 0.00173551131021 0.00173551131021 0.17106110851677 32.065 8 S 0.31183319584297 0.31183319584297 0.93827415278503 32.065 9 S 0.84302700346447 0.84302700346447 0.32458689386672 32.065 10 S 0.68816680415703 0.68816680415703 0.06172584721497 32.065 11 S 0.99826448868979 0.99826448868979 0.82893889148323 32.065 12 S 0.62275964623454 0.62275964623454 0.42509399010417 32.065 13 S 0.15697299653553 0.15697299653553 0.67541310613328 32.065 14 S 0.37724035376547 0.37724035376546 0.57490600989583 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 14.065494481381263 0.000000000000000 0.000000000000000 b 0.000000000000000 16.096423640000001 0.000000000000000 c -6.759703380922486 0.000000000000000 12.220986597756365Atomic positions (fractional): 1 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 1 2 Hg 0.00000000000000 0.25000000000000 0.00000000000000 200.590 > 1 3 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 1 4 Hg 0.00000000000000 0.75000000000000 0.00000000000000 200.590 > 1 5 Hg 0.00000000000000 0.00000000000000 0.50000000000000 200.590 > 5 6 Hg 0.00000000000000 0.25000000000000 0.50000000000000 200.590 > 5 7 Hg 0.00000000000000 0.50000000000000 0.50000000000000 200.590 > 5 8 Hg 0.00000000000000 0.75000000000000 0.50000000000000 200.590 > 5 9 Hg 0.50000000000000 0.12500000000000 0.00000000000000 200.590 > 1 10 Hg 0.50000000000000 0.37500000000000 0.00000000000000 200.590 > 1 11 Hg 0.50000000000000 0.62500000000000 0.00000000000000 200.590 > 1 12 Hg 0.50000000000000 0.87500000000000 0.00000000000000 200.590 > 1 13 Hg 0.50000000000000 0.12500000000000 0.50000000000000 200.590 > 5 14 Hg 0.50000000000000 0.37500000000000 0.50000000000000 200.590 > 5 15 Hg 0.50000000000000 0.62500000000000 0.50000000000000 200.590 > 5 16 Hg 0.50000000000000 0.87500000000000 0.50000000000000 200.590 > 5 17 Bi 0.15187399804523 0.12500000000000 0.85795388092229 208.980 > 17 18 Bi 0.15187399804523 0.37500000000000 0.85795388092229 208.980 > 17 19 Bi 0.15187399804523 0.62500000000000 0.85795388092229 208.980 > 17 20 Bi 0.15187399804523 0.87500000000000 0.85795388092229 208.980 > 17 21 Bi 0.71953006832580 0.12500000000000 0.36562207776057 208.980 > 21 22 Bi 0.71953006832580 0.37500000000000 0.36562207776057 208.980 > 21 23 Bi 0.71953006832580 0.62500000000000 0.36562207776057 208.980 > 21 24 Bi 0.71953006832580 0.87500000000000 0.36562207776057 208.980 > 21 25 Bi 0.84812600195476 0.12500000000000 0.14204611907771 208.980 > 25 26 Bi 0.84812600195476 0.37500000000000 0.14204611907771 208.980 > 25 27 Bi 0.84812600195476 0.62500000000000 0.14204611907771 208.980 > 25 28 Bi 0.84812600195476 0.87500000000000 0.14204611907771 208.980 > 25 29 Bi 0.28046993167420 0.12500000000000 0.63437792223943 208.980 > 29 30 Bi 0.28046993167420 0.37500000000000 0.63437792223943 208.980 > 29 31 Bi 0.28046993167420 0.62500000000000 0.63437792223943 208.980 > 29 32 Bi 0.28046993167420 0.87500000000000 0.63437792223943 208.980 > 29 33 Bi 0.65187399804524 0.00000000000000 0.85795388092229 208.980 > 17 34 Bi 0.65187399804524 0.25000000000000 0.85795388092229 208.980 > 17 35 Bi 0.65187399804524 0.50000000000000 0.85795388092229 208.980 > 17 36 Bi 0.65187399804524 0.75000000000000 0.85795388092229 208.980 > 17 37 Bi 0.21953006832579 0.00000000000000 0.36562207776057 208.980 > 21 38 Bi 0.21953006832579 0.25000000000000 0.36562207776057 208.980 > 21 39 Bi 0.21953006832579 0.50000000000000 0.36562207776057 208.980 > 21 40 Bi 0.21953006832579 0.75000000000000 0.36562207776057 208.980 > 21 41 Bi 0.34812600195477 0.00000000000000 0.14204611907771 208.980 > 25 42 Bi 0.34812600195477 0.25000000000000 0.14204611907771 208.980 > 25 43 Bi 0.34812600195477 0.50000000000000 0.14204611907771 208.980 > 25 44 Bi 0.34812600195477 0.75000000000000 0.14204611907771 208.980 > 25 45 Bi 0.78046993167420 0.00000000000000 0.63437792223943 208.980 > 29 46 Bi 0.78046993167420 0.25000000000000 0.63437792223943 208.980 > 29 47 Bi 0.78046993167420 0.50000000000000 0.63437792223943 208.980 > 29 48 Bi 0.78046993167420 0.75000000000000 0.63437792223943 208.980 > 29 49 S 0.00173551131021 0.00000000000000 0.17106110851677 32.065 > 49 50 S 0.00173551131021 0.25000000000000 0.17106110851677 32.065 > 49 51 S 0.00173551131021 0.50000000000000 0.17106110851677 32.065 > 49 52 S 0.00173551131021 0.75000000000000 0.17106110851677 32.065 > 49 53 S 0.31183319584297 0.00000000000000 0.93827415278503 32.065 > 53 54 S 0.31183319584297 0.25000000000000 0.93827415278503 32.065 > 53 55 S 0.31183319584297 0.50000000000000 0.93827415278503 32.065 > 53 56 S 0.31183319584297 0.75000000000000 0.93827415278503 32.065 > 53 57 S 0.84302700346447 0.00000000000000 0.32458689386672 32.065 > 57 58 S 0.84302700346447 0.25000000000000 0.32458689386672 32.065 > 57 59 S 0.84302700346447 0.50000000000000 0.32458689386672 32.065 > 57 60 S 0.84302700346447 0.75000000000000 0.32458689386672 32.065 > 57 61 S 0.68816680415703 0.00000000000000 0.06172584721497 32.065 > 61 62 S 0.68816680415703 0.25000000000000 0.06172584721497 32.065 > 61 63 S 0.68816680415703 0.50000000000000 0.06172584721497 32.065 > 61 64 S 0.68816680415703 0.75000000000000 0.06172584721497 32.065 > 61 65 S 0.99826448868979 0.00000000000000 0.82893889148323 32.065 > 65 66 S 0.99826448868979 0.25000000000000 0.82893889148323 32.065 > 65 67 S 0.99826448868979 0.50000000000000 0.82893889148323 32.065 > 65 68 S 0.99826448868979 0.75000000000000 0.82893889148323 32.065 > 65 69 S 0.12275964623454 0.12500000000000 0.42509399010417 32.065 > 69 70 S 0.12275964623454 0.37500000000000 0.42509399010417 32.065 > 69 71 S 0.12275964623454 0.62500000000000 0.42509399010417 32.065 > 69 72 S 0.12275964623454 0.87500000000000 0.42509399010417 32.065 > 69 73 S 0.15697299653553 0.00000000000000 0.67541310613328 32.065 > 73 74 S 0.15697299653553 0.25000000000000 0.67541310613328 32.065 > 73 75 S 0.15697299653553 0.50000000000000 0.67541310613328 32.065 > 73 76 S 0.15697299653553 0.75000000000000 0.67541310613328 32.065 > 73 77 S 0.87724035376547 0.12500000000000 0.57490600989583 32.065 > 77 78 S 0.87724035376547 0.37500000000000 0.57490600989583 32.065 > 77 79 S 0.87724035376547 0.62500000000000 0.57490600989583 32.065 > 77 80 S 0.87724035376547 0.87500000000000 0.57490600989583 32.065 > 77 81 S 0.50173551131021 0.12500000000000 0.17106110851677 32.065 > 49 82 S 0.50173551131021 0.37500000000000 0.17106110851677 32.065 > 49 83 S 0.50173551131021 0.62500000000000 0.17106110851677 32.065 > 49 84 S 0.50173551131021 0.87500000000000 0.17106110851677 32.065 > 49 85 S 0.81183319584297 0.12500000000000 0.93827415278503 32.065 > 53 86 S 0.81183319584297 0.37500000000000 0.93827415278503 32.065 > 53 87 S 0.81183319584297 0.62500000000000 0.93827415278503 32.065 > 53 88 S 0.81183319584297 0.87500000000000 0.93827415278503 32.065 > 53 89 S 0.34302700346447 0.12500000000000 0.32458689386672 32.065 > 57 90 S 0.34302700346447 0.37500000000000 0.32458689386672 32.065 > 57 91 S 0.34302700346447 0.62500000000000 0.32458689386672 32.065 > 57 92 S 0.34302700346447 0.87500000000000 0.32458689386672 32.065 > 57 93 S 0.18816680415703 0.12500000000000 0.06172584721497 32.065 > 61 94 S 0.18816680415703 0.37500000000000 0.06172584721497 32.065 > 61 95 S 0.18816680415703 0.62500000000000 0.06172584721497 32.065 > 61 96 S 0.18816680415703 0.87500000000000 0.06172584721497 32.065 > 61 97 S 0.49826448868979 0.12500000000000 0.82893889148323 32.065 > 65 98 S 0.49826448868979 0.37500000000000 0.82893889148323 32.065 > 65 99 S 0.49826448868979 0.62500000000000 0.82893889148323 32.065 > 65 100 S 0.49826448868979 0.87500000000000 0.82893889148323 32.065 > 65 101 S 0.62275964623453 0.00000000000000 0.42509399010417 32.065 > 69 102 S 0.62275964623453 0.25000000000000 0.42509399010417 32.065 > 69 103 S 0.62275964623453 0.50000000000000 0.42509399010417 32.065 > 69 104 S 0.62275964623453 0.75000000000000 0.42509399010417 32.065 > 69 105 S 0.65697299653553 0.12500000000000 0.67541310613328 32.065 > 73 106 S 0.65697299653553 0.37500000000000 0.67541310613328 32.065 > 73 107 S 0.65697299653553 0.62500000000000 0.67541310613328 32.065 > 73 108 S 0.65697299653553 0.87500000000000 0.67541310613328 32.065 > 73 109 S 0.37724035376546 0.00000000000000 0.57490600989583 32.065 > 77 110 S 0.37724035376546 0.25000000000000 0.57490600989583 32.065 > 77 111 S 0.37724035376546 0.50000000000000 0.57490600989583 32.065 > 77 112 S 0.37724035376546 0.75000000000000 0.57490600989583 32.065 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 11.5690137 0.0000000 0.2022084 0.0000000 13.8623864 0.0000000 0.2022239 0.0000000 12.5163359-------------------------- Born effective charges -------------------------- 1 Hg 3.1103512 0.0000000 -0.7468757 0.0000000 1.6959725 0.0000000 -0.8111718 0.0000000 1.7986365 2 Hg 2.9243129 0.0000000 0.7143572 0.0000000 1.4114309 0.0000000 1.0808376 0.0000000 1.8579981 3 Bi 3.8023560 0.0000000 -0.0411657 0.0000000 6.9916237 0.0000000 0.2860838 0.0000000 4.7013070 4 Bi 4.2044951 0.0000000 0.5466783 0.0000000 6.1696665 0.0000000 0.1491267 0.0000000 4.6644732 5 Bi 3.8023560 0.0000000 -0.0411657 0.0000000 6.9916237 0.0000000 0.2860838 0.0000000 4.7013070 6 Bi 4.2044951 0.0000000 0.5466783 0.0000000 6.1696665 0.0000000 0.1491267 0.0000000 4.6644732 7 S -3.0728257 0.0000000 -0.7275643 0.0000000 -3.1946566 0.0000000 -1.3557225 0.0000000 -2.5634595 8 S -2.5069256 0.0000000 -0.2885741 0.0000000 -3.8117598 0.0000000 -0.2436163 0.0000000 -3.2855619 9 S -2.9645244 0.0000000 0.6210727 0.0000000 -3.8484379 0.0000000 0.7215298 0.0000000 -2.1778322 10 S -2.5069256 0.0000000 -0.2885741 0.0000000 -3.8117598 0.0000000 -0.2436163 0.0000000 -3.2855619 11 S -3.0728257 0.0000000 -0.7275643 0.0000000 -3.1946566 0.0000000 -1.3557225 0.0000000 -2.5634595 12 S -2.4799075 0.0000000 -0.0941877 0.0000000 -3.8601377 0.0000000 0.3077656 0.0000000 -3.1672439 13 S -2.9645244 0.0000000 0.6210727 0.0000000 -3.8484379 0.0000000 0.7215298 0.0000000 -2.1778322 14 S -2.4799075 0.0000000 -0.0941877 0.0000000 -3.8601377 0.0000000 0.3077656 0.0000000 -3.1672439----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xxy) 0.00000000 (xxy) 0.00000000 (xyx)Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 13 13 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 311, Lambda: 0.22Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/189) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 0.571 ( 0.000 0.000 0.000) 0.000 0.871 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.187 ( 0.000 0.000 0.000) 0.000 1.260 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.648 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.577 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 8.151 ( 0.000 0.000 0.000) 0.000 8.977 ( 0.000 0.000 0.000) 0.000 9.215 ( 0.000 0.000 0.000) 0.000 9.998 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/189) =======================q-point: ( 0.08 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.281 ( 3.064 -11.820 13.055) 17.876 0.357 ( 1.685 -17.371 1.239) 17.496 0.617 ( 4.955 -27.520 -0.701) 27.972 0.776 ( 0.947 -14.457 -0.137) 14.489 0.895 ( 1.291 -2.608 -0.420) 2.940 1.167 ( -1.215 0.887 0.637) 1.633 1.209 ( -0.097 -4.558 0.104) 4.560 1.269 ( -0.933 0.209 -0.037) 0.957 1.393 ( -0.687 -2.346 -0.074) 2.446 1.467 ( -2.822 -0.196 -6.035) 6.665 1.530 ( 1.169 -1.016 6.136) 6.328 1.602 ( 0.242 -9.410 0.353) 9.420 1.798 ( 0.113 -10.556 0.136) 10.558 2.090 ( 2.396 -5.961 -0.606) 6.453 2.425 ( -0.578 3.952 0.042) 3.994 2.657 ( 0.650 2.443 -1.835) 3.123 2.730 ( -2.387 0.386 1.375) 2.781 2.753 ( 3.246 1.047 -1.034) 3.564 3.952 ( -0.142 -36.837 1.185) 36.856 4.265 ( 3.023 -8.662 -0.763) 9.206 4.662 ( 1.697 1.117 -0.808) 2.186 4.929 ( 1.918 -10.655 -5.229) 12.023 4.999 ( 0.411 1.912 -1.695) 2.588 5.194 ( -29.266 -9.938 0.682) 30.915 5.729 ( 2.482 2.231 0.185) 3.342 6.154 ( -9.231 1.482 -9.305) 13.190 6.219 ( 0.107 4.889 -1.137) 5.021 6.265 ( -7.299 3.523 4.208) 9.132 6.346 ( 4.357 4.064 0.079) 5.958 6.664 ( -3.354 -4.450 -27.623) 28.179 6.725 ( -0.002 1.327 0.837) 1.569 6.735 ( 0.672 4.202 -3.159) 5.300 6.975 ( 0.087 3.829 -0.156) 3.833 7.190 ( 6.445 4.773 16.546) 18.387 7.562 ( -3.388 -0.073 -0.393) 3.412 7.843 ( 5.182 2.749 -0.650) 5.902 7.978 ( -0.549 0.259 -0.255) 0.658 8.140 ( 2.104 4.397 9.571) 10.741 8.962 ( 0.122 1.635 0.919) 1.879 9.198 ( -0.004 1.669 0.273) 1.691 10.005 ( 0.901 0.735 2.501) 2.758 10.136 ( 1.213 1.795 -0.841) 2.324======================= Grid point 2 (3/189) =======================q-point: ( 0.15 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( 2.767 -11.830 9.238) 15.263 0.680 ( 0.033 -15.400 0.947) 15.429 0.949 ( -0.409 -6.104 -1.707) 6.351 1.021 ( 2.167 -9.023 -1.182) 9.355 1.046 ( 3.263 -9.847 1.008) 10.423 1.158 ( -1.643 -0.487 1.100) 2.037 1.254 ( -2.652 -1.095 -1.327) 3.161 1.373 ( -0.138 -10.413 0.038) 10.414 1.439 ( -1.969 -0.207 -3.791) 4.277 1.540 ( 2.695 -14.315 1.772) 14.674 1.587 ( 0.802 -2.976 3.652) 4.778 1.844 ( -0.877 -13.859 1.050) 13.927 1.962 ( 0.212 -5.854 1.138) 5.967 2.272 ( -1.208 -8.781 -4.038) 9.740 2.352 ( 1.758 -0.120 1.502) 2.315 2.635 ( 0.653 -0.258 -3.104) 3.183 2.698 ( -0.002 2.396 0.046) 2.396 2.745 ( 0.045 0.865 0.583) 1.044 4.380 ( 3.129 -0.329 0.757) 3.236 4.611 ( 0.891 5.761 0.516) 5.852 4.665 ( -1.059 -30.513 -0.277) 30.533 4.931 ( -2.200 2.253 1.356) 3.429 5.155 ( 4.289 -8.484 2.923) 9.946 5.323 ( -8.687 -14.895 -2.322) 17.399 5.672 ( 2.581 5.819 0.155) 6.368 6.068 ( -8.265 -0.539 -8.477) 11.852 6.107 ( -1.612 3.864 -0.022) 4.187 6.184 ( -5.174 2.352 5.331) 7.792 6.268 ( -1.595 4.127 0.289) 4.434 6.565 ( -1.823 5.188 -4.927) 7.384 6.678 ( 0.542 1.571 -8.045) 8.215 6.706 ( -2.251 0.171 -2.635) 3.470 6.868 ( 0.879 7.204 0.097) 7.258 7.155 ( -0.330 3.138 0.733) 3.239 7.556 ( -2.578 -0.714 2.046) 3.368 7.800 ( 4.226 4.165 -0.529) 5.957 7.962 ( -1.642 0.757 -0.003) 1.808 8.088 ( 3.524 4.731 5.834) 8.297 8.929 ( 0.732 2.247 2.143) 3.190 9.159 ( 0.187 2.411 0.458) 2.461 10.000 ( 0.779 0.633 -0.019) 1.004 10.102 ( 0.685 1.818 -0.582) 2.028======================= Grid point 3 (4/189) =======================q-point: ( 0.23 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( 1.981 -10.760 5.544) 12.266 0.941 ( -1.409 -11.378 0.894) 11.500 1.049 ( -0.959 -5.391 0.284) 5.483 1.120 ( 0.256 -2.437 -0.146) 2.455 1.154 ( -0.022 -2.565 0.036) 2.566 1.195 ( 0.662 -2.764 0.366) 2.866 1.300 ( -1.595 -5.078 -2.138) 5.736 1.428 ( -1.481 -1.170 -2.589) 3.204 1.556 ( -0.196 -7.949 2.434) 8.316 1.640 ( 1.605 -1.593 2.826) 3.620 1.892 ( 0.540 -13.571 -1.265) 13.641 1.996 ( 1.656 -3.160 0.823) 3.661 2.096 ( -4.398 -5.585 0.380) 7.119 2.268 ( 2.762 -1.925 1.219) 3.581 2.544 ( -0.824 -8.390 -1.060) 8.497 2.632 ( -0.800 2.929 -2.986) 4.259 2.656 ( 1.459 -2.871 -2.940) 4.361 2.756 ( -0.140 -3.307 2.541) 4.172 4.304 ( 1.137 9.192 -0.382) 9.270 4.454 ( -0.009 7.887 0.087) 7.888 4.854 ( -3.115 2.057 1.744) 4.120 5.055 ( -2.931 -4.695 5.488) 7.794 5.249 ( -5.760 -0.615 -3.076) 6.559 5.465 ( -6.523 1.081 4.381) 7.932 5.616 ( -3.425 -6.295 -2.748) 7.675 6.051 ( -3.101 0.009 -4.945) 5.837 6.082 ( 1.670 -2.961 1.116) 3.578 6.158 ( -1.683 1.060 4.924) 5.311 6.214 ( -6.912 -2.530 -1.656) 7.545 6.482 ( -1.812 1.133 -8.870) 9.124 6.606 ( -3.021 4.078 0.236) 5.080 6.695 ( -0.073 0.603 -1.957) 2.049 6.743 ( 2.090 3.049 -0.976) 3.823 7.085 ( -2.499 2.935 -2.894) 4.820 7.566 ( -1.796 -0.685 2.756) 3.360 7.738 ( 2.989 3.991 -0.126) 4.988 7.932 ( -1.416 1.502 0.435) 2.109 8.043 ( 2.601 2.911 2.628) 4.706 8.904 ( 1.626 1.813 3.338) 4.131 9.118 ( 0.588 2.159 0.601) 2.317 9.988 ( 0.418 0.798 -1.284) 1.569 10.077 ( 0.539 0.983 -0.480) 1.220======================= Grid point 4 (5/189) =======================q-point: ( 0.31 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.009 ( 0.776 -6.648 2.037) 6.997 1.086 ( -0.002 -5.092 1.867) 5.423 1.131 ( -1.556 -1.940 2.745) 3.704 1.165 ( -2.755 -4.826 -0.294) 5.564 1.234 ( -0.283 -1.867 -0.190) 1.898 1.251 ( 1.699 -6.412 -0.525) 6.654 1.384 ( -1.868 -4.835 -2.725) 5.856 1.468 ( -1.479 -4.804 -0.105) 5.028 1.663 ( 1.375 -1.637 3.677) 4.253 1.679 ( 1.173 -1.532 0.734) 2.064 1.905 ( -1.667 4.094 -1.407) 4.639 2.041 ( -3.268 5.868 3.285) 7.477 2.127 ( 1.163 -3.140 -5.079) 6.084 2.369 ( 2.529 2.922 1.286) 4.073 2.534 ( -2.958 -4.059 -1.188) 5.161 2.683 ( 0.654 -4.629 2.048) 5.104 2.749 ( 0.973 -6.024 -3.026) 6.811 2.903 ( 0.707 -9.162 -0.116) 9.190 4.116 ( -2.269 7.507 -0.491) 7.857 4.339 ( -3.021 3.447 -0.728) 4.641 4.769 ( -10.229 4.701 0.585) 11.273 4.874 ( -3.549 15.758 10.686) 19.368 5.228 ( -8.554 1.852 -2.833) 9.199 5.369 ( -9.264 0.684 2.642) 9.657 5.759 ( -6.133 -9.492 -1.698) 11.427 5.998 ( -3.663 1.041 -5.281) 6.511 6.111 ( -0.941 1.985 2.962) 3.687 6.201 ( 3.631 -3.162 -2.188) 5.289 6.245 ( -6.918 -3.911 -1.218) 8.040 6.434 ( -3.276 -0.372 -7.421) 8.120 6.503 ( -0.210 4.512 0.739) 4.577 6.594 ( 2.167 5.781 1.313) 6.312 6.841 ( 1.576 -5.533 0.236) 5.758 6.996 ( -2.159 4.051 -3.677) 5.881 7.574 ( -1.073 0.168 3.424) 3.592 7.685 ( 0.541 2.592 1.007) 2.833 7.897 ( -0.402 1.470 -0.521) 1.610 8.019 ( 1.431 1.387 0.291) 2.013 8.899 ( 2.174 0.962 3.757) 4.446 9.090 ( 0.969 1.444 0.666) 1.862 9.969 ( 0.035 0.733 -1.633) 1.791 10.065 ( 0.352 0.472 -0.437) 0.733======================= Grid point 5 (6/189) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( 0.641 -1.215 0.187) 1.386 1.146 ( -1.867 -1.220 1.404) 2.636 1.182 ( 0.936 -1.897 1.784) 2.767 1.207 ( -3.064 -1.047 0.195) 3.244 1.320 ( 0.234 -7.210 1.003) 7.284 1.375 ( 0.380 -5.558 -0.622) 5.605 1.449 ( -2.250 -4.082 -1.500) 4.897 1.577 ( -2.023 -6.014 1.378) 6.493 1.686 ( 2.034 0.388 1.025) 2.311 1.703 ( 2.844 0.286 -0.030) 2.858 1.798 ( -0.942 5.294 -0.176) 5.380 1.913 ( -0.236 6.911 4.540) 8.273 2.083 ( -1.047 4.580 -5.400) 7.158 2.220 ( 0.419 8.721 -1.934) 8.943 2.658 ( -1.752 -6.163 2.351) 6.824 2.778 ( 0.282 -4.097 0.931) 4.211 2.858 ( 1.116 -4.921 -3.692) 6.253 3.059 ( 0.436 -6.571 0.529) 6.606 4.040 ( -3.877 -1.571 0.425) 4.204 4.284 ( -4.413 -0.164 -1.226) 4.584 4.549 ( -9.639 9.765 2.101) 13.881 4.636 ( -6.722 11.020 8.830) 15.639 5.090 ( -5.444 5.062 -1.668) 7.619 5.378 ( -9.452 -4.678 1.774) 10.695 5.859 ( -5.634 -4.586 -4.622) 8.610 5.944 ( -3.448 1.266 -3.443) 5.035 6.069 ( -1.414 1.159 -2.054) 2.750 6.220 ( -1.296 -0.767 -0.034) 1.506 6.308 ( -1.822 -3.900 0.448) 4.327 6.382 ( -0.425 2.265 -1.539) 2.771 6.452 ( 1.116 2.648 1.214) 3.119 6.563 ( 1.814 -0.791 -1.318) 2.378 6.871 ( 0.830 5.020 -1.731) 5.374 6.913 ( -0.839 0.488 -0.770) 1.239 7.567 ( -1.754 0.757 4.274) 4.681 7.646 ( 0.084 2.231 0.672) 2.331 7.874 ( -0.207 0.445 -1.253) 1.346 8.006 ( 1.275 0.692 -0.701) 1.612 8.910 ( 1.860 0.331 2.943) 3.497 9.076 ( 0.924 0.775 0.546) 1.324 9.952 ( -0.139 0.499 -1.275) 1.376 10.058 ( 0.167 0.268 -0.333) 0.459======================= Grid point 6 (7/189) =======================q-point: ( 0.46 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 0.312 -0.243 0.000) 0.395 1.156 ( -0.651 -0.291 0.506) 0.874 1.185 ( -0.760 0.391 0.343) 0.921 1.222 ( -0.177 -0.700 0.296) 0.781 1.434 ( 0.023 -3.754 0.451) 3.781 1.481 ( -0.759 -0.798 -0.315) 1.145 1.500 ( -0.664 -6.627 -0.257) 6.665 1.628 ( -0.428 1.494 1.803) 2.380 1.674 ( 0.427 2.875 -0.118) 2.909 1.699 ( 0.759 -0.493 -0.798) 1.207 1.731 ( 0.564 1.609 -1.110) 2.034 1.854 ( 2.380 -0.151 5.810) 6.280 1.960 ( -2.149 4.703 -4.937) 7.149 2.091 ( 0.485 3.914 -0.850) 4.035 2.737 ( -0.844 -2.213 1.397) 2.749 2.836 ( -0.235 -1.640 -0.080) 1.659 2.911 ( 0.468 -1.297 -2.027) 2.452 3.154 ( 0.053 -2.638 0.598) 2.705 4.110 ( -1.295 -5.401 0.390) 5.568 4.290 ( -2.108 -2.687 -1.610) 3.776 4.371 ( -4.246 4.926 1.177) 6.609 4.425 ( -3.569 8.775 4.459) 10.471 5.001 ( -1.704 1.657 -1.060) 2.602 5.426 ( -3.988 -2.915 1.607) 5.194 5.845 ( -1.293 1.101 -3.371) 3.775 5.904 ( -2.316 0.323 -1.087) 2.579 6.059 ( -0.911 -0.815 -1.350) 1.821 6.233 ( -0.872 -0.724 0.661) 1.312 6.328 ( -0.029 0.610 -0.128) 0.624 6.387 ( 0.512 -1.022 2.877) 3.096 6.426 ( -0.293 -0.117 -1.796) 1.823 6.585 ( 0.884 -0.621 -0.746) 1.313 6.768 ( 0.184 3.731 -1.573) 4.053 6.895 ( -0.053 0.987 0.405) 1.068 7.567 ( -2.194 -0.830 4.161) 4.776 7.601 ( 1.309 2.386 -2.107) 3.442 7.868 ( -0.173 -0.119 -0.433) 0.481 8.001 ( 0.667 0.220 -0.458) 0.838 8.920 ( 0.723 0.066 1.105) 1.323 9.071 ( 0.372 0.246 0.214) 0.495 9.942 ( -0.079 0.176 -0.477) 0.515 10.054 ( 0.050 0.092 -0.124) 0.162======================= Grid point 14 (8/189) =======================q-point: ( 0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.191 ( 16.305 0.000 0.922) 16.332 0.217 ( 11.828 0.000 13.901) 18.252 0.297 ( 16.353 0.000 19.985) 25.823 0.592 ( 3.819 0.000 -0.036) 3.819 0.888 ( 0.371 0.000 1.125) 1.184 1.165 ( -1.182 -0.000 -0.025) 1.182 1.192 ( -3.084 -0.000 1.159) 3.295 1.262 ( 0.521 0.000 -0.151) 0.543 1.368 ( -1.615 -0.000 -0.022) 1.615 1.439 ( -3.599 -0.000 -3.709) 5.168 1.499 ( -1.998 -0.000 0.249) 2.013 1.547 ( 0.158 0.000 0.046) 0.165 1.694 ( 0.522 0.000 2.351) 2.408 2.170 ( 7.421 0.000 -15.197) 16.912 2.466 ( -0.825 -0.000 1.045) 1.331 2.697 ( 0.202 0.000 -3.370) 3.376 2.770 ( -1.163 -0.000 4.021) 4.186 2.800 ( 0.740 0.000 3.994) 4.062 3.256 ( 3.524 0.000 -1.462) 3.815 3.556 ( 2.206 0.000 2.021) 2.992 4.192 ( 7.722 0.000 -0.831) 7.766 4.702 ( 4.164 0.000 0.287) 4.174 4.934 ( -4.932 -0.000 17.614) 18.292 5.064 ( 5.466 0.000 3.056) 6.262 5.772 ( 5.098 0.000 0.313) 5.108 6.222 ( -3.797 -0.000 -0.056) 3.798 6.280 ( 1.494 0.000 -0.298) 1.523 6.314 ( -3.651 -0.000 -0.008) 3.651 6.352 ( 24.914 0.000 -50.330) 56.159 6.408 ( 1.071 0.000 0.313) 1.116 6.740 ( -0.004 -0.000 2.430) 2.430 6.783 ( -0.228 -0.000 -2.734) 2.744 7.010 ( -0.071 -0.000 -0.319) 0.327 7.310 ( -12.188 -0.000 -4.629) 13.037 7.581 ( -8.277 -0.000 16.653) 18.596 7.899 ( 2.579 0.000 -4.923) 5.558 8.004 ( 5.311 0.000 -2.789) 5.999 8.300 ( -10.835 -0.000 25.754) 27.940 8.982 ( 0.100 0.000 1.445) 1.448 9.216 ( -0.129 -0.000 0.662) 0.674 10.059 ( -5.722 -0.000 10.453) 11.916 10.186 ( 2.593 0.000 -5.485) 6.067======================= Grid point 15 (9/189) =======================q-point: ( 0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.411 ( 5.614 -12.793 4.161) 14.577 0.450 ( 6.486 -6.720 20.290) 22.337 0.702 ( 10.724 -20.966 -1.215) 23.580 0.794 ( 2.649 -13.309 -0.554) 13.582 0.922 ( 4.306 -3.889 -0.370) 5.814 1.152 ( -2.773 0.813 2.011) 3.520 1.208 ( -0.727 -5.184 0.898) 5.311 1.247 ( -2.618 1.923 -0.656) 3.314 1.381 ( -0.995 -4.301 0.293) 4.424 1.407 ( -2.218 -0.528 -4.413) 4.967 1.552 ( -1.652 -4.541 2.154) 5.290 1.615 ( 0.063 -7.037 3.012) 7.654 1.795 ( -0.705 -10.564 -0.773) 10.616 2.121 ( 4.017 -2.564 -2.920) 5.589 2.416 ( -1.021 3.022 0.734) 3.273 2.645 ( 1.089 2.441 -5.657) 6.256 2.720 ( -0.665 0.996 1.251) 1.731 2.792 ( 4.155 2.053 0.616) 4.675 3.967 ( 0.616 -34.625 3.369) 34.794 4.299 ( 2.287 -13.308 -5.012) 14.403 4.570 ( -22.435 -40.409 -18.259) 49.695 4.742 ( -2.336 -7.026 1.596) 7.574 4.980 ( 1.583 -0.449 3.605) 3.962 5.118 ( 4.843 -1.597 7.854) 9.365 5.780 ( 6.314 2.900 0.110) 6.949 6.015 ( -2.984 7.746 -9.553) 12.656 6.197 ( -2.963 5.081 -0.101) 5.883 6.243 ( -2.509 3.829 2.433) 5.185 6.357 ( -1.327 4.833 0.215) 5.017 6.524 ( 2.633 -6.025 -19.563) 20.639 6.717 ( -0.633 4.129 -2.681) 4.964 6.744 ( 1.285 1.984 1.896) 3.030 6.974 ( 0.071 3.553 -0.506) 3.589 7.191 ( -7.690 2.423 -9.782) 12.677 7.562 ( -3.804 1.426 12.522) 13.164 7.885 ( 1.956 1.712 -0.005) 2.599 7.992 ( 3.430 2.658 -0.221) 4.345 8.234 ( 1.749 6.027 11.124) 12.772 8.974 ( 0.250 1.327 2.317) 2.681 9.201 ( -0.054 1.612 0.739) 1.774 10.030 ( 0.267 1.805 2.625) 3.197 10.146 ( 1.763 2.393 -1.782) 3.466======================= Grid point 16 (10/189) =======================q-point: ( 0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 3.900 -8.293 13.005) 15.910 0.696 ( 1.829 -12.915 1.660) 13.150 0.944 ( 1.706 -5.620 -2.201) 6.272 1.036 ( 2.450 -8.343 -2.032) 8.929 1.090 ( 2.258 -6.198 2.172) 6.946 1.147 ( -1.228 -1.673 0.912) 2.266 1.212 ( -2.627 -1.692 -1.941) 3.679 1.369 ( -0.212 -9.205 -1.286) 9.297 1.399 ( -1.990 -1.881 -1.277) 3.021 1.582 ( 2.424 -13.916 0.989) 14.160 1.619 ( 0.950 -4.420 5.035) 6.766 1.840 ( -1.476 -13.955 1.998) 14.174 1.968 ( -0.547 -5.570 0.438) 5.614 2.230 ( -1.507 -7.502 -4.792) 9.028 2.380 ( 1.988 -1.183 0.715) 2.421 2.609 ( 0.222 -0.151 -6.721) 6.726 2.700 ( -0.060 1.684 0.673) 1.814 2.764 ( 2.050 2.627 1.953) 3.862 4.430 ( 4.988 0.246 0.182) 4.997 4.626 ( -0.079 -2.519 1.668) 3.022 4.654 ( 0.570 -19.242 -1.456) 19.305 4.905 ( -5.268 0.861 2.075) 5.728 5.179 ( -11.899 -19.867 -1.303) 23.194 5.230 ( 4.625 -5.778 1.873) 7.634 5.684 ( -0.642 9.568 -1.623) 9.726 5.930 ( -6.281 -4.022 -5.766) 9.427 6.094 ( -0.409 2.472 0.228) 2.516 6.159 ( -4.107 3.660 2.799) 6.172 6.249 ( -2.255 4.403 1.163) 5.082 6.498 ( -1.637 2.967 -9.583) 10.165 6.630 ( 0.256 1.820 -6.420) 6.678 6.702 ( -0.145 3.461 2.176) 4.091 6.879 ( 0.770 6.202 0.184) 6.252 7.090 ( -5.701 1.384 -8.573) 10.388 7.559 ( -2.762 0.340 7.839) 8.318 7.845 ( 4.258 4.430 -0.769) 6.192 7.953 ( -0.793 1.793 1.103) 2.250 8.159 ( 2.878 5.821 5.257) 8.355 8.955 ( 0.793 1.655 3.180) 3.672 9.165 ( 0.258 2.237 0.731) 2.368 10.008 ( 0.886 1.321 -0.609) 1.703 10.107 ( 1.014 1.943 -0.925) 2.379======================= Grid point 17 (11/189) =======================q-point: ( 0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( 2.334 -8.237 6.953) 11.029 0.931 ( -1.439 -10.645 1.325) 10.823 1.043 ( 0.147 -5.032 -0.823) 5.101 1.119 ( -0.847 -0.959 1.277) 1.807 1.161 ( 0.835 -3.952 0.177) 4.044 1.197 ( -0.549 -2.616 0.057) 2.673 1.275 ( -0.221 -4.684 -2.773) 5.447 1.398 ( -1.317 -1.860 -2.004) 3.034 1.570 ( -0.233 -8.437 3.108) 8.994 1.663 ( -0.055 -2.174 1.935) 2.911 1.885 ( -0.934 -8.280 -0.752) 8.367 2.003 ( -0.712 -2.161 -4.413) 4.965 2.078 ( -0.369 -7.124 5.852) 9.226 2.304 ( 2.119 -4.908 1.886) 5.669 2.523 ( -1.233 -6.566 -2.515) 7.138 2.590 ( -0.661 -0.446 -6.284) 6.334 2.670 ( 1.920 -0.617 -0.203) 2.027 2.771 ( 0.292 -3.138 2.290) 3.896 4.311 ( 1.275 11.870 -1.661) 12.053 4.453 ( -0.153 9.521 -0.431) 9.532 4.816 ( -5.763 5.093 1.192) 7.783 5.035 ( -6.350 -12.051 2.860) 13.919 5.173 ( -6.610 11.251 2.764) 13.339 5.421 ( -7.261 -0.517 5.981) 9.422 5.511 ( -10.389 -5.950 -5.921) 13.357 5.977 ( -4.648 -1.433 -5.139) 7.076 6.085 ( -3.678 -3.890 0.992) 5.445 6.156 ( 1.334 -3.672 0.437) 3.931 6.180 ( -0.619 3.131 2.556) 4.089 6.398 ( -2.643 2.496 -9.821) 10.472 6.588 ( -0.801 3.665 0.265) 3.760 6.696 ( 1.745 -3.673 -0.430) 4.089 6.763 ( 1.366 5.071 0.636) 5.290 7.016 ( -4.363 1.435 -5.925) 7.496 7.570 ( -1.925 -0.776 5.134) 5.538 7.762 ( 2.001 5.166 -1.214) 5.671 7.928 ( -0.461 1.141 1.606) 2.023 8.082 ( 1.982 4.427 1.782) 5.167 8.943 ( 1.292 1.282 3.448) 3.899 9.129 ( 0.703 1.941 0.744) 2.195 9.984 ( 0.608 1.210 -1.643) 2.129 10.080 ( 0.742 1.107 -0.609) 1.465======================= Grid point 18 (12/189) =======================q-point: ( 0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.025 ( -0.164 -4.708 1.540) 4.956 1.087 ( -1.739 -5.944 2.643) 6.733 1.127 ( -2.854 -2.880 -0.582) 4.096 1.151 ( 0.636 -3.958 3.621) 5.402 1.227 ( -0.601 -1.891 -0.439) 2.032 1.265 ( 1.449 -5.937 -0.458) 6.129 1.353 ( -0.977 -4.323 -2.500) 5.089 1.453 ( -1.298 -5.150 0.011) 5.311 1.690 ( 0.507 -3.321 2.337) 4.092 1.698 ( 0.821 -0.785 1.293) 1.721 1.873 ( -2.547 3.433 -1.699) 4.600 2.008 ( -4.138 1.391 0.666) 4.416 2.136 ( 2.914 1.918 -0.996) 3.628 2.386 ( 0.816 7.881 -2.370) 8.270 2.510 ( -1.485 -8.394 2.150) 8.792 2.693 ( -0.602 -5.503 1.320) 5.691 2.746 ( 1.997 -5.682 -3.235) 6.837 2.909 ( 0.737 -9.045 -0.201) 9.077 4.085 ( -2.537 8.688 -0.805) 9.087 4.294 ( -3.992 5.121 -1.650) 6.699 4.632 ( -14.230 8.001 -0.780) 16.343 4.876 ( -8.367 14.083 8.534) 18.471 5.125 ( -7.975 -0.337 1.038) 8.050 5.276 ( -9.999 2.500 2.092) 10.517 5.659 ( -8.907 -9.563 -3.178) 13.449 5.935 ( -2.718 0.588 -3.849) 4.748 6.117 ( -0.666 3.570 1.987) 4.140 6.161 ( -6.147 -3.408 -1.670) 7.225 6.226 ( 2.894 -3.411 -1.452) 4.703 6.366 ( -2.123 -2.402 -4.060) 5.173 6.521 ( 1.775 2.898 0.836) 3.500 6.629 ( 2.220 5.913 1.241) 6.436 6.854 ( 0.876 -5.692 -0.157) 5.761 6.942 ( -2.876 2.883 -4.387) 5.986 7.589 ( -0.661 0.103 4.290) 4.342 7.682 ( -1.531 2.774 0.004) 3.168 7.904 ( 1.444 2.074 0.442) 2.566 8.030 ( 0.732 1.935 -0.378) 2.103 8.940 ( 1.285 0.854 2.712) 3.120 9.105 ( 0.965 1.393 0.681) 1.827 9.962 ( 0.359 0.887 -1.397) 1.693 10.066 ( 0.449 0.605 -0.484) 0.896======================= Grid point 19 (13/189) =======================q-point: ( 0.46 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.079 ( -0.273 -1.562 0.103) 1.589 1.136 ( -1.289 -1.201 1.167) 2.114 1.174 ( -3.308 -2.389 0.518) 4.114 1.200 ( 0.513 -0.819 1.256) 1.584 1.331 ( 0.316 -7.241 1.775) 7.462 1.373 ( 0.109 -4.831 -0.837) 4.904 1.422 ( -1.285 -4.367 -1.074) 4.677 1.559 ( -2.280 -5.921 0.389) 6.357 1.698 ( 1.068 0.840 -1.539) 2.053 1.739 ( 2.771 -0.019 0.622) 2.840 1.783 ( -1.591 4.020 0.362) 4.338 1.940 ( -0.026 4.169 4.387) 6.052 2.046 ( -0.203 6.503 -4.166) 7.726 2.210 ( -0.123 7.966 -2.011) 8.217 2.658 ( -1.234 -5.806 3.095) 6.694 2.776 ( -0.711 -3.909 -0.751) 4.043 2.857 ( 2.295 -4.475 -2.591) 5.657 3.067 ( 0.184 -6.537 0.827) 6.591 4.002 ( -3.473 -2.219 0.715) 4.183 4.219 ( -5.243 -0.693 -2.693) 5.935 4.413 ( -14.003 5.063 -0.224) 14.892 4.607 ( -8.595 11.386 5.947) 15.456 5.027 ( -4.563 3.580 -0.040) 5.800 5.293 ( -8.532 -6.278 3.146) 11.051 5.748 ( -7.532 -6.297 -5.404) 11.206 5.897 ( -2.927 0.683 -2.144) 3.692 6.059 ( 0.466 2.046 0.337) 2.126 6.179 ( -4.503 -2.860 -0.572) 5.365 6.317 ( 2.299 -3.452 0.504) 4.178 6.376 ( 0.203 -0.525 -0.048) 0.565 6.479 ( 1.766 3.775 1.997) 4.621 6.584 ( 3.166 0.398 -1.152) 3.392 6.845 ( -1.923 4.404 -3.344) 5.854 6.908 ( -0.256 -0.065 -0.010) 0.264 7.575 ( -1.589 1.429 4.271) 4.776 7.640 ( -1.287 1.456 0.048) 1.944 7.878 ( 1.816 1.226 -0.501) 2.248 8.009 ( 0.313 0.592 -1.104) 1.291 8.936 ( 0.579 0.767 1.106) 1.465 9.088 ( 0.771 1.028 0.435) 1.357 9.947 ( 0.289 0.474 -0.588) 0.809 10.058 ( 0.220 0.320 -0.306) 0.495======================= Grid point 20 (14/189) =======================q-point: ( 0.54 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.094 ( 0.284 -0.078 0.149) 0.330 1.151 ( -0.587 -0.729 -0.086) 0.940 1.182 ( -0.323 -0.266 0.813) 0.914 1.222 ( -0.171 -0.699 0.022) 0.720 1.436 ( -0.172 -3.709 0.715) 3.781 1.469 ( -1.027 -1.059 -0.336) 1.513 1.491 ( -0.597 -6.977 -0.294) 7.009 1.628 ( -0.990 -0.274 0.493) 1.140 1.665 ( -1.307 2.344 -1.432) 3.042 1.700 ( 1.516 1.082 -1.927) 2.680 1.733 ( 0.338 2.597 -0.166) 2.625 1.898 ( -0.877 4.796 -0.699) 4.925 1.930 ( 1.887 0.116 2.427) 3.076 2.091 ( 0.075 3.616 -0.379) 3.636 2.735 ( -0.792 -2.184 0.907) 2.494 2.834 ( -0.015 -2.189 -0.236) 2.202 2.916 ( 1.772 -1.249 -0.277) 2.185 3.155 ( -0.404 -2.318 0.571) 2.421 4.106 ( -0.198 -6.951 1.053) 7.033 4.240 ( -3.398 -4.922 -4.167) 7.289 4.311 ( -6.069 -0.649 -0.480) 6.123 4.403 ( -4.359 6.425 1.656) 7.939 4.981 ( -1.568 -0.477 0.390) 1.685 5.391 ( -4.257 -5.950 1.579) 7.484 5.791 ( -1.823 -3.261 -5.363) 6.536 5.896 ( -3.043 -2.528 3.734) 5.440 6.052 ( 1.132 -0.359 0.716) 1.387 6.212 ( -2.704 -2.373 -0.295) 3.609 6.346 ( 3.116 0.783 -0.528) 3.256 6.416 ( 1.507 1.432 2.405) 3.179 6.439 ( 2.830 -0.599 0.949) 3.044 6.596 ( 2.117 0.301 -1.187) 2.446 6.752 ( -1.720 2.467 -0.499) 3.049 6.885 ( -1.425 0.873 -0.740) 1.828 7.567 ( -2.321 -0.615 4.136) 4.783 7.598 ( 0.833 2.112 -2.630) 3.474 7.875 ( 1.550 0.115 0.008) 1.554 7.998 ( -0.517 0.284 -0.747) 0.952 8.921 ( -0.557 0.838 -0.836) 1.308 9.075 ( 0.213 0.707 0.049) 0.740 9.944 ( 0.341 0.055 0.312) 0.465 10.054 ( 0.072 0.093 -0.071) 0.137======================= Grid point 21 (15/189) =======================q-point: (-0.38 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( -0.350 0.746 -0.056) 0.826 1.159 ( 0.600 -0.236 -0.901) 1.108 1.192 ( 0.402 0.018 -0.006) 0.403 1.226 ( 0.910 -0.006 -0.078) 0.914 1.430 ( -0.175 3.665 -0.207) 3.675 1.485 ( -0.439 4.140 0.014) 4.164 1.510 ( 1.057 1.720 0.188) 2.028 1.620 ( 0.438 -2.281 -1.968) 3.044 1.664 ( -0.863 -2.011 -0.527) 2.251 1.684 ( -1.816 -0.189 -0.842) 2.011 1.733 ( -0.617 -0.190 1.580) 1.706 1.800 ( -1.279 0.066 -4.989) 5.151 2.013 ( 1.866 -4.699 4.896) 7.038 2.092 ( -0.299 -3.889 0.978) 4.021 2.738 ( 0.819 1.823 -1.141) 2.301 2.839 ( 0.327 2.024 0.002) 2.051 2.927 ( 0.620 1.391 2.573) 2.990 3.148 ( -0.390 2.842 -0.409) 2.897 4.128 ( 1.781 4.093 0.240) 4.470 4.305 ( 0.353 -1.176 -0.720) 1.423 4.360 ( -0.432 -7.685 -7.256) 10.577 4.456 ( 4.459 -11.422 -0.810) 12.288 5.029 ( 1.683 -4.034 1.777) 4.718 5.457 ( 2.867 -1.135 -1.018) 3.247 5.857 ( 1.084 -4.524 -0.429) 4.672 5.966 ( 1.381 -2.530 7.782) 8.299 6.070 ( 0.258 -0.652 0.711) 0.998 6.226 ( -0.784 -0.282 -1.075) 1.360 6.347 ( 3.073 0.293 -0.194) 3.093 6.382 ( 2.469 2.446 -1.991) 4.005 6.456 ( 1.975 1.725 2.862) 3.881 6.588 ( 0.734 0.934 0.760) 1.410 6.765 ( -2.382 -4.297 1.969) 5.293 6.883 ( -1.004 -1.901 -1.364) 2.545 7.565 ( 1.785 0.756 -3.831) 4.294 7.596 ( -1.684 -2.114 1.622) 3.153 7.884 ( 1.812 0.142 0.730) 1.958 7.989 ( -1.691 -0.221 0.181) 1.715 8.895 ( -1.620 0.702 -2.466) 3.032 9.065 ( -0.432 0.211 -0.308) 0.571 9.950 ( 0.383 -0.288 0.986) 1.096 10.055 ( -0.018 -0.099 0.145) 0.176======================= Grid point 22 (16/189) =======================q-point: (-0.31 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.066 ( -0.693 1.180 -0.361) 1.415 1.156 ( 0.593 1.820 -1.020) 2.169 1.163 ( 0.038 1.956 -1.597) 2.526 1.236 ( 2.261 0.579 -0.013) 2.334 1.312 ( -0.365 6.998 -0.538) 7.028 1.372 ( -0.604 5.918 0.273) 5.955 1.488 ( 2.898 3.434 1.911) 4.883 1.589 ( 1.684 6.069 -1.130) 6.399 1.642 ( -2.972 0.187 -2.904) 4.159 1.681 ( -2.117 -0.789 0.680) 2.359 1.804 ( 0.058 -6.911 0.119) 6.912 1.894 ( 0.544 -7.994 -3.246) 8.645 2.130 ( 1.547 -4.129 5.152) 6.781 2.221 ( -0.926 -8.536 0.678) 8.613 2.668 ( 2.127 5.819 -1.322) 6.335 2.763 ( -1.210 5.084 -0.858) 5.296 2.871 ( -0.135 5.406 2.634) 6.015 3.052 ( -0.447 6.529 -0.155) 6.546 4.077 ( 3.021 1.282 -0.160) 3.286 4.329 ( 2.871 -0.732 0.367) 2.986 4.552 ( 0.566 -14.506 -8.772) 16.962 4.705 ( 8.568 -9.207 -1.305) 12.644 5.153 ( 4.200 -6.591 0.985) 7.877 5.467 ( 7.576 2.604 -0.604) 8.034 5.918 ( 2.520 1.872 2.479) 4.000 6.009 ( 2.670 0.314 3.250) 4.218 6.104 ( 1.480 -1.585 2.787) 3.531 6.213 ( -1.129 0.644 -0.144) 1.308 6.342 ( 4.561 2.398 -1.251) 5.302 6.398 ( 0.172 -4.119 1.595) 4.420 6.444 ( -0.368 -0.370 0.750) 0.913 6.572 ( 2.025 1.445 2.680) 3.657 6.846 ( -3.648 -3.503 -1.141) 5.185 6.934 ( 0.995 -3.527 1.661) 4.024 7.563 ( 1.848 -0.474 -3.544) 4.025 7.631 ( -1.593 -2.229 -0.754) 2.841 7.896 ( 1.990 -0.005 1.595) 2.550 7.991 ( -1.940 -0.820 0.203) 2.116 8.867 ( -2.093 0.069 -3.199) 3.824 9.063 ( -0.790 -0.552 -0.485) 1.078 9.963 ( 0.296 -0.498 1.260) 1.387 10.058 ( -0.092 -0.225 0.267) 0.361======================= Grid point 23 (17/189) =======================q-point: (-0.23 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.989 ( -0.616 8.371 -1.443) 8.516 1.069 ( -0.724 3.315 -1.212) 3.603 1.142 ( 2.106 1.994 -1.428) 3.232 1.190 ( 1.589 4.662 -0.030) 4.926 1.234 ( -0.814 5.716 0.048) 5.774 1.238 ( -0.767 3.387 0.554) 3.517 1.422 ( 2.027 5.728 1.982) 6.392 1.488 ( 1.484 4.044 1.069) 4.439 1.618 ( -2.490 0.210 -3.695) 4.460 1.666 ( -0.621 2.284 -0.469) 2.413 1.927 ( 0.983 -4.657 1.083) 4.882 2.039 ( 0.619 -6.153 -2.764) 6.773 2.168 ( 1.729 4.019 5.268) 6.847 2.326 ( -2.633 -0.038 -2.745) 3.803 2.578 ( 2.844 2.081 2.154) 4.130 2.658 ( -1.515 3.529 -1.978) 4.320 2.758 ( -0.170 6.123 1.825) 6.391 2.895 ( -0.601 9.485 -0.149) 9.505 4.138 ( 1.292 -6.441 0.199) 6.573 4.368 ( 1.673 -2.183 0.269) 2.764 4.828 ( 2.626 -8.108 -5.637) 10.218 4.865 ( 3.711 -10.804 -1.686) 11.548 5.323 ( 5.293 -6.535 2.100) 8.667 5.437 ( 5.409 3.374 -1.834) 6.634 5.819 ( 3.688 9.196 1.117) 9.971 6.052 ( 0.269 -2.670 2.319) 3.547 6.108 ( 2.332 2.347 -1.721) 3.729 6.175 ( -3.030 2.928 1.286) 4.405 6.314 ( 4.286 2.649 0.533) 5.066 6.471 ( -0.979 -3.258 1.784) 3.841 6.533 ( -0.183 -7.339 1.673) 7.530 6.607 ( 6.633 -1.712 3.787) 7.827 6.810 ( -3.424 3.963 -1.724) 5.514 7.028 ( 0.741 -4.393 1.782) 4.798 7.571 ( 1.303 -0.233 -1.885) 2.304 7.662 ( -1.943 -2.548 -1.280) 3.451 7.917 ( 1.867 -0.717 1.349) 2.412 7.996 ( -1.849 -0.879 -0.907) 2.239 8.856 ( -1.682 -1.084 -2.723) 3.379 9.077 ( -0.627 -1.504 -0.434) 1.686 9.978 ( 0.056 -0.556 1.074) 1.211 10.064 ( -0.191 -0.366 0.261) 0.489======================= Grid point 24 (18/189) =======================q-point: (-0.15 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( -0.800 12.364 -2.160) 12.576 0.948 ( 0.487 11.274 -0.323) 11.289 1.059 ( 1.038 5.685 -0.482) 5.799 1.113 ( -0.949 3.011 0.391) 3.182 1.163 ( 1.107 1.876 0.385) 2.212 1.181 ( -1.189 3.601 -0.516) 3.827 1.327 ( 1.128 4.756 0.852) 4.962 1.458 ( 1.007 0.704 2.146) 2.473 1.543 ( -0.119 6.830 -1.813) 7.068 1.604 ( -1.477 2.330 -1.524) 3.151 1.891 ( -0.534 17.561 0.698) 17.583 1.982 ( -0.106 0.885 -0.731) 1.152 2.140 ( 2.757 10.255 0.532) 10.632 2.232 ( -2.220 -3.403 -0.711) 4.125 2.555 ( 0.299 9.254 0.323) 9.264 2.634 ( -0.218 -1.566 -0.302) 1.609 2.678 ( -0.040 1.937 3.387) 3.902 2.743 ( 0.157 2.407 -1.851) 3.040 4.295 ( -0.491 -7.358 -0.032) 7.375 4.454 ( 0.020 -7.117 -0.072) 7.118 4.868 ( 0.979 -0.648 -0.772) 1.405 5.050 ( 0.840 0.820 -2.291) 2.574 5.311 ( 2.118 8.302 1.801) 8.755 5.510 ( 4.254 -5.917 -1.587) 7.458 5.628 ( -1.512 11.224 0.454) 11.334 6.065 ( -0.447 0.344 -0.458) 0.727 6.103 ( 1.093 -0.165 4.440) 4.575 6.140 ( 0.355 -2.172 -4.377) 4.899 6.285 ( 3.523 2.488 0.340) 4.326 6.527 ( 0.005 -1.221 2.709) 2.972 6.650 ( 3.366 -0.136 0.808) 3.464 6.697 ( -0.845 -8.271 -0.736) 8.347 6.750 ( 0.305 -0.726 3.648) 3.732 7.102 ( 0.016 -2.707 -0.304) 2.724 7.573 ( 0.918 0.272 -0.505) 1.083 7.709 ( -1.613 -3.708 -0.148) 4.046 7.954 ( 2.147 -1.650 1.083) 2.916 7.998 ( -2.638 -1.213 -2.420) 3.780 8.875 ( -0.733 -2.200 -1.382) 2.699 9.111 ( -0.233 -2.297 -0.237) 2.321 9.990 ( -0.164 -0.427 0.473) 0.658 10.075 ( -0.199 -0.907 0.184) 0.947======================= Grid point 25 (19/189) =======================q-point: (-0.08 0.08 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.513 ( -0.000 13.694 0.000) 13.694 0.678 ( -0.000 16.049 0.000) 16.049 0.964 ( -0.000 4.685 0.000) 4.685 1.005 ( -0.000 11.843 0.000) 11.843 1.024 ( -0.000 10.087 0.000) 10.087 1.165 ( -0.000 0.098 0.000) 0.098 1.275 ( -0.000 1.145 0.000) 1.145 1.374 ( -0.000 10.586 0.000) 10.586 1.472 ( 0.000 -1.063 -0.000) 1.063 1.512 ( -0.000 10.845 0.000) 10.845 1.567 ( -0.000 6.558 0.000) 6.558 1.846 ( -0.000 13.992 0.000) 13.992 1.957 ( -0.000 6.118 0.000) 6.118 2.297 ( -0.000 14.484 0.000) 14.484 2.332 ( 0.000 -5.427 -0.000) 5.427 2.639 ( -0.000 0.031 0.000) 0.031 2.699 ( 0.000 -2.308 -0.000) 2.308 2.746 ( 0.000 -0.345 -0.000) 0.345 4.360 ( -0.000 0.554 0.000) 0.554 4.605 ( 0.000 -5.963 -0.000) 5.963 4.673 ( -0.000 31.605 0.000) 31.605 4.941 ( 0.000 -1.752 -0.000) 1.752 5.118 ( -0.000 10.759 0.000) 10.759 5.379 ( -0.000 10.659 0.000) 10.659 5.653 ( 0.000 -5.334 -0.000) 5.334 6.116 ( 0.000 -4.749 -0.000) 4.749 6.141 ( 0.000 -3.366 -0.000) 3.366 6.209 ( 0.000 -4.863 -0.000) 4.863 6.274 ( 0.000 -0.521 -0.000) 0.521 6.588 ( 0.000 -6.071 -0.000) 6.071 6.691 ( 0.000 -2.553 -0.000) 2.553 6.764 ( -0.000 0.395 0.000) 0.395 6.863 ( 0.000 -7.681 -0.000) 7.681 7.127 ( 0.000 -0.338 -0.000) 0.338 7.573 ( 0.000 -0.028 -0.000) 0.028 7.775 ( 0.000 -3.359 -0.000) 3.359 7.981 ( -0.000 0.056 0.000) 0.056 8.037 ( 0.000 -4.506 -0.000) 4.506 8.918 ( 0.000 -2.508 -0.000) 2.508 9.157 ( 0.000 -2.475 -0.000) 2.475 9.995 ( 0.000 -0.177 -0.000) 0.177 10.100 ( 0.000 -1.721 -0.000) 1.721======================= Grid point 28 (20/189) =======================q-point: ( 0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.362 ( 14.080 0.000 0.501) 14.089 0.424 ( 11.276 0.000 12.422) 16.776 0.597 ( 16.562 0.000 18.636) 24.931 0.651 ( 6.686 0.000 0.078) 6.687 0.916 ( 4.627 0.000 -0.345) 4.640 1.146 ( -2.140 -0.000 -0.065) 2.141 1.164 ( -4.914 -0.000 4.976) 6.993 1.268 ( 0.780 0.000 -0.406) 0.879 1.342 ( -3.078 -0.000 0.018) 3.078 1.365 ( -5.006 -0.000 -4.837) 6.961 1.467 ( -2.325 -0.000 -1.927) 3.019 1.550 ( 0.368 0.000 0.236) 0.437 1.701 ( -1.316 -0.000 0.396) 1.374 2.145 ( 1.423 0.000 -9.865) 9.967 2.469 ( -0.226 -0.000 2.144) 2.156 2.669 ( 0.498 0.000 -7.240) 7.258 2.782 ( -0.275 -0.000 2.924) 2.937 2.849 ( 4.353 0.000 2.449) 4.995 3.293 ( 5.393 0.000 -2.980) 6.162 3.614 ( 5.191 0.000 4.022) 6.567 4.301 ( 13.039 0.000 -1.702) 13.149 4.772 ( 8.023 0.000 0.661) 8.050 5.002 ( 3.077 0.000 7.451) 8.062 5.178 ( 9.573 0.000 6.698) 11.683 5.852 ( 9.035 0.000 -0.052) 9.035 6.174 ( -4.493 -0.000 -0.613) 4.534 6.271 ( -4.174 -0.000 0.420) 4.195 6.286 ( -0.196 -0.000 -0.094) 0.217 6.303 ( 9.286 0.000 -28.219) 29.707 6.413 ( -0.482 -0.000 0.179) 0.515 6.738 ( -2.409 -0.000 1.214) 2.697 6.779 ( 1.703 0.000 -1.311) 2.149 7.004 ( -0.249 -0.000 -0.971) 1.002 7.107 ( -11.310 -0.000 -15.799) 19.430 7.596 ( -7.478 -0.000 16.386) 18.012 7.899 ( -1.510 -0.000 3.324) 3.651 8.052 ( 5.738 0.000 -2.302) 6.182 8.342 ( -2.362 -0.000 11.309) 11.553 8.995 ( -0.102 -0.000 2.409) 2.411 9.219 ( -0.295 -0.000 1.017) 1.059 10.060 ( -2.010 -0.000 3.512) 4.046 10.179 ( 1.177 0.000 -3.285) 3.490======================= Grid point 29 (21/189) =======================q-point: ( 0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( 8.998 -7.876 3.363) 12.422 0.641 ( 6.317 -5.387 17.958) 19.784 0.817 ( 10.035 -9.753 -0.652) 14.009 0.827 ( 4.724 -11.225 -0.773) 12.203 0.987 ( 7.011 -5.275 1.313) 8.872 1.133 ( -3.093 0.398 2.019) 3.715 1.197 ( -3.895 0.017 0.734) 3.963 1.215 ( -0.609 -2.545 -0.601) 2.685 1.358 ( -2.601 -1.667 -2.809) 4.175 1.393 ( 1.865 -7.243 3.083) 8.089 1.532 ( -2.673 -7.544 -0.084) 8.004 1.628 ( -1.351 -5.411 3.399) 6.531 1.771 ( -2.006 -10.687 -1.876) 11.034 2.117 ( 0.163 -1.285 -7.029) 7.147 2.424 ( 0.819 2.609 2.420) 3.651 2.611 ( 0.515 2.372 -8.252) 8.601 2.733 ( 1.264 2.225 1.493) 2.962 2.850 ( 4.802 2.821 1.729) 5.831 4.009 ( 2.510 -31.355 4.994) 31.850 4.100 ( -17.383 -48.475 -11.826) 52.838 4.477 ( 9.148 -10.868 -3.098) 14.540 4.807 ( 7.601 2.076 2.645) 8.312 5.033 ( 4.875 1.046 1.281) 5.148 5.244 ( 8.053 0.432 8.038) 11.386 5.854 ( 6.938 5.807 -1.664) 9.199 5.949 ( -0.911 10.676 -6.952) 12.772 6.160 ( -3.058 4.355 -0.273) 5.328 6.228 ( -2.470 3.090 1.694) 4.303 6.333 ( -2.822 5.784 -0.046) 6.436 6.442 ( -0.009 -4.686 -14.007) 14.770 6.696 ( -0.885 3.820 -0.870) 4.017 6.766 ( 0.398 1.906 1.082) 2.227 6.969 ( -0.209 3.111 -0.740) 3.205 7.016 ( -7.789 -0.998 -13.645) 15.743 7.594 ( -4.750 1.205 13.179) 14.060 7.898 ( -0.640 0.428 2.985) 3.083 8.031 ( 3.895 4.201 -1.631) 5.957 8.304 ( 1.023 5.361 7.054) 8.919 8.991 ( -0.135 0.931 2.751) 2.907 9.205 ( -0.191 1.500 0.908) 1.764 10.041 ( 0.034 1.535 0.649) 1.667 10.151 ( 1.250 2.139 -1.866) 3.102======================= Grid point 30 (22/189) =======================q-point: ( 0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( 3.847 -9.798 2.327) 10.780 0.797 ( 4.635 -4.327 12.035) 13.603 0.959 ( 3.409 -4.434 -2.292) 6.044 1.050 ( 1.971 -8.375 -1.062) 8.669 1.105 ( -2.509 -0.995 3.342) 4.296 1.139 ( -0.427 -1.822 -2.029) 2.760 1.193 ( 1.586 -4.228 -1.183) 4.668 1.343 ( -1.213 -4.186 -3.959) 5.888 1.391 ( -0.735 -8.140 2.979) 8.699 1.587 ( -1.094 -6.803 -0.518) 6.909 1.682 ( 3.082 -9.439 6.490) 11.862 1.842 ( -0.483 -15.906 3.386) 16.269 1.943 ( -3.084 -5.197 -2.761) 6.644 2.184 ( -1.685 -9.434 -3.916) 10.353 2.404 ( 1.833 0.103 0.075) 1.838 2.566 ( 0.335 0.015 -8.045) 8.052 2.709 ( 0.789 1.586 1.073) 2.071 2.807 ( 3.073 4.067 2.442) 5.651 4.480 ( 4.511 -0.399 -2.091) 4.988 4.621 ( -2.093 -15.711 1.302) 15.903 4.650 ( -0.478 -6.193 -3.729) 7.244 4.841 ( -6.782 -5.148 3.854) 9.346 5.081 ( -2.600 -11.440 -3.437) 12.225 5.288 ( 0.860 1.464 6.222) 6.449 5.633 ( -5.564 14.113 -3.156) 15.495 5.858 ( -3.268 -2.293 -3.652) 5.411 6.107 ( 1.510 2.674 0.270) 3.082 6.137 ( -0.745 2.925 1.433) 3.342 6.234 ( -2.155 2.431 1.456) 3.560 6.416 ( -2.134 2.163 -10.607) 11.033 6.615 ( 0.944 2.406 -0.116) 2.587 6.714 ( -0.028 3.545 1.019) 3.689 6.882 ( -0.987 5.325 -0.185) 5.419 6.973 ( -3.828 -0.867 -8.711) 9.554 7.580 ( -3.041 1.244 9.438) 9.994 7.877 ( 2.474 4.072 -1.152) 4.902 7.954 ( -0.395 2.864 1.210) 3.134 8.211 ( 1.871 6.505 3.450) 7.597 8.979 ( 0.021 1.102 2.714) 2.929 9.173 ( 0.185 1.989 0.762) 2.138 10.012 ( 0.801 1.631 -1.223) 2.190 10.113 ( 1.080 1.937 -0.915) 2.399======================= Grid point 31 (23/189) =======================q-point: ( 0.38 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.924 ( 0.037 -7.269 1.552) 7.433 0.944 ( 1.323 -6.594 5.920) 8.960 1.046 ( 1.662 -4.093 -0.588) 4.457 1.119 ( -1.125 -1.227 2.489) 2.995 1.172 ( 1.034 -4.458 0.125) 4.578 1.187 ( -0.954 -3.403 -0.358) 3.553 1.259 ( 0.383 -3.455 -3.042) 4.620 1.376 ( -0.852 -2.655 -1.641) 3.235 1.589 ( -0.105 -8.314 3.948) 9.205 1.666 ( -0.671 -3.132 1.060) 3.374 1.862 ( -2.361 -4.546 -1.196) 5.261 1.943 ( -4.135 -1.735 -4.051) 6.043 2.135 ( 2.755 -8.228 5.883) 10.483 2.339 ( 1.748 -6.342 2.748) 7.129 2.486 ( -1.345 -4.841 -4.771) 6.929 2.548 ( -0.377 -2.752 -5.626) 6.274 2.691 ( 1.963 0.098 -0.075) 1.967 2.792 ( 0.969 -2.096 2.297) 3.257 4.310 ( 1.232 14.266 -3.287) 14.692 4.441 ( -0.970 11.650 -1.840) 11.834 4.740 ( -8.356 9.550 -0.387) 12.695 4.951 ( -9.138 -8.792 -0.747) 12.703 5.143 ( -5.967 11.938 8.599) 15.877 5.348 ( -10.752 -1.483 -5.978) 12.391 5.379 ( -7.611 -6.085 6.284) 11.595 5.892 ( -5.042 -2.625 -4.949) 7.537 6.061 ( -1.041 -1.867 0.643) 2.232 6.177 ( -0.695 0.610 3.035) 3.173 6.199 ( 2.699 -0.617 -0.865) 2.900 6.318 ( -1.247 1.895 -7.489) 7.825 6.590 ( 0.262 3.136 1.091) 3.331 6.718 ( 1.600 -3.222 -0.369) 3.616 6.773 ( -0.352 3.501 0.501) 3.554 6.939 ( -2.655 0.581 -4.671) 5.404 7.584 ( -1.841 -0.600 6.469) 6.753 7.766 ( 0.794 6.288 -2.485) 6.808 7.939 ( 0.171 0.485 2.081) 2.144 8.108 ( 1.265 5.552 0.772) 5.746 8.968 ( 0.086 0.871 1.955) 2.142 9.141 ( 0.584 1.704 0.689) 1.929 9.983 ( 0.837 1.387 -1.358) 2.114 10.085 ( 0.785 1.253 -0.567) 1.583======================= Grid point 32 (24/189) =======================q-point: ( 0.46 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( -1.518 -3.593 0.886) 4.000 1.068 ( -3.659 -5.701 0.280) 6.780 1.114 ( 0.061 -1.479 2.054) 2.532 1.186 ( 1.092 -3.433 3.924) 5.327 1.217 ( -0.366 -3.196 -0.358) 3.236 1.278 ( 1.472 -5.484 -0.462) 5.697 1.332 ( -0.229 -4.203 -2.003) 4.662 1.438 ( -1.327 -4.922 -0.672) 5.142 1.704 ( 0.604 -0.986 -0.180) 1.170 1.713 ( 0.187 -3.495 2.573) 4.344 1.829 ( -3.423 1.963 -1.540) 4.236 1.970 ( -3.189 -1.209 0.179) 3.415 2.165 ( 2.449 4.852 0.485) 5.457 2.363 ( -0.651 8.749 -4.105) 9.686 2.525 ( 0.101 -8.939 4.248) 9.898 2.689 ( -0.849 -5.298 0.136) 5.368 2.747 ( 1.271 -6.391 -3.167) 7.245 2.919 ( 1.112 -8.600 0.197) 8.674 4.054 ( -1.979 9.485 -1.005) 9.742 4.232 ( -4.786 6.645 -3.246) 8.809 4.463 ( -14.644 10.059 -1.088) 17.799 4.785 ( -12.318 11.579 1.202) 16.949 5.081 ( -5.315 1.574 7.221) 9.103 5.184 ( -8.047 1.805 1.122) 8.323 5.549 ( -7.275 -8.546 -2.221) 11.441 5.881 ( -3.550 -0.236 -3.106) 4.723 6.075 ( -5.060 -0.353 -3.526) 6.178 6.146 ( 0.635 1.735 4.644) 4.998 6.253 ( 3.232 -4.223 -0.065) 5.318 6.338 ( -0.092 -2.930 -1.886) 3.486 6.545 ( 1.600 2.013 0.416) 2.605 6.650 ( 0.457 4.392 0.260) 4.423 6.850 ( -0.889 -3.053 -2.174) 3.853 6.898 ( -0.642 0.693 -1.438) 1.720 7.609 ( -0.599 -0.165 4.391) 4.435 7.660 ( -1.831 3.521 -0.585) 4.012 7.928 ( 2.087 1.947 0.739) 2.948 8.031 ( 0.053 2.565 -0.822) 2.694 8.956 ( -0.142 0.814 0.665) 1.061 9.118 ( 0.708 1.368 0.535) 1.630 9.962 ( 0.739 0.940 -0.627) 1.350 10.069 ( 0.453 0.732 -0.412) 0.954======================= Grid point 33 (25/189) =======================q-point: ( 0.54 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( -1.252 -2.497 0.333) 2.813 1.127 ( -1.467 -1.857 -0.005) 2.367 1.148 ( -1.859 -2.561 1.085) 3.345 1.208 ( 0.073 -0.440 0.621) 0.765 1.346 ( 0.165 -6.647 2.063) 6.962 1.371 ( 0.556 -3.856 -0.467) 3.924 1.409 ( -0.152 -4.417 -0.406) 4.438 1.530 ( -2.590 -5.641 -1.212) 6.324 1.694 ( 0.565 1.314 -2.522) 2.899 1.765 ( 0.993 -0.372 0.579) 1.208 1.772 ( -0.677 3.098 0.540) 3.217 1.962 ( 0.208 0.633 2.425) 2.515 2.029 ( 0.192 8.846 -1.598) 8.991 2.196 ( -0.476 7.123 -1.365) 7.268 2.666 ( -0.947 -4.836 3.223) 5.888 2.758 ( -0.579 -4.394 -2.383) 5.032 2.873 ( 2.325 -4.809 -0.777) 5.398 3.072 ( -0.193 -6.262 0.713) 6.305 3.976 ( -2.070 -3.093 0.787) 3.804 4.140 ( -5.243 -1.131 -4.279) 6.861 4.264 ( -12.324 2.183 0.105) 12.516 4.525 ( -9.260 9.158 1.227) 13.082 4.989 ( -3.420 3.209 1.480) 4.918 5.230 ( -6.489 -6.860 3.144) 9.952 5.649 ( -5.608 -7.149 -3.276) 9.658 5.850 ( -3.184 -0.028 -2.189) 3.863 6.057 ( -1.787 -1.349 -1.217) 2.548 6.159 ( 0.437 -0.767 4.162) 4.254 6.344 ( 1.658 -2.255 -0.816) 2.915 6.387 ( 1.547 -3.435 1.297) 3.984 6.507 ( 0.954 3.240 1.811) 3.832 6.616 ( 3.766 0.546 -1.054) 3.948 6.800 ( -2.660 3.435 -2.820) 5.180 6.902 ( -0.673 0.973 -0.312) 1.223 7.582 ( -1.481 2.028 3.536) 4.337 7.624 ( -1.261 0.861 -0.319) 1.560 7.902 ( 2.617 1.697 -0.032) 3.119 8.001 ( -0.519 0.619 -1.148) 1.403 8.936 ( -0.651 1.122 -0.706) 1.477 9.097 ( 0.484 1.250 0.250) 1.364 9.951 ( 0.615 0.448 0.161) 0.778 10.059 ( 0.215 0.372 -0.219) 0.482======================= Grid point 34 (26/189) =======================q-point: ( 0.62 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.100 ( 0.365 -0.125 0.559) 0.679 1.141 ( -0.724 -0.932 -0.815) 1.434 1.188 ( 0.250 -1.491 0.980) 1.802 1.218 ( -0.342 -0.662 -0.230) 0.780 1.439 ( -0.283 -2.951 0.785) 3.066 1.458 ( -0.368 -3.005 -0.379) 3.051 1.485 ( -0.445 -5.286 0.285) 5.313 1.611 ( -1.429 -2.845 -1.240) 3.417 1.636 ( -1.675 2.919 -2.215) 4.029 1.710 ( 1.694 2.586 -1.102) 3.282 1.734 ( -0.180 3.401 0.248) 3.414 1.872 ( -0.907 6.252 -2.039) 6.638 1.983 ( 2.418 -1.046 4.246) 4.997 2.086 ( -0.559 3.070 -0.457) 3.153 2.731 ( -0.577 -2.146 0.270) 2.238 2.834 ( 0.206 -3.086 -0.074) 3.094 2.941 ( 2.064 -1.152 0.818) 2.501 3.152 ( -0.643 -2.087 0.342) 2.211 4.117 ( 0.555 -7.895 1.224) 8.009 4.179 ( -2.596 -6.290 -3.948) 7.867 4.241 ( -5.139 -5.529 -1.517) 7.700 4.357 ( -4.296 4.009 -0.260) 5.882 4.969 ( -1.386 -2.169 0.816) 2.700 5.354 ( -3.579 -7.828 0.873) 8.651 5.754 ( -0.321 -6.706 -2.883) 7.306 5.868 ( -4.359 -4.672 1.651) 6.599 6.090 ( 2.289 -0.958 2.644) 3.626 6.188 ( -0.796 -1.374 0.572) 1.688 6.373 ( 1.982 -0.588 -0.842) 2.233 6.449 ( 1.889 2.535 2.004) 3.743 6.483 ( 3.382 -2.043 1.768) 4.328 6.616 ( 3.134 2.058 -2.612) 4.570 6.731 ( -2.277 0.676 2.057) 3.142 6.855 ( -2.519 1.502 -1.950) 3.522 7.567 ( -2.101 -0.188 3.967) 4.493 7.589 ( 0.709 1.631 -3.089) 3.565 7.898 ( 2.230 0.248 0.170) 2.250 7.983 ( -1.238 0.459 -0.661) 1.477 8.902 ( -1.151 1.423 -1.722) 2.513 9.077 ( 0.073 1.077 -0.054) 1.081 9.952 ( 0.477 -0.016 0.652) 0.808 10.055 ( 0.067 0.098 -0.021) 0.120======================= Grid point 35 (27/189) =======================q-point: (-0.31 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.083 ( -0.264 1.323 -0.103) 1.353 1.159 ( 0.342 -0.916 -0.710) 1.208 1.192 ( -0.118 1.170 -0.143) 1.185 1.241 ( 1.249 -1.015 0.404) 1.659 1.428 ( -0.151 3.590 -0.072) 3.594 1.476 ( -0.757 5.579 -0.285) 5.637 1.522 ( 0.775 -1.631 0.227) 1.820 1.616 ( 0.764 -2.288 -1.399) 2.789 1.650 ( -1.366 -4.796 -0.563) 5.018 1.657 ( -1.327 2.785 -0.941) 3.226 1.735 ( -0.776 2.548 1.760) 3.193 1.767 ( -0.106 -1.992 -3.455) 3.990 2.054 ( 0.826 -4.453 3.409) 5.669 2.095 ( 0.162 -3.977 0.279) 3.990 2.741 ( 0.513 1.283 -0.556) 1.489 2.843 ( 0.327 2.654 0.072) 2.675 2.948 ( 0.684 1.725 1.637) 2.475 3.142 ( -0.360 2.854 -0.144) 2.881 4.148 ( 1.250 3.204 0.434) 3.466 4.289 ( -1.479 -7.846 -2.667) 8.418 4.315 ( 0.144 -3.637 -4.154) 5.523 4.493 ( 2.409 -15.170 -0.128) 15.360 5.054 ( 1.025 -5.867 1.131) 6.063 5.474 ( 1.153 -4.775 -0.504) 4.938 5.878 ( 2.916 -5.269 0.183) 6.024 5.983 ( -4.051 -8.389 3.293) 9.881 6.099 ( 2.836 3.147 2.644) 4.993 6.208 ( -1.102 -1.591 -1.309) 2.336 6.380 ( 2.571 0.791 0.244) 2.701 6.404 ( 2.307 2.763 -1.290) 3.824 6.493 ( 1.812 3.503 2.028) 4.435 6.617 ( 3.695 -0.366 1.002) 3.846 6.737 ( -4.561 -2.575 1.318) 5.401 6.862 ( -0.989 -3.996 -1.384) 4.343 7.560 ( 0.961 0.392 -2.541) 2.745 7.587 ( -1.201 -1.364 1.000) 2.074 7.912 ( 2.441 -0.154 0.560) 2.509 7.969 ( -2.158 -0.136 0.080) 2.163 8.863 ( -1.338 1.257 -2.028) 2.736 9.059 ( -0.297 0.560 -0.229) 0.674 9.960 ( 0.324 -0.349 0.761) 0.898 10.056 ( 0.003 -0.110 0.103) 0.151======================= Grid point 36 (28/189) =======================q-point: (-0.23 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( -0.285 1.158 -0.199) 1.209 1.145 ( -0.375 3.820 -0.583) 3.882 1.167 ( 0.600 0.313 -0.424) 0.798 1.255 ( 0.953 0.408 0.051) 1.038 1.305 ( -0.323 7.054 -0.225) 7.065 1.368 ( -0.296 6.037 0.064) 6.045 1.535 ( 3.312 2.587 2.200) 4.743 1.584 ( -3.084 2.176 -1.525) 4.070 1.606 ( 0.733 5.389 -1.620) 5.675 1.665 ( -1.152 -1.779 0.309) 2.142 1.803 ( -0.089 -8.228 0.053) 8.229 1.885 ( 0.265 -8.003 -1.185) 8.094 2.174 ( 1.512 -4.802 3.537) 6.153 2.207 ( -1.255 -7.513 -1.337) 7.733 2.684 ( 1.293 4.706 -0.393) 4.896 2.747 ( -0.929 6.549 -0.301) 6.621 2.882 ( 0.052 5.655 0.914) 5.729 3.048 ( -0.190 6.550 -0.001) 6.553 4.100 ( 1.142 1.256 -0.028) 1.698 4.352 ( 0.997 -1.421 0.066) 1.737 4.510 ( -0.279 -15.374 -3.737) 15.824 4.767 ( 3.170 -10.043 -0.255) 10.535 5.189 ( 1.541 -7.346 0.216) 7.509 5.523 ( 2.769 1.109 -0.202) 2.990 5.964 ( 2.911 -0.603 2.591) 3.943 6.020 ( -1.507 4.072 -1.094) 4.478 6.123 ( -0.033 -5.078 1.357) 5.256 6.209 ( 0.021 2.023 0.278) 2.042 6.381 ( 3.129 1.532 -1.088) 3.650 6.403 ( -0.198 -2.565 0.531) 2.627 6.440 ( -1.277 0.249 0.869) 1.565 6.636 ( 4.401 -0.116 3.313) 5.510 6.788 ( -4.035 -3.203 -2.211) 5.606 6.949 ( 0.323 -4.675 0.698) 4.738 7.564 ( 1.097 -0.628 -1.631) 2.064 7.611 ( -1.213 -1.636 -0.127) 2.041 7.929 ( 2.172 0.097 1.072) 2.423 7.968 ( -1.986 -0.945 -0.319) 2.223 8.835 ( -0.921 0.307 -1.390) 1.696 9.055 ( -0.316 -0.415 -0.198) 0.558 9.971 ( 0.139 -0.486 0.515) 0.722 10.059 ( -0.027 -0.197 0.104) 0.224======================= Grid point 37 (29/189) =======================q-point: (-0.15 0.15 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( -0.000 9.033 0.000) 9.033 1.061 ( -0.000 2.736 0.000) 2.736 1.151 ( -0.000 1.447 0.000) 1.447 1.199 ( -0.000 4.846 0.000) 4.846 1.227 ( -0.000 7.606 0.000) 7.606 1.236 ( -0.000 1.945 0.000) 1.945 1.441 ( -0.000 6.407 0.000) 6.407 1.506 ( -0.000 3.799 0.000) 3.799 1.584 ( 0.000 -0.407 -0.000) 0.407 1.661 ( -0.000 2.340 0.000) 2.340 1.936 ( 0.000 -4.951 -0.000) 4.951 2.033 ( 0.000 -5.585 -0.000) 5.585 2.202 ( -0.000 3.788 0.000) 3.788 2.295 ( -0.000 0.631 0.000) 0.631 2.611 ( -0.000 1.917 0.000) 1.917 2.633 ( -0.000 2.897 0.000) 2.897 2.763 ( -0.000 6.020 0.000) 6.020 2.891 ( -0.000 9.744 0.000) 9.744 4.146 ( 0.000 -6.009 -0.000) 6.009 4.378 ( 0.000 -1.718 -0.000) 1.718 4.819 ( 0.000 -13.061 -0.000) 13.061 4.886 ( 0.000 -5.282 -0.000) 5.282 5.359 ( 0.000 -9.293 -0.000) 9.293 5.462 ( -0.000 5.710 0.000) 5.710 5.847 ( -0.000 9.996 0.000) 9.996 6.048 ( 0.000 -3.444 -0.000) 3.444 6.131 ( -0.000 4.395 0.000) 4.395 6.154 ( -0.000 1.874 0.000) 1.874 6.340 ( -0.000 2.180 0.000) 2.180 6.470 ( 0.000 -4.260 -0.000) 4.260 6.528 ( 0.000 -7.349 -0.000) 7.349 6.702 ( 0.000 -3.503 -0.000) 3.503 6.754 ( -0.000 4.729 0.000) 4.729 7.037 ( 0.000 -4.147 -0.000) 4.147 7.575 ( 0.000 -0.271 -0.000) 0.271 7.643 ( 0.000 -2.483 -0.000) 2.483 7.939 ( 0.000 -0.516 -0.000) 0.516 7.977 ( 0.000 -0.571 -0.000) 0.571 8.838 ( 0.000 -1.142 -0.000) 1.142 9.072 ( 0.000 -1.530 -0.000) 1.530 9.982 ( 0.000 -0.476 -0.000) 0.476 10.064 ( 0.000 -0.325 -0.000) 0.325======================= Grid point 42 (30/189) =======================q-point: ( 0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.503 ( 11.335 0.000 0.103) 11.336 0.612 ( 10.475 0.000 10.254) 14.658 0.735 ( 8.229 0.000 0.305) 8.234 0.858 ( 11.370 0.000 12.819) 17.135 0.991 ( 8.114 0.000 2.631) 8.530 1.118 ( -2.874 -0.000 -0.141) 2.878 1.159 ( -2.690 -0.000 8.072) 8.509 1.272 ( -5.341 -0.000 -7.014) 8.817 1.273 ( 0.791 0.000 -1.067) 1.328 1.302 ( -4.314 -0.000 0.454) 4.338 1.435 ( -1.362 -0.000 -0.958) 1.665 1.558 ( 0.608 0.000 0.541) 0.814 1.674 ( -3.138 -0.000 0.473) 3.174 2.079 ( -2.136 -0.000 -9.896) 10.124 2.486 ( 0.492 0.000 2.524) 2.571 2.619 ( -0.299 -0.000 -9.461) 9.466 2.802 ( 0.914 0.000 2.353) 2.524 2.916 ( 4.854 0.000 2.539) 5.478 3.331 ( 5.269 0.000 -4.103) 6.678 3.717 ( 8.005 0.000 5.655) 9.801 4.444 ( 14.881 0.000 -2.699) 15.123 4.882 ( 11.032 0.000 1.080) 11.084 5.083 ( 5.608 0.000 3.172) 6.443 5.337 ( 9.956 0.000 8.624) 13.171 5.957 ( 10.604 0.000 -2.438) 10.881 6.119 ( -4.599 -0.000 -0.831) 4.673 6.202 ( 0.804 0.000 -23.354) 23.368 6.228 ( -4.108 -0.000 0.661) 4.161 6.276 ( -1.653 -0.000 -0.024) 1.653 6.398 ( -2.359 -0.000 0.047) 2.359 6.722 ( -2.183 -0.000 1.953) 2.929 6.771 ( -0.866 -0.000 -4.896) 4.972 6.933 ( -3.412 -0.000 -8.785) 9.425 6.996 ( -0.652 -0.000 -0.809) 1.039 7.616 ( -5.623 -0.000 14.058) 15.141 7.907 ( -1.844 -0.000 5.219) 5.535 8.090 ( 3.559 0.000 -2.854) 4.562 8.381 ( -0.365 -0.000 6.424) 6.434 9.006 ( -0.756 -0.000 2.485) 2.598 9.221 ( -0.491 -0.000 0.984) 1.099 10.057 ( -0.641 -0.000 0.531) 0.833 10.173 ( 0.913 0.000 -2.318) 2.492======================= Grid point 43 (31/189) =======================q-point: ( 0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 9.668 -5.509 2.533) 11.412 0.795 ( 5.154 -7.171 11.603) 14.581 0.876 ( 6.185 -6.578 -0.228) 9.031 0.912 ( 5.642 -2.118 1.275) 6.159 1.082 ( 6.619 -3.867 3.448) 8.406 1.105 ( -2.469 -0.120 -0.984) 2.660 1.148 ( -2.706 1.776 -2.812) 4.288 1.209 ( -1.796 -4.437 1.140) 4.920 1.312 ( -3.283 -2.410 -1.855) 4.475 1.458 ( 2.416 -5.643 3.232) 6.937 1.508 ( -0.361 -15.075 2.066) 15.220 1.630 ( -1.408 -3.961 3.613) 5.543 1.739 ( -1.577 -9.720 -0.514) 9.860 2.051 ( -2.501 -2.063 -8.511) 9.108 2.451 ( 0.969 2.679 1.632) 3.283 2.561 ( -0.016 1.774 -8.485) 8.669 2.762 ( 2.210 3.004 1.518) 4.027 2.913 ( 4.526 3.353 1.894) 5.943 3.901 ( -8.867 -43.074 -7.387) 44.593 4.081 ( 4.084 -26.948 6.152) 27.941 4.576 ( 11.507 -4.584 -4.052) 13.033 4.922 ( 10.145 3.895 2.585) 11.170 5.094 ( 5.190 2.877 -0.051) 5.934 5.370 ( 5.457 3.400 7.575) 9.936 5.855 ( -1.270 12.412 -11.582) 17.024 5.916 ( -0.507 9.330 -1.535) 9.469 6.151 ( 2.686 0.678 0.018) 2.770 6.212 ( -2.250 1.713 1.351) 3.134 6.298 ( -3.671 6.858 -0.146) 7.780 6.353 ( -2.020 -4.410 -9.810) 10.944 6.691 ( -1.211 2.905 2.583) 4.071 6.751 ( -1.430 0.686 -3.621) 3.953 6.909 ( -0.451 -0.007 -5.802) 5.819 6.963 ( -0.082 2.459 -0.319) 2.481 7.621 ( -4.041 1.009 12.166) 12.860 7.911 ( -0.953 0.238 3.951) 4.071 8.048 ( 1.786 4.657 -3.349) 6.007 8.347 ( 0.730 4.944 4.351) 6.626 9.001 ( -0.990 0.655 2.126) 2.434 9.208 ( -0.351 1.334 0.782) 1.585 10.042 ( 0.259 1.289 -0.785) 1.531 10.153 ( 1.064 1.752 -1.413) 2.490======================= Grid point 44 (32/189) =======================q-point: ( 0.38 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( 5.851 -6.138 2.109) 8.739 0.907 ( 3.597 -1.895 8.282) 9.226 0.991 ( 4.403 -3.367 -1.050) 5.641 1.059 ( -2.196 -6.944 2.307) 7.640 1.096 ( 1.134 -2.490 -0.693) 2.823 1.121 ( -0.697 -1.152 -1.166) 1.781 1.210 ( 1.602 -2.548 -0.939) 3.152 1.303 ( -1.860 -4.261 -3.665) 5.920 1.414 ( 0.929 -10.239 4.286) 11.139 1.562 ( -2.253 -6.772 -1.220) 7.240 1.728 ( -0.832 -6.093 2.455) 6.621 1.869 ( -3.772 -7.535 -4.229) 9.428 1.896 ( 3.004 -14.348 6.865) 16.187 2.150 ( -1.174 -12.347 -1.902) 12.547 2.412 ( 0.334 1.534 -2.460) 2.918 2.528 ( 1.179 -0.158 -6.216) 6.329 2.729 ( 1.496 2.003 1.112) 2.736 2.855 ( 2.857 5.012 2.195) 6.173 4.471 ( -3.685 -13.941 -5.019) 15.268 4.591 ( -0.357 1.819 -3.362) 3.839 4.622 ( -0.912 -17.722 -0.319) 17.749 4.850 ( 1.741 5.416 5.373) 7.825 5.057 ( 0.910 -1.642 -2.894) 3.450 5.326 ( -1.418 5.680 7.946) 9.870 5.536 ( -8.128 15.212 -3.408) 17.581 5.792 ( -4.372 -0.860 -4.919) 6.637 6.107 ( -0.539 5.893 0.427) 5.933 6.175 ( 2.678 -0.209 0.397) 2.716 6.212 ( -0.382 0.798 -1.628) 1.853 6.347 ( -0.256 1.629 -5.268) 5.520 6.643 ( 0.885 2.176 4.110) 4.733 6.702 ( -1.548 1.768 -2.593) 3.499 6.843 ( -2.666 4.089 -2.900) 5.677 6.939 ( 1.805 0.934 -1.166) 2.343 7.608 ( -2.449 1.606 9.911) 10.334 7.883 ( 0.984 4.913 -3.219) 5.955 7.958 ( -0.482 2.131 1.661) 2.744 8.243 ( 1.117 6.969 1.984) 7.331 8.986 ( -1.008 0.801 1.296) 1.827 9.178 ( 0.029 1.715 0.593) 1.815 10.013 ( 0.834 1.577 -1.266) 2.188 10.119 ( 0.995 1.906 -0.679) 2.255======================= Grid point 45 (33/189) =======================q-point: ( 0.46 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 0.610 -5.135 0.853) 5.241 0.979 ( 0.440 -2.340 1.724) 2.940 1.083 ( 3.071 -3.484 3.181) 5.629 1.124 ( -0.768 -2.803 2.892) 4.100 1.176 ( -0.694 -3.470 0.180) 3.543 1.186 ( 1.664 -4.687 -0.327) 4.985 1.243 ( 0.051 -3.029 -3.124) 4.352 1.357 ( -0.861 -3.220 -1.824) 3.800 1.614 ( 0.020 -7.630 4.366) 8.791 1.665 ( -0.330 -4.150 0.704) 4.223 1.812 ( -3.986 -1.318 -3.693) 5.592 1.884 ( -3.183 -4.127 -1.216) 5.352 2.195 ( 1.911 -6.665 5.046) 8.576 2.375 ( 1.626 -6.906 2.981) 7.696 2.440 ( -1.122 -6.649 -5.423) 8.653 2.513 ( -0.363 -2.083 -4.635) 5.094 2.709 ( 1.442 1.229 -0.334) 1.924 2.819 ( 1.427 -1.462 2.081) 2.916 4.298 ( 0.846 15.634 -4.229) 16.218 4.405 ( -2.616 13.389 -3.697) 14.134 4.644 ( -7.675 14.139 -0.281) 16.091 4.843 ( -9.217 -2.366 -0.807) 9.550 5.135 ( -4.796 9.478 7.902) 13.239 5.226 ( -5.443 -2.582 -3.690) 7.065 5.336 ( -7.039 -4.940 5.891) 10.424 5.812 ( -4.210 -3.532 -4.468) 7.082 6.047 ( -1.831 1.251 -2.201) 3.125 6.170 ( -2.508 -1.145 1.696) 3.237 6.234 ( 5.366 -0.072 0.122) 5.368 6.302 ( 2.374 0.528 -1.377) 2.795 6.596 ( -0.994 2.956 0.349) 3.139 6.697 ( -2.866 0.732 -3.182) 4.344 6.777 ( 0.846 -1.699 0.505) 1.964 6.918 ( 0.948 1.766 -0.217) 2.016 7.607 ( -1.442 0.012 7.020) 7.167 7.752 ( 0.202 6.320 -3.788) 7.371 7.955 ( 0.472 0.072 2.066) 2.120 8.120 ( 0.632 6.349 0.047) 6.380 8.969 ( -0.955 0.688 0.203) 1.194 9.150 ( 0.327 1.497 0.467) 1.602 9.986 ( 0.941 1.325 -0.709) 1.773 10.090 ( 0.663 1.395 -0.413) 1.599======================= Grid point 46 (34/189) =======================q-point: ( 0.54 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( -1.206 -2.600 0.578) 2.924 1.030 ( -2.884 -4.605 -0.185) 5.437 1.129 ( 0.115 -0.870 1.606) 1.831 1.199 ( -0.710 -0.698 0.411) 1.078 1.236 ( 1.534 -5.886 3.227) 6.886 1.294 ( 2.052 -5.021 -0.218) 5.429 1.324 ( 0.330 -4.692 -1.058) 4.822 1.414 ( -1.797 -4.303 -1.662) 4.951 1.705 ( 0.745 -0.174 -1.534) 1.714 1.732 ( 0.066 -3.676 2.726) 4.577 1.785 ( -3.145 -0.269 -0.841) 3.267 1.939 ( -2.438 -2.553 0.022) 3.531 2.190 ( 1.397 5.956 0.416) 6.132 2.334 ( -0.472 8.169 -3.058) 8.735 2.555 ( 0.465 -8.169 4.242) 9.216 2.680 ( -0.544 -3.548 -0.513) 3.626 2.734 ( 0.010 -8.843 -3.056) 9.356 2.934 ( 1.174 -7.585 0.412) 7.687 4.032 ( -0.944 9.625 -0.942) 9.717 4.148 ( -5.861 7.709 -4.504) 10.680 4.325 ( -9.250 11.326 0.292) 14.626 4.656 ( -10.053 10.213 -0.931) 14.361 5.074 ( -4.000 4.534 6.216) 8.671 5.121 ( -4.467 -0.336 1.011) 4.593 5.478 ( -4.232 -7.325 -0.811) 8.499 5.824 ( -3.487 -0.747 -2.337) 4.264 6.002 ( -3.797 -0.343 -3.715) 5.324 6.190 ( 0.553 -0.015 6.292) 6.316 6.297 ( 3.779 -2.765 0.220) 4.688 6.338 ( 2.194 -2.615 -0.387) 3.435 6.550 ( -1.025 1.387 -1.014) 2.001 6.641 ( -0.924 1.113 -1.196) 1.877 6.824 ( -0.772 0.272 -1.723) 1.908 6.902 ( 0.782 -0.230 0.512) 0.963 7.622 ( -1.553 -0.210 2.773) 3.185 7.644 ( -0.175 4.107 -0.088) 4.111 7.955 ( 1.959 1.403 0.799) 2.539 8.023 ( -0.433 3.270 -0.910) 3.422 8.949 ( -0.930 0.844 -0.690) 1.433 9.126 ( 0.371 1.350 0.298) 1.432 9.969 ( 0.783 0.915 -0.007) 1.204 10.071 ( 0.342 0.832 -0.265) 0.938======================= Grid point 47 (35/189) =======================q-point: ( 0.62 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.060 ( -1.035 -3.322 0.296) 3.492 1.109 ( -1.402 -4.609 0.126) 4.819 1.141 ( -0.543 -0.297 0.266) 0.674 1.211 ( -0.057 -0.455 0.244) 0.519 1.356 ( -0.138 -5.487 1.052) 5.588 1.382 ( 1.462 -3.402 0.278) 3.713 1.411 ( 0.111 -4.066 0.624) 4.115 1.493 ( -2.118 -5.701 -1.872) 6.364 1.683 ( 0.092 2.193 -2.114) 3.048 1.767 ( -1.264 0.928 2.182) 2.687 1.776 ( 1.160 0.549 -1.412) 1.908 1.976 ( 0.733 -1.946 0.505) 2.140 2.026 ( -0.243 10.024 0.219) 10.030 2.184 ( -0.439 6.775 -0.641) 6.819 2.674 ( -0.664 -3.187 2.350) 4.015 2.740 ( -0.163 -5.675 -2.175) 6.079 2.894 ( 1.569 -5.712 0.116) 5.925 3.071 ( -0.392 -5.846 0.276) 5.866 3.967 ( -0.326 -3.938 0.598) 3.997 4.058 ( -4.696 -2.550 -3.804) 6.559 4.163 ( -6.169 1.550 0.611) 6.390 4.442 ( -5.806 7.105 -0.176) 9.177 4.968 ( -1.980 3.258 1.122) 3.974 5.189 ( -3.658 -6.577 1.791) 7.736 5.588 ( -2.860 -7.545 -1.366) 8.183 5.808 ( -2.121 -0.662 -1.334) 2.592 6.022 ( -2.008 -4.143 -1.603) 4.875 6.218 ( 3.085 0.779 6.239) 7.004 6.335 ( -1.046 -2.239 -2.511) 3.523 6.425 ( 3.168 -3.670 1.382) 5.042 6.516 ( -0.874 1.530 0.600) 1.862 6.651 ( 3.323 -1.123 -0.776) 3.593 6.758 ( -2.390 4.050 -1.341) 4.890 6.892 ( -0.602 2.247 -0.352) 2.353 7.584 ( -1.054 1.694 1.981) 2.812 7.612 ( -0.575 1.344 -0.248) 1.482 7.929 ( 2.176 1.902 0.106) 2.892 7.986 ( -0.898 0.658 -0.718) 1.325 8.920 ( -0.847 1.336 -1.074) 1.912 9.102 ( 0.211 1.390 0.093) 1.409 9.960 ( 0.497 0.443 0.347) 0.751 10.060 ( 0.134 0.410 -0.110) 0.445======================= Grid point 48 (36/189) =======================q-point: (-0.31 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.110 ( 0.615 0.073 1.036) 1.207 1.126 ( -0.807 -1.129 -1.216) 1.845 1.197 ( 0.388 -3.325 0.643) 3.409 1.212 ( -0.370 -0.076 -0.331) 0.502 1.438 ( -0.295 -2.090 0.197) 2.120 1.459 ( 0.472 -3.675 0.087) 3.706 1.483 ( -0.367 -4.799 0.341) 4.825 1.592 ( -0.567 -4.548 -0.815) 4.655 1.608 ( -0.977 4.101 -1.238) 4.393 1.720 ( 0.925 2.893 -0.515) 3.080 1.733 ( -0.345 3.989 0.361) 4.021 1.858 ( -0.240 6.660 -0.691) 6.700 2.026 ( 1.451 -1.890 2.359) 3.353 2.073 ( -0.836 3.232 -0.897) 3.457 2.727 ( -0.201 -2.266 0.032) 2.275 2.836 ( 0.120 -3.613 0.009) 3.615 2.963 ( 0.946 -1.020 0.518) 1.484 3.147 ( -0.347 -2.061 0.084) 2.092 4.124 ( -0.041 -6.364 -0.041) 6.364 4.146 ( -0.851 -6.692 -1.031) 6.824 4.196 ( -1.383 -11.449 -0.741) 11.556 4.317 ( -2.108 3.608 -0.362) 4.194 4.961 ( -0.588 -3.166 0.347) 3.239 5.329 ( -1.434 -8.723 0.237) 8.843 5.745 ( 0.378 -9.983 -0.860) 10.028 5.836 ( -2.137 -3.597 0.444) 4.208 6.108 ( -0.065 -5.006 0.401) 5.022 6.207 ( 1.407 3.018 1.618) 3.701 6.376 ( -0.045 -2.350 -0.637) 2.435 6.474 ( 0.967 2.810 0.784) 3.073 6.527 ( 2.099 -4.693 1.405) 5.330 6.618 ( 0.531 5.354 -2.671) 6.007 6.741 ( 0.526 -2.911 3.446) 4.542 6.812 ( -2.296 3.898 -2.459) 5.149 7.570 ( -1.591 0.423 3.777) 4.120 7.578 ( 1.010 1.060 -3.504) 3.797 7.920 ( 1.378 0.123 0.091) 1.386 7.967 ( -0.969 0.743 -0.252) 1.247 8.883 ( -0.578 1.725 -0.860) 2.012 9.077 ( 0.011 1.282 -0.037) 1.283 9.959 ( 0.215 -0.034 0.316) 0.384 10.055 ( 0.029 0.099 -0.000) 0.103======================= Grid point 49 (37/189) =======================q-point: (-0.23 0.23 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( -0.000 1.579 0.000) 1.579 1.158 ( 0.000 -1.248 -0.000) 1.248 1.191 ( -0.000 1.538 0.000) 1.538 1.250 ( 0.000 -1.252 -0.000) 1.252 1.427 ( -0.000 3.580 0.000) 3.580 1.470 ( -0.000 5.817 0.000) 5.817 1.528 ( 0.000 -2.836 -0.000) 2.836 1.618 ( 0.000 -0.618 -0.000) 0.618 1.635 ( 0.000 -7.068 -0.000) 7.068 1.649 ( -0.000 3.692 0.000) 3.692 1.738 ( -0.000 6.209 0.000) 6.209 1.755 ( 0.000 -5.440 -0.000) 5.440 2.069 ( 0.000 -4.086 -0.000) 4.086 2.097 ( 0.000 -4.286 -0.000) 4.286 2.742 ( -0.000 1.052 0.000) 1.052 2.846 ( -0.000 2.917 0.000) 2.917 2.958 ( -0.000 1.936 0.000) 1.936 3.139 ( -0.000 2.813 0.000) 2.813 4.156 ( -0.000 2.820 0.000) 2.820 4.268 ( 0.000 -9.044 -0.000) 9.044 4.306 ( 0.000 -3.095 -0.000) 3.095 4.506 ( 0.000 -16.728 -0.000) 16.728 5.063 ( 0.000 -6.546 -0.000) 6.546 5.478 ( 0.000 -6.172 -0.000) 6.172 5.906 ( 0.000 -4.220 -0.000) 4.220 5.958 ( 0.000 -10.819 -0.000) 10.819 6.130 ( -0.000 5.216 0.000) 5.216 6.194 ( 0.000 -3.155 -0.000) 3.155 6.398 ( -0.000 0.096 0.000) 0.096 6.409 ( -0.000 3.216 0.000) 3.216 6.512 ( -0.000 4.704 0.000) 4.704 6.663 ( 0.000 -7.017 -0.000) 7.017 6.695 ( -0.000 4.385 0.000) 4.385 6.851 ( 0.000 -5.484 -0.000) 5.484 7.557 ( -0.000 0.160 0.000) 0.160 7.583 ( 0.000 -0.937 -0.000) 0.937 7.936 ( 0.000 -1.104 -0.000) 1.104 7.948 ( -0.000 0.688 0.000) 0.688 8.848 ( -0.000 1.459 0.000) 1.459 9.057 ( -0.000 0.692 0.000) 0.692 9.964 ( 0.000 -0.365 -0.000) 0.365 10.056 ( 0.000 -0.114 -0.000) 0.114======================= Grid point 56 (38/189) =======================q-point: ( 0.31 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.613 ( 8.775 0.000 -0.074) 8.775 0.776 ( 9.576 0.000 7.908) 12.419 0.830 ( 8.475 0.000 0.515) 8.491 0.970 ( 1.041 0.000 5.124) 5.229 1.083 ( -3.289 -0.000 -0.265) 3.300 1.107 ( 5.409 0.000 6.359) 8.348 1.161 ( -4.447 -0.000 -6.775) 8.104 1.202 ( 1.025 0.000 2.025) 2.270 1.248 ( -4.399 -0.000 -0.962) 4.503 1.279 ( -0.227 -0.000 0.222) 0.317 1.433 ( -0.236 -0.000 0.745) 0.782 1.569 ( 0.728 0.000 0.747) 1.043 1.676 ( 2.149 0.000 6.677) 7.014 1.991 ( -2.811 -0.000 -8.956) 9.386 2.494 ( -1.413 -0.000 -0.760) 1.604 2.557 ( -0.564 -0.000 -7.502) 7.524 2.828 ( 1.480 0.000 1.697) 2.252 2.981 ( 4.177 0.000 2.362) 4.799 3.357 ( 4.001 0.000 -4.237) 5.828 3.850 ( 9.058 0.000 6.351) 11.063 4.581 ( 13.049 0.000 -3.648) 13.550 5.019 ( 12.290 0.000 1.355) 12.364 5.157 ( 5.465 0.000 0.832) 5.528 5.467 ( 3.975 0.000 5.521) 6.804 5.969 ( 0.219 0.000 -19.188) 19.189 6.067 ( -3.998 -0.000 -0.509) 4.030 6.136 ( 8.501 0.000 -4.346) 9.547 6.189 ( -3.499 -0.000 0.346) 3.516 6.252 ( -2.637 -0.000 0.031) 2.637 6.364 ( -3.771 -0.000 0.013) 3.771 6.691 ( -4.518 -0.000 -0.466) 4.542 6.750 ( 2.932 0.000 -2.563) 3.894 6.911 ( 2.166 0.000 -1.088) 2.424 6.987 ( -0.336 -0.000 0.048) 0.339 7.646 ( -3.510 -0.000 12.803) 13.276 7.920 ( -1.571 -0.000 5.302) 5.529 8.090 ( 0.749 0.000 -5.050) 5.105 8.411 ( 0.137 0.000 3.955) 3.957 9.006 ( -1.561 -0.000 1.664) 2.282 9.220 ( -0.601 -0.000 0.725) 0.942 10.053 ( 0.096 0.000 -0.943) 0.948 10.172 ( 0.925 0.000 -1.415) 1.690======================= Grid point 57 (39/189) =======================q-point: ( 0.38 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 8.914 -5.976 1.458) 10.830 0.892 ( 4.053 -5.862 4.809) 8.598 0.953 ( 2.878 -2.256 -1.172) 3.840 0.962 ( 3.581 -1.692 6.799) 7.868 1.063 ( -1.434 -0.411 -2.824) 3.194 1.104 ( -1.248 -0.327 -2.703) 2.995 1.171 ( 3.421 -2.469 1.476) 4.470 1.186 ( -2.367 -2.875 -0.256) 3.733 1.275 ( -1.766 -5.065 1.127) 5.481 1.440 ( -2.560 -3.786 -1.366) 4.770 1.511 ( -3.449 -14.609 -1.647) 15.101 1.663 ( 1.064 -7.893 2.718) 8.416 1.773 ( 5.363 -5.107 7.454) 10.508 1.984 ( -0.937 -3.718 -4.467) 5.887 2.437 ( -2.281 2.332 -5.286) 6.212 2.526 ( 0.682 0.828 -3.077) 3.259 2.795 ( 2.120 3.251 1.162) 4.051 2.968 ( 3.455 3.758 1.629) 5.358 3.798 ( -4.069 -36.457 -4.574) 36.968 4.166 ( 4.491 -22.695 5.794) 23.849 4.664 ( 9.100 -1.189 -5.094) 10.496 5.052 ( 10.351 5.398 2.382) 11.914 5.141 ( 3.952 4.540 -0.932) 6.091 5.442 ( 0.700 3.739 4.736) 6.075 5.735 ( -4.385 12.311 -13.658) 18.903 5.882 ( -3.999 12.468 -0.839) 13.121 6.192 ( -2.236 1.594 0.105) 2.748 6.214 ( 7.065 -0.442 0.075) 7.079 6.252 ( -2.686 6.106 -0.909) 6.732 6.307 ( 0.124 -4.301 -2.412) 4.933 6.667 ( -5.488 0.025 0.020) 5.488 6.739 ( 2.736 2.654 -0.717) 3.879 6.899 ( 0.924 2.645 -2.027) 3.458 6.973 ( 1.794 1.185 1.309) 2.517 7.659 ( -2.205 1.145 11.832) 12.091 7.923 ( -0.896 0.590 2.918) 3.109 8.029 ( -0.354 4.246 -5.144) 6.679 8.374 ( 0.486 4.852 2.600) 5.526 8.995 ( -1.638 0.543 0.943) 1.967 9.207 ( -0.407 1.162 0.516) 1.335 10.040 ( 0.520 1.088 -1.189) 1.694 10.158 ( 0.923 1.537 -0.828) 1.975======================= Grid point 58 (40/189) =======================q-point: ( 0.46 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 5.522 -2.650 1.356) 6.273 0.962 ( 1.781 -1.003 0.590) 2.127 1.044 ( 2.070 -4.677 3.983) 6.483 1.046 ( -0.287 -4.997 2.012) 5.395 1.110 ( 0.145 -1.387 -1.507) 2.053 1.122 ( 2.605 -3.339 0.783) 4.307 1.204 ( -1.484 -1.006 -1.654) 2.439 1.264 ( -1.545 -5.424 -2.524) 6.179 1.460 ( 2.212 -10.131 4.686) 11.379 1.529 ( -2.100 -8.178 -1.249) 8.535 1.697 ( -3.898 -7.622 -3.118) 9.111 1.803 ( -2.879 -3.676 -2.241) 5.179 1.996 ( 4.544 -14.126 7.289) 16.532 2.142 ( 0.433 -12.206 1.801) 12.346 2.374 ( -1.888 0.783 -6.824) 7.123 2.519 ( 1.503 0.179 -2.297) 2.751 2.751 ( 1.359 2.431 0.699) 2.872 2.893 ( 1.978 5.601 1.580) 6.147 4.381 ( -5.670 -21.705 -3.771) 22.748 4.580 ( 1.278 9.821 -3.977) 10.672 4.614 ( -0.145 -14.167 -0.685) 14.185 4.908 ( 2.506 13.185 3.924) 13.983 5.070 ( 4.197 1.317 -0.620) 4.442 5.353 ( -3.761 7.622 7.651) 11.436 5.427 ( -6.298 14.920 -2.957) 16.463 5.702 ( -5.336 -1.512 -6.550) 8.583 6.098 ( -1.422 5.459 -1.464) 5.828 6.146 ( -1.775 0.766 -1.263) 2.309 6.266 ( 7.057 0.136 0.155) 7.060 6.347 ( 1.882 0.979 0.892) 2.301 6.617 ( -6.541 1.481 -2.321) 7.097 6.706 ( 2.805 1.754 2.044) 3.889 6.810 ( -1.071 4.548 -2.023) 5.091 6.967 ( 2.542 1.774 1.218) 3.331 7.649 ( -1.085 2.110 10.133) 10.407 7.857 ( -0.379 5.764 -6.260) 8.518 7.965 ( -0.226 0.622 2.036) 2.141 8.261 ( 0.576 7.364 0.996) 7.453 8.976 ( -1.372 0.714 0.077) 1.549 9.180 ( -0.079 1.496 0.328) 1.533 10.015 ( 0.753 1.372 -0.812) 1.763 10.126 ( 0.720 1.919 -0.396) 2.088======================= Grid point 59 (41/189) =======================q-point: ( 0.54 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( 0.618 -2.813 0.445) 2.914 0.986 ( 0.410 -0.598 -0.132) 0.737 1.112 ( -0.512 -1.385 1.640) 2.206 1.148 ( 1.272 -4.455 1.597) 4.900 1.179 ( -0.429 -2.751 2.826) 3.967 1.211 ( 3.497 -5.616 -0.657) 6.648 1.226 ( 0.144 -3.499 -1.304) 3.737 1.329 ( -2.058 -3.541 -2.522) 4.809 1.640 ( 0.085 -6.676 3.803) 7.684 1.668 ( 0.121 -4.983 0.430) 5.003 1.746 ( -3.111 -1.322 -3.713) 5.021 1.856 ( -1.545 -4.254 -0.043) 4.526 2.232 ( 0.435 -2.851 2.926) 4.108 2.400 ( 0.365 -9.437 -3.385) 10.032 2.411 ( 0.271 -11.141 2.384) 11.396 2.485 ( -0.299 1.670 -3.395) 3.795 2.718 ( 0.635 2.539 -0.391) 2.646 2.844 ( 1.075 -1.400 1.239) 2.157 4.281 ( 0.285 15.810 -3.092) 16.112 4.347 ( -3.222 14.601 -3.420) 15.339 4.586 ( -3.062 17.852 0.706) 18.126 4.752 ( -6.193 1.344 -0.652) 6.371 5.133 ( -2.469 8.412 4.483) 9.846 5.181 ( -0.891 0.958 -1.196) 1.773 5.298 ( -5.054 -7.705 3.588) 9.888 5.751 ( -2.424 -4.462 -3.004) 5.900 6.001 ( -2.526 3.135 -2.693) 4.844 6.162 ( -0.617 -2.660 0.826) 2.853 6.314 ( 5.753 -1.603 0.840) 6.031 6.329 ( 3.321 2.003 3.191) 5.022 6.544 ( -6.105 0.871 -4.311) 7.524 6.665 ( -0.430 3.336 -0.537) 3.406 6.788 ( 0.563 -2.417 0.172) 2.488 6.937 ( 1.345 2.515 1.005) 3.024 7.637 ( -0.769 1.350 6.425) 6.610 7.727 ( -0.001 5.151 -4.619) 6.919 7.971 ( 0.449 -0.140 1.419) 1.494 8.124 ( 0.209 6.896 -0.190) 6.902 8.955 ( -0.975 0.669 -0.495) 1.281 9.154 ( 0.115 1.358 0.208) 1.379 9.993 ( 0.646 1.189 -0.210) 1.369 10.094 ( 0.386 1.500 -0.210) 1.563======================= Grid point 60 (42/189) =======================q-point: ( 0.62 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.002 ( -0.631 -1.764 -0.027) 1.873 1.009 ( -0.805 -4.122 0.190) 4.204 1.134 ( -0.121 -0.786 0.426) 0.902 1.195 ( -0.269 -1.153 0.063) 1.186 1.262 ( 0.401 -4.854 1.278) 5.035 1.315 ( 0.992 -4.768 -0.212) 4.875 1.333 ( 1.740 -4.709 1.265) 5.177 1.380 ( -2.051 -4.170 -1.935) 5.034 1.705 ( 0.869 0.055 -1.216) 1.496 1.744 ( -1.463 -2.611 3.238) 4.409 1.755 ( -0.252 -2.156 -1.933) 2.906 1.919 ( -1.080 -3.404 -0.048) 3.572 2.200 ( 0.375 5.806 0.043) 5.818 2.319 ( -0.051 8.358 -1.023) 8.421 2.581 ( 0.291 -8.446 2.232) 8.741 2.672 ( -0.197 0.277 -0.639) 0.724 2.717 ( -0.253 -12.677 -1.388) 12.755 2.946 ( 0.485 -6.753 0.180) 6.773 4.024 ( 0.195 9.269 -0.321) 9.276 4.070 ( -3.468 8.492 -2.189) 9.430 4.265 ( -2.611 11.943 0.399) 12.232 4.573 ( -3.851 9.748 -0.515) 10.493 5.066 ( -1.630 6.538 1.766) 6.966 5.098 ( -1.262 -1.800 0.990) 2.411 5.445 ( -1.374 -6.652 -0.168) 6.795 5.785 ( -1.434 -0.941 -0.882) 1.929 5.955 ( -1.436 -0.690 -1.518) 2.201 6.223 ( 0.073 -3.200 2.897) 4.317 6.313 ( 0.477 1.154 -0.725) 1.444 6.398 ( 5.518 -1.922 2.713) 6.442 6.503 ( -4.431 -1.006 -3.002) 5.446 6.631 ( -0.022 -0.408 -0.423) 0.588 6.814 ( -0.099 1.367 -0.339) 1.412 6.912 ( 0.388 0.551 0.313) 0.743 7.615 ( -0.747 1.722 0.439) 1.928 7.648 ( 0.126 2.519 0.519) 2.575 7.977 ( 1.099 0.434 0.557) 1.306 8.012 ( -0.522 4.294 -0.575) 4.363 8.935 ( -0.516 0.885 -0.499) 1.140 9.130 ( 0.107 1.339 0.089) 1.346 9.976 ( 0.335 0.878 0.086) 0.943 10.072 ( 0.129 0.889 -0.090) 0.903======================= Grid point 61 (43/189) =======================q-point: ( 0.69 0.31 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 0.000 -3.646 -0.000) 3.646 1.102 ( 0.000 -5.531 -0.000) 5.531 1.138 ( -0.000 0.471 0.000) 0.471 1.211 ( 0.000 -0.496 -0.000) 0.496 1.358 ( 0.000 -4.971 -0.000) 4.971 1.397 ( 0.000 -3.440 -0.000) 3.440 1.412 ( 0.000 -3.277 -0.000) 3.277 1.473 ( 0.000 -6.219 -0.000) 6.219 1.676 ( -0.000 2.792 0.000) 2.792 1.767 ( -0.000 0.392 0.000) 0.392 1.778 ( -0.000 0.407 0.000) 0.407 1.982 ( 0.000 -3.163 -0.000) 3.163 2.025 ( -0.000 10.595 0.000) 10.595 2.180 ( -0.000 6.749 0.000) 6.749 2.678 ( 0.000 -2.021 -0.000) 2.021 2.732 ( 0.000 -6.709 -0.000) 6.709 2.904 ( 0.000 -6.212 -0.000) 6.212 3.069 ( 0.000 -5.620 -0.000) 5.620 3.971 ( 0.000 -4.403 -0.000) 4.403 4.014 ( 0.000 -3.349 -0.000) 3.349 4.132 ( -0.000 1.772 0.000) 1.772 4.408 ( -0.000 6.334 0.000) 6.334 4.960 ( -0.000 3.312 0.000) 3.312 5.174 ( 0.000 -6.329 -0.000) 6.329 5.569 ( 0.000 -7.667 -0.000) 7.667 5.792 ( 0.000 -0.935 -0.000) 0.935 6.005 ( 0.000 -4.731 -0.000) 4.731 6.272 ( -0.000 2.589 0.000) 2.589 6.305 ( 0.000 -4.193 -0.000) 4.193 6.454 ( 0.000 -2.791 -0.000) 2.791 6.506 ( -0.000 0.032 0.000) 0.032 6.670 ( 0.000 -3.326 -0.000) 3.326 6.738 ( -0.000 5.752 0.000) 5.752 6.887 ( -0.000 2.915 0.000) 2.915 7.584 ( -0.000 1.105 0.000) 1.105 7.609 ( -0.000 2.013 0.000) 2.013 7.944 ( -0.000 2.135 0.000) 2.135 7.977 ( -0.000 0.506 0.000) 0.506 8.911 ( -0.000 1.403 0.000) 1.403 9.104 ( -0.000 1.436 0.000) 1.436 9.964 ( -0.000 0.446 0.000) 0.446 10.060 ( -0.000 0.424 0.000) 0.424======================= Grid point 71 (44/189) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 6.211 0.000 -0.055) 6.211 0.910 ( 6.420 0.000 4.934) 8.097 0.922 ( 7.565 0.000 0.695) 7.597 0.982 ( -1.912 -0.000 3.238) 3.761 1.045 ( -2.989 -0.000 -0.489) 3.029 1.068 ( -1.871 -0.000 -7.090) 7.333 1.151 ( -2.353 -0.000 1.634) 2.865 1.189 ( -5.306 -0.000 -0.377) 5.319 1.248 ( 3.541 0.000 3.041) 4.667 1.278 ( 0.007 0.000 -0.253) 0.253 1.407 ( -2.884 -0.000 -1.717) 3.356 1.581 ( 0.593 0.000 0.654) 0.883 1.785 ( 4.893 0.000 4.406) 6.584 1.950 ( 3.273 0.000 2.364) 4.038 2.425 ( -4.710 -0.000 -8.902) 10.071 2.534 ( -0.132 -0.000 -0.821) 0.832 2.852 ( 1.307 0.000 0.999) 1.645 3.033 ( 2.796 0.000 1.873) 3.366 3.369 ( 2.383 0.000 -3.181) 3.975 3.979 ( 7.423 0.000 5.417) 9.190 4.677 ( 8.350 0.000 -3.682) 9.126 5.155 ( 10.479 0.000 1.225) 10.551 5.208 ( 3.525 0.000 -0.593) 3.575 5.458 ( -5.013 -0.000 -4.656) 6.842 5.890 ( 3.275 0.000 -8.341) 8.961 6.027 ( -3.082 -0.000 -0.084) 3.083 6.160 ( -1.908 -0.000 0.019) 1.908 6.222 ( -2.653 -0.000 -0.013) 2.653 6.237 ( 10.203 0.000 -0.778) 10.232 6.321 ( -3.877 -0.000 0.030) 3.877 6.634 ( -4.939 -0.000 -1.254) 5.095 6.783 ( 3.363 0.000 0.684) 3.432 6.927 ( 0.892 0.000 -1.462) 1.713 7.000 ( 1.793 0.000 2.047) 2.722 7.696 ( -0.957 -0.000 11.905) 11.944 7.933 ( -1.331 -0.000 3.816) 4.042 8.049 ( -1.204 -0.000 -7.089) 7.190 8.431 ( 0.128 0.000 2.180) 2.184 8.993 ( -1.737 -0.000 0.598) 1.838 9.218 ( -0.500 -0.000 0.422) 0.654 10.049 ( 0.425 0.000 -1.113) 1.191 10.176 ( 0.756 0.000 -0.691) 1.024======================= Grid point 72 (45/189) =======================q-point: ( 0.46 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( 6.771 -8.574 0.456) 10.935 0.929 ( -2.753 -0.908 0.805) 3.008 0.964 ( 4.693 -1.014 -0.481) 4.825 1.017 ( -1.053 -0.991 4.005) 4.258 1.071 ( -0.671 -2.908 0.615) 3.047 1.082 ( 4.387 -3.721 -2.819) 6.406 1.142 ( -3.674 -1.440 -0.648) 3.999 1.184 ( -0.841 -1.956 0.019) 2.129 1.297 ( 1.888 -6.923 2.358) 7.553 1.412 ( -1.436 -2.679 -0.587) 3.095 1.446 ( -4.477 -12.439 -2.627) 13.478 1.672 ( -0.204 -7.588 0.358) 7.599 1.841 ( 1.107 -4.912 -1.317) 5.204 2.039 ( 7.585 -3.631 10.370) 13.352 2.349 ( -5.065 1.177 -9.535) 10.861 2.525 ( 0.331 0.374 -0.440) 0.666 2.819 ( 1.276 3.277 0.606) 3.568 3.006 ( 1.880 4.045 1.018) 4.575 3.748 ( -1.587 -32.610 -2.259) 32.727 4.239 ( 3.033 -19.229 3.711) 19.817 4.709 ( 4.389 1.370 -4.109) 6.166 5.160 ( 4.586 7.301 1.382) 8.732 5.171 ( 4.470 3.489 -0.760) 5.721 5.449 ( -1.022 -3.196 0.090) 3.356 5.631 ( -2.889 18.220 -6.378) 19.519 5.834 ( -3.501 15.277 -0.507) 15.682 6.168 ( -1.614 2.934 -0.452) 3.379 6.220 ( -1.511 6.219 0.144) 6.401 6.286 ( 2.647 -3.800 -0.438) 4.652 6.329 ( 5.760 -3.578 0.637) 6.810 6.595 ( -5.956 0.883 -1.612) 6.234 6.776 ( 2.581 2.583 1.641) 4.003 6.888 ( -0.573 3.682 -1.795) 4.136 7.010 ( 2.419 0.801 1.679) 3.051 7.716 ( -0.018 1.432 10.612) 10.708 7.916 ( -1.340 2.392 -2.297) 3.577 7.992 ( -0.810 2.126 -2.963) 3.736 8.389 ( 0.220 4.841 1.217) 4.996 8.981 ( -1.305 0.513 0.119) 1.407 9.206 ( -0.275 1.047 0.240) 1.109 10.039 ( 0.457 0.927 -0.762) 1.284 10.162 ( 0.557 1.467 -0.361) 1.610======================= Grid point 73 (46/189) =======================q-point: ( 0.54 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 1.260 -0.864 -0.082) 1.530 0.980 ( 1.769 -0.615 -0.223) 1.886 1.061 ( 0.780 -5.682 1.655) 5.969 1.075 ( -0.722 -3.583 2.169) 4.250 1.111 ( 1.482 -3.421 -1.010) 3.862 1.157 ( 2.006 -2.140 -0.253) 2.944 1.169 ( -2.092 -3.191 0.029) 3.816 1.237 ( -1.335 -3.490 -1.316) 3.961 1.507 ( -0.561 -10.401 -0.443) 10.426 1.512 ( 1.863 -8.040 3.297) 8.887 1.631 ( -2.958 -9.040 -3.491) 10.132 1.777 ( -0.842 -3.719 -0.338) 3.828 2.051 ( 0.990 -15.819 1.360) 15.908 2.197 ( 3.512 -5.182 7.809) 10.008 2.297 ( -3.299 -2.383 -8.439) 9.369 2.524 ( 0.586 0.402 -0.524) 0.883 2.764 ( 0.530 2.720 0.210) 2.779 2.915 ( 0.713 5.884 0.596) 5.957 4.321 ( -2.108 -21.958 -1.298) 22.097 4.568 ( 0.285 12.876 -1.985) 13.031 4.610 ( -0.073 -12.932 -0.284) 12.936 4.937 ( 0.486 16.637 0.894) 16.668 5.149 ( 8.758 3.729 2.347) 9.804 5.271 ( -10.464 7.331 -1.719) 12.892 5.427 ( 1.315 17.980 3.480) 18.361 5.614 ( -3.372 -6.122 -4.523) 8.325 6.070 ( -1.140 5.383 -1.032) 5.598 6.138 ( 0.069 0.976 -0.087) 0.982 6.327 ( 2.902 0.089 -0.293) 2.918 6.396 ( 4.539 0.320 3.491) 5.735 6.521 ( -6.360 2.205 -3.644) 7.654 6.749 ( 2.034 2.492 2.933) 4.353 6.785 ( -1.316 4.211 -2.441) 5.042 6.996 ( 1.162 2.253 0.738) 2.640 7.702 ( 0.134 2.892 7.406) 7.952 7.808 ( -0.747 5.319 -6.121) 8.143 7.974 ( -0.021 0.028 0.906) 0.907 8.269 ( 0.171 7.607 0.298) 7.614 8.963 ( -0.639 0.713 -0.163) 0.971 9.181 ( -0.049 1.378 0.096) 1.383 10.018 ( 0.315 1.224 -0.258) 1.290 10.130 ( 0.265 1.943 -0.129) 1.966======================= Grid point 74 (47/189) =======================q-point: ( 0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.950 ( 0.000 -1.943 -0.000) 1.943 0.988 ( 0.000 -0.171 -0.000) 0.171 1.112 ( 0.000 -1.458 -0.000) 1.458 1.157 ( 0.000 -3.532 -0.000) 3.532 1.187 ( 0.000 -2.417 -0.000) 2.417 1.212 ( 0.000 -5.639 -0.000) 5.639 1.261 ( 0.000 -4.661 -0.000) 4.661 1.291 ( 0.000 -3.674 -0.000) 3.674 1.655 ( 0.000 -5.929 -0.000) 5.929 1.671 ( 0.000 -5.528 -0.000) 5.528 1.714 ( 0.000 -1.864 -0.000) 1.864 1.848 ( 0.000 -3.814 -0.000) 3.814 2.243 ( 0.000 -0.167 -0.000) 0.167 2.389 ( 0.000 -15.337 -0.000) 15.337 2.425 ( 0.000 -11.979 -0.000) 11.979 2.471 ( -0.000 5.941 0.000) 5.941 2.720 ( -0.000 3.109 0.000) 3.109 2.854 ( 0.000 -1.427 -0.000) 1.427 4.273 ( -0.000 15.626 0.000) 15.626 4.315 ( -0.000 15.226 0.000) 15.226 4.575 ( -0.000 19.605 0.000) 19.605 4.713 ( -0.000 2.049 0.000) 2.049 5.134 ( -0.000 8.072 0.000) 8.072 5.176 ( -0.000 4.187 0.000) 4.187 5.278 ( 0.000 -10.380 -0.000) 10.380 5.728 ( 0.000 -4.927 -0.000) 4.927 5.977 ( -0.000 3.436 0.000) 3.436 6.161 ( 0.000 -2.838 -0.000) 2.838 6.331 ( -0.000 0.304 0.000) 0.304 6.431 ( 0.000 -1.516 -0.000) 1.516 6.439 ( -0.000 1.938 0.000) 1.938 6.663 ( -0.000 4.037 0.000) 4.037 6.791 ( 0.000 -2.444 -0.000) 2.444 6.949 ( -0.000 2.742 0.000) 2.742 7.658 ( -0.000 2.706 0.000) 2.706 7.707 ( -0.000 3.818 0.000) 3.818 7.979 ( 0.000 -0.228 -0.000) 0.228 8.124 ( -0.000 7.112 0.000) 7.112 8.947 ( -0.000 0.684 0.000) 0.684 9.155 ( -0.000 1.309 0.000) 1.309 9.996 ( -0.000 1.126 0.000) 1.126 10.096 ( -0.000 1.539 0.000) 1.539======================= Grid point 86 (48/189) =======================q-point: ( 0.46 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.744 ( 2.487 0.000 -0.005) 2.487 0.918 ( -2.476 -0.000 -0.310) 2.496 0.996 ( 3.964 0.000 1.340) 4.184 1.017 ( -0.772 -0.000 -1.267) 1.484 1.024 ( 4.698 0.000 -5.453) 7.197 1.052 ( -0.138 -0.000 7.734) 7.735 1.125 ( -1.729 -0.000 -1.333) 2.183 1.134 ( -3.863 -0.000 -0.115) 3.865 1.263 ( -1.478 -0.000 -0.570) 1.584 1.276 ( -0.013 -0.000 -0.135) 0.136 1.391 ( 0.387 0.000 0.696) 0.796 1.589 ( 0.228 0.000 0.259) 0.344 1.790 ( -0.402 -0.000 -2.392) 2.426 2.092 ( 8.634 0.000 11.499) 14.380 2.302 ( -6.406 -0.000 -9.986) 11.864 2.530 ( -0.181 -0.000 -0.108) 0.211 2.867 ( 0.518 0.000 0.332) 0.616 3.062 ( 0.991 0.000 0.760) 1.249 3.373 ( 0.779 0.000 -1.179) 1.413 4.062 ( 2.942 0.000 2.236) 3.695 4.720 ( 2.726 0.000 -1.669) 3.196 5.225 ( 0.693 0.000 -1.025) 1.237 5.246 ( 4.354 0.000 0.517) 4.384 5.378 ( -2.550 -0.000 -3.165) 4.064 5.901 ( 1.995 0.000 -1.147) 2.301 6.001 ( -1.407 -0.000 0.014) 1.408 6.149 ( -0.164 -0.000 -0.007) 0.164 6.198 ( -1.313 -0.000 -0.037) 1.313 6.288 ( -1.790 -0.000 0.016) 1.790 6.326 ( 5.414 0.000 -0.153) 5.416 6.576 ( -3.514 -0.000 -0.666) 3.577 6.820 ( 1.867 0.000 0.964) 2.102 6.916 ( -0.561 -0.000 -1.161) 1.290 7.033 ( 1.367 0.000 1.145) 1.783 7.759 ( 0.653 0.000 7.107) 7.137 7.930 ( -1.214 -0.000 -0.316) 1.255 7.998 ( -0.750 -0.000 -3.680) 3.756 8.441 ( 0.032 0.000 0.686) 0.687 8.980 ( -0.775 -0.000 0.065) 0.778 9.215 ( -0.193 -0.000 0.137) 0.237 10.048 ( 0.231 0.000 -0.453) 0.508 10.179 ( 0.294 0.000 -0.199) 0.355======================= Grid point 87 (49/189) =======================q-point: ( 0.54 0.46 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.890 ( 0.000 -11.448 -0.000) 11.448 0.910 ( 0.000 -0.326 -0.000) 0.326 0.998 ( -0.000 1.366 0.000) 1.366 1.019 ( 0.000 -1.994 -0.000) 1.994 1.056 ( 0.000 -1.538 -0.000) 1.538 1.101 ( 0.000 -3.966 -0.000) 3.966 1.126 ( 0.000 -1.301 -0.000) 1.301 1.181 ( 0.000 -2.867 -0.000) 2.867 1.317 ( 0.000 -7.157 -0.000) 7.157 1.393 ( 0.000 -11.307 -0.000) 11.307 1.417 ( 0.000 -2.969 -0.000) 2.969 1.671 ( 0.000 -6.916 -0.000) 6.916 1.835 ( 0.000 -6.072 -0.000) 6.072 2.173 ( 0.000 -2.971 -0.000) 2.971 2.240 ( -0.000 1.099 0.000) 1.099 2.525 ( -0.000 0.148 0.000) 0.148 2.828 ( -0.000 3.272 0.000) 3.272 3.019 ( -0.000 4.153 0.000) 4.153 3.733 ( 0.000 -31.390 -0.000) 31.390 4.268 ( 0.000 -17.849 -0.000) 17.849 4.718 ( -0.000 2.477 0.000) 2.477 5.172 ( -0.000 6.381 0.000) 6.381 5.212 ( -0.000 2.890 0.000) 2.890 5.443 ( 0.000 -6.958 -0.000) 6.958 5.595 ( -0.000 22.580 0.000) 22.580 5.811 ( -0.000 16.986 0.000) 16.986 6.157 ( -0.000 3.492 0.000) 3.492 6.212 ( -0.000 5.894 0.000) 5.894 6.295 ( 0.000 -6.095 -0.000) 6.095 6.379 ( 0.000 -2.913 -0.000) 2.913 6.545 ( -0.000 2.059 0.000) 2.059 6.799 ( -0.000 2.405 0.000) 2.405 6.875 ( -0.000 3.927 0.000) 3.927 7.031 ( -0.000 0.891 0.000) 0.891 7.761 ( -0.000 1.451 0.000) 1.451 7.886 ( -0.000 3.821 0.000) 3.821 7.982 ( -0.000 0.655 0.000) 0.655 8.394 ( -0.000 4.837 0.000) 4.837 8.973 ( -0.000 0.506 0.000) 0.506 9.205 ( -0.000 1.010 0.000) 1.010 10.039 ( -0.000 0.865 0.000) 0.865 10.164 ( -0.000 1.457 0.000) 1.457======================= Grid point 175 (50/189) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.227 ( -4.343 -0.000 10.400) 11.271 0.313 ( -3.628 -0.000 14.035) 14.497 0.532 ( 1.925 0.000 -3.857) 4.311 0.632 ( 5.664 0.000 28.841) 29.392 0.827 ( 1.198 0.000 -9.344) 9.420 1.172 ( -0.045 -0.000 0.025) 0.052 1.250 ( 0.257 0.000 -0.748) 0.791 1.255 ( -1.485 -0.000 5.764) 5.953 1.383 ( -0.295 -0.000 0.464) 0.550 1.467 ( -0.188 -0.000 -2.101) 2.109 1.525 ( -6.699 -0.000 -6.843) 9.576 1.546 ( -0.014 -0.000 0.058) 0.060 1.669 ( 3.191 0.000 4.355) 5.399 2.009 ( 1.907 0.000 -1.657) 2.526 2.437 ( 1.169 0.000 -2.187) 2.480 2.608 ( -1.672 -0.000 -7.658) 7.838 2.778 ( 2.070 0.000 1.592) 2.611 2.857 ( -1.014 -0.000 -0.294) 1.056 3.268 ( -3.667 -0.000 2.541) 4.461 3.494 ( 4.958 0.000 -3.730) 6.204 4.167 ( -1.568 -0.000 1.154) 1.947 4.679 ( 0.270 0.000 0.090) 0.284 5.026 ( 1.112 0.000 0.114) 1.118 5.336 ( -12.398 -0.000 3.226) 12.810 5.657 ( 15.063 0.000 1.800) 15.170 5.739 ( 0.619 0.000 -0.439) 0.759 6.249 ( 2.686 0.000 -0.408) 2.717 6.256 ( -2.613 -0.000 -0.380) 2.640 6.342 ( -0.523 -0.000 0.259) 0.583 6.402 ( 0.459 0.000 0.414) 0.618 6.735 ( 0.826 0.000 -0.063) 0.829 6.773 ( 1.419 0.000 -0.217) 1.435 6.994 ( -0.311 -0.000 -2.561) 2.580 7.126 ( 2.117 0.000 -10.574) 10.784 7.648 ( 2.607 0.000 3.931) 4.717 7.915 ( 1.723 0.000 3.973) 4.331 8.019 ( -1.427 -0.000 2.861) 3.197 8.457 ( 0.967 0.000 -2.697) 2.865 9.021 ( 0.095 0.000 3.271) 3.272 9.220 ( 0.405 0.000 0.394) 0.565 10.092 ( 4.050 0.000 -0.840) 4.136 10.226 ( -4.399 -0.000 -0.723) 4.458======================= Grid point 176 (51/189) =======================q-point: ( 0.08 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.475 ( -0.241 -11.640 8.487) 14.407 0.619 ( 1.451 -22.070 2.984) 22.319 0.734 ( 3.583 -3.055 15.780) 16.467 0.744 ( 1.928 -13.509 1.093) 13.690 0.832 ( 4.551 -5.367 -4.860) 8.551 1.198 ( -1.212 -0.308 -0.078) 1.253 1.210 ( -0.063 -0.928 -1.629) 1.875 1.278 ( -1.069 0.910 3.186) 3.481 1.395 ( -1.899 -0.639 -0.752) 2.140 1.412 ( -0.981 -2.514 1.499) 3.087 1.561 ( -1.247 -9.963 -2.300) 10.301 1.691 ( -0.190 -3.751 6.760) 7.733 1.770 ( 0.168 -13.428 -2.872) 13.733 2.035 ( 1.823 -1.988 -4.415) 5.174 2.399 ( 2.454 3.286 -1.370) 4.324 2.542 ( -0.888 0.747 -6.714) 6.813 2.746 ( -0.930 2.194 0.184) 2.390 2.772 ( 1.700 1.689 1.343) 2.747 3.963 ( 3.646 -39.718 0.433) 39.888 4.243 ( -3.803 -20.348 -5.842) 21.509 4.380 ( -1.412 -40.501 -18.250) 44.445 4.720 ( 1.749 -5.283 -1.229) 5.699 5.014 ( 0.103 1.785 0.816) 1.965 5.291 ( -8.175 -1.330 6.010) 10.233 5.721 ( 2.313 2.548 -1.583) 3.788 5.766 ( 8.168 -2.415 -11.999) 14.715 6.208 ( -0.778 4.107 -0.299) 4.191 6.295 ( 3.136 -3.117 -2.896) 5.286 6.301 ( -2.057 2.767 0.384) 3.470 6.373 ( -0.965 2.657 -0.531) 2.876 6.692 ( -0.083 4.909 -1.723) 5.203 6.772 ( 1.211 0.935 3.394) 3.722 6.953 ( -0.127 3.143 -3.072) 4.397 7.070 ( -3.877 1.321 -10.592) 11.357 7.669 ( 3.430 1.000 4.095) 5.435 7.896 ( 1.586 4.166 3.254) 5.519 8.007 ( -1.226 0.956 2.224) 2.713 8.343 ( 0.288 8.562 3.213) 9.150 9.016 ( 0.224 1.347 3.437) 3.699 9.207 ( 0.424 1.647 0.381) 1.743 10.050 ( 1.250 4.200 -0.244) 4.389 10.152 ( -2.221 3.082 1.681) 4.154======================= Grid point 177 (52/189) =======================q-point: ( 0.15 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( -0.123 -12.701 4.235) 13.389 0.838 ( 1.997 -4.346 13.508) 14.330 0.884 ( 0.185 -8.308 -4.074) 9.254 0.994 ( 0.684 -9.552 -1.094) 9.639 1.059 ( 4.200 -9.791 -0.039) 10.654 1.171 ( -1.649 -1.585 -4.926) 5.431 1.231 ( -2.722 0.560 3.049) 4.126 1.330 ( 0.173 -3.842 -2.313) 4.488 1.435 ( -0.974 -7.828 2.367) 8.236 1.560 ( 1.436 -9.920 -1.228) 10.099 1.700 ( 1.126 -4.325 7.608) 8.824 1.886 ( -0.700 -15.176 2.547) 15.404 1.981 ( -1.102 -3.530 -0.656) 3.756 2.130 ( 0.524 -13.116 -8.147) 15.449 2.370 ( 1.824 0.173 0.905) 2.043 2.517 ( -1.205 -0.255 -6.143) 6.265 2.700 ( 0.549 2.666 -0.066) 2.723 2.770 ( 1.091 0.081 1.074) 1.533 4.381 ( 2.306 -1.255 -0.693) 2.716 4.586 ( 1.828 4.112 -1.526) 4.752 4.726 ( -3.444 -28.364 4.401) 28.909 4.975 ( -1.785 1.575 1.601) 2.869 5.118 ( 0.324 -23.894 -6.633) 24.800 5.365 ( -4.430 -8.071 7.310) 11.756 5.650 ( -0.298 4.574 -3.060) 5.511 5.823 ( 0.927 -5.999 -11.651) 13.137 6.111 ( -1.497 4.049 0.165) 4.320 6.238 ( -4.706 2.492 0.500) 5.349 6.282 ( 0.077 2.958 1.342) 3.249 6.350 ( -0.423 -0.001 -7.601) 7.613 6.593 ( 0.610 2.634 -0.421) 2.736 6.742 ( -0.977 3.824 2.823) 4.852 6.864 ( 1.650 5.661 -0.801) 5.951 6.993 ( -3.897 0.922 -9.605) 10.406 7.672 ( 1.034 1.209 4.700) 4.962 7.809 ( 1.458 5.602 0.775) 5.841 7.989 ( -0.997 0.949 1.736) 2.215 8.200 ( 1.404 7.914 3.096) 8.613 8.998 ( 0.513 1.773 3.234) 3.724 9.170 ( 0.388 2.352 0.391) 2.415 9.989 ( 0.532 2.428 -1.036) 2.693 10.099 ( -0.250 2.136 0.398) 2.188======================= Grid point 178 (53/189) =======================q-point: ( 0.23 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.947 ( 0.164 -7.401 2.298) 7.751 0.997 ( -0.434 -8.624 7.260) 11.282 1.033 ( -1.537 -8.473 -0.724) 8.642 1.104 ( 1.050 -3.322 -0.951) 3.612 1.176 ( 0.177 -3.510 -1.177) 3.707 1.221 ( 0.226 -2.199 -2.225) 3.137 1.232 ( -1.688 -2.845 1.953) 3.842 1.369 ( 0.134 -2.797 -2.809) 3.967 1.629 ( -0.219 -8.238 4.221) 9.259 1.683 ( -0.511 -3.283 -0.183) 3.328 1.865 ( 1.144 -7.885 -0.873) 8.016 1.962 ( -1.033 0.477 -2.610) 2.847 2.170 ( -1.204 -7.953 4.986) 9.464 2.309 ( 2.678 -5.270 1.855) 6.195 2.478 ( -1.690 -2.297 -4.517) 5.342 2.511 ( 0.051 -10.677 -4.359) 11.533 2.659 ( 0.965 1.188 0.327) 1.565 2.789 ( 0.419 -1.740 0.927) 2.015 4.290 ( -0.521 8.872 -0.626) 8.909 4.442 ( -0.018 8.096 -1.034) 8.162 4.896 ( -4.691 3.327 1.578) 5.964 5.118 ( -5.909 -12.119 -0.552) 13.494 5.308 ( -2.090 3.650 8.460) 9.448 5.498 ( -6.776 1.388 -8.272) 10.782 5.588 ( -5.513 -7.764 6.928) 11.775 5.905 ( -0.117 -3.252 -8.836) 9.416 6.085 ( 0.895 -1.811 -0.640) 2.119 6.174 ( -4.565 0.362 -1.652) 4.868 6.235 ( -1.187 3.268 1.641) 3.844 6.316 ( -2.311 -2.056 -2.999) 4.309 6.620 ( -1.776 3.914 2.024) 4.751 6.674 ( 1.305 -4.552 -0.323) 4.746 6.761 ( 2.596 5.829 1.919) 6.663 6.938 ( -2.075 0.550 -7.914) 8.200 7.666 ( -0.739 1.077 5.069) 5.235 7.727 ( 0.801 3.100 -1.473) 3.525 7.967 ( -0.866 1.606 2.108) 2.788 8.078 ( 1.657 5.900 0.380) 6.141 8.976 ( 0.624 1.654 2.158) 2.790 9.131 ( 0.635 2.090 0.389) 2.219 9.955 ( 0.573 1.121 -1.229) 1.760 10.070 ( 0.319 1.103 -0.069) 1.150======================= Grid point 179 (54/189) =======================q-point: ( 0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.048 ( -0.294 -3.130 1.119) 3.337 1.135 ( -1.024 -1.933 -1.261) 2.525 1.150 ( -2.127 -4.774 1.902) 5.562 1.194 ( 0.712 -7.148 3.752) 8.104 1.229 ( -1.263 -1.077 -0.369) 1.700 1.271 ( -0.264 -6.318 1.856) 6.591 1.314 ( -0.186 -5.378 -3.440) 6.386 1.442 ( 0.153 -5.631 -2.077) 6.004 1.693 ( -0.108 0.429 -0.796) 0.911 1.738 ( -0.337 -0.885 2.754) 2.912 1.888 ( -2.083 1.527 0.939) 2.748 1.998 ( -0.283 -1.982 -4.531) 4.953 2.154 ( -0.325 6.177 5.213) 8.090 2.319 ( 1.098 7.025 -5.079) 8.738 2.576 ( -0.396 -9.691 4.558) 10.717 2.695 ( 0.741 -4.350 -1.879) 4.796 2.719 ( -1.327 -7.268 0.783) 7.430 2.879 ( 1.855 -7.994 -1.589) 8.359 4.125 ( -3.610 5.570 1.408) 6.785 4.304 ( -3.146 4.458 -2.212) 5.887 4.770 ( -12.191 5.236 -0.657) 13.284 5.053 ( -9.683 11.760 1.295) 15.288 5.255 ( -4.460 5.641 6.322) 9.575 5.368 ( -7.968 -1.588 -2.867) 8.615 5.723 ( -7.551 -6.184 0.389) 9.768 5.887 ( -1.795 0.185 -6.008) 6.273 6.096 ( 3.474 2.452 0.170) 4.256 6.185 ( -0.002 -2.427 -0.734) 2.535 6.231 ( -3.821 -4.210 0.289) 5.693 6.369 ( -3.024 -3.449 0.464) 4.610 6.519 ( 0.984 3.886 0.914) 4.111 6.631 ( 2.030 7.140 2.298) 7.770 6.835 ( 0.610 -5.358 -1.387) 5.568 6.890 ( -0.552 1.725 -4.004) 4.395 7.646 ( -0.360 1.709 2.077) 2.713 7.691 ( -1.125 1.172 -0.481) 1.694 7.923 ( -0.327 3.033 2.478) 3.930 8.013 ( 1.027 1.628 -0.769) 2.073 8.955 ( 0.541 1.313 0.458) 1.492 9.102 ( 0.904 1.480 0.293) 1.759 9.942 ( 0.582 0.402 -0.431) 0.829 10.057 ( 0.345 0.472 -0.166) 0.608======================= Grid point 180 (55/189) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( 0.172 -0.840 0.692) 1.102 1.146 ( -0.884 -0.544 -1.550) 1.865 1.202 ( -0.056 -1.392 -0.086) 1.396 1.218 ( -2.389 -0.245 0.611) 2.478 1.368 ( -0.164 -3.853 0.019) 3.857 1.370 ( -0.465 -7.945 3.491) 8.690 1.421 ( -1.382 -6.336 -0.968) 6.557 1.561 ( -0.570 -6.843 -2.446) 7.290 1.656 ( -0.323 2.166 -3.010) 3.722 1.725 ( 1.546 2.188 0.766) 2.787 1.828 ( -1.463 4.940 2.588) 5.765 1.963 ( -1.064 3.074 -4.220) 5.328 2.034 ( 0.845 7.279 5.237) 9.007 2.167 ( 1.656 6.944 -2.266) 7.489 2.705 ( -0.969 -3.333 0.355) 3.489 2.806 ( 0.809 -3.134 1.019) 3.393 2.810 ( -1.720 -7.166 1.400) 7.502 3.050 ( 2.055 -7.340 -1.395) 7.749 4.077 ( -4.813 -2.327 2.636) 5.961 4.233 ( -5.016 0.007 -2.817) 5.753 4.568 ( -14.343 7.399 -0.813) 16.159 4.750 ( -9.350 13.045 -1.231) 16.097 5.095 ( -3.930 6.273 2.802) 7.915 5.412 ( -7.422 -4.456 1.138) 8.731 5.743 ( -3.556 -0.496 -3.479) 4.999 5.900 ( -3.778 -4.797 -0.768) 6.154 6.073 ( 2.247 2.475 3.097) 4.557 6.216 ( -3.783 -2.609 -0.905) 4.684 6.308 ( 0.029 -2.721 -0.148) 2.725 6.388 ( 0.153 -1.064 1.800) 2.097 6.504 ( 1.053 3.091 3.624) 4.878 6.522 ( 2.606 2.446 -2.609) 4.425 6.814 ( -0.461 3.256 -2.622) 4.206 6.894 ( 0.857 0.260 -1.013) 1.352 7.621 ( -0.589 1.056 0.076) 1.211 7.634 ( -0.527 3.898 -1.774) 4.315 7.891 ( -0.821 0.567 2.711) 2.888 8.006 ( 0.382 -0.170 0.704) 0.819 8.933 ( 0.085 1.093 -1.174) 1.607 9.084 ( 0.775 0.967 0.076) 1.242 9.941 ( 0.535 0.021 0.444) 0.695 10.052 ( 0.234 0.153 -0.111) 0.301======================= Grid point 181 (56/189) =======================q-point: ( 0.46 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( 0.235 -0.103 0.441) 0.510 1.141 ( -0.223 0.115 -1.620) 1.640 1.200 ( -0.657 0.855 0.602) 1.235 1.220 ( -0.209 -0.206 -0.418) 0.511 1.443 ( 0.300 -3.754 0.180) 3.770 1.484 ( -1.466 -0.100 0.584) 1.582 1.510 ( -1.368 -6.338 1.367) 6.627 1.625 ( -0.427 -1.281 -2.272) 2.643 1.652 ( 1.193 -0.531 -2.057) 2.437 1.672 ( -2.546 3.177 -0.935) 4.178 1.724 ( 1.380 3.103 0.133) 3.399 1.863 ( -0.627 5.060 -3.553) 6.215 1.978 ( 1.782 0.259 5.319) 5.616 2.078 ( 1.224 2.538 -0.069) 2.819 2.730 ( -0.335 -0.276 -1.611) 1.668 2.851 ( -0.070 -1.073 0.831) 1.359 2.931 ( -0.575 -4.584 3.942) 6.073 3.141 ( 1.217 -1.563 -1.815) 2.686 4.152 ( -1.630 -4.714 2.923) 5.781 4.223 ( -3.931 -2.498 -3.458) 5.801 4.366 ( -7.146 6.011 -3.225) 9.879 4.480 ( -5.586 9.553 1.375) 11.152 5.023 ( -1.639 0.889 2.515) 3.131 5.420 ( -2.095 0.695 -2.305) 3.191 5.751 ( -1.573 -3.423 -1.304) 3.987 5.988 ( -1.372 -3.929 4.825) 6.372 6.057 ( 1.411 0.263 1.599) 2.149 6.231 ( -2.460 -0.786 -0.901) 2.735 6.310 ( 1.023 0.933 -1.080) 1.756 6.402 ( 1.568 4.110 -1.016) 4.515 6.464 ( 0.634 -2.257 3.801) 4.466 6.544 ( 1.344 -1.105 -1.606) 2.368 6.763 ( 0.892 0.691 0.489) 1.229 6.865 ( -0.132 1.580 -2.392) 2.870 7.538 ( 0.676 4.223 -3.673) 5.637 7.610 ( -0.324 0.165 -0.399) 0.539 7.898 ( -0.996 -0.537 3.268) 3.459 8.019 ( -0.707 -0.695 1.570) 1.857 8.906 ( -0.739 0.973 -2.199) 2.516 9.073 ( 0.220 0.501 -0.103) 0.557 9.948 ( 0.470 -0.250 0.927) 1.069 10.052 ( 0.131 -0.063 -0.048) 0.153======================= Grid point 182 (57/189) =======================q-point: (-0.46 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.093 ( -0.617 0.504 0.054) 0.799 1.131 ( 0.992 0.701 -1.270) 1.757 1.190 ( 0.678 0.309 0.528) 0.913 1.213 ( 0.757 0.833 -0.334) 1.174 1.432 ( -0.068 4.536 0.250) 4.543 1.493 ( 0.842 0.782 0.663) 1.327 1.512 ( -0.126 5.657 0.831) 5.719 1.592 ( 0.371 0.503 -1.097) 1.263 1.652 ( -0.628 -1.404 -1.730) 2.315 1.697 ( -2.288 -4.603 -1.326) 5.309 1.745 ( -0.556 -2.567 -2.596) 3.693 1.769 ( -1.271 1.676 1.042) 2.347 2.050 ( 2.261 -4.412 3.200) 5.900 2.097 ( -0.052 -4.312 -0.518) 4.343 2.708 ( 1.146 2.526 -0.886) 2.912 2.844 ( -0.318 2.000 0.578) 2.106 2.986 ( -1.084 0.137 4.421) 4.554 3.119 ( 1.360 3.443 -2.713) 4.589 4.135 ( 0.943 6.230 2.091) 6.639 4.259 ( 1.234 2.251 -3.202) 4.104 4.281 ( -0.314 -5.904 -4.123) 7.208 4.438 ( 4.119 -4.694 3.445) 7.132 5.039 ( 1.478 -1.707 1.788) 2.880 5.381 ( 5.676 2.967 -1.977) 6.702 5.830 ( 1.585 -4.483 -1.293) 4.928 6.016 ( 5.950 3.469 4.064) 7.996 6.102 ( -1.522 -2.835 2.392) 4.010 6.212 ( 1.252 1.583 -1.115) 2.306 6.302 ( -0.575 -0.474 -1.605) 1.770 6.363 ( -0.579 -0.861 -0.123) 1.045 6.477 ( 1.830 2.373 2.673) 4.016 6.577 ( 0.360 -1.855 -0.503) 1.955 6.811 ( -0.185 -3.874 1.633) 4.208 6.845 ( -0.047 -1.245 -3.733) 3.936 7.481 ( 1.979 0.943 -3.140) 3.830 7.608 ( 0.189 -0.294 -1.175) 1.226 7.915 ( -0.705 -0.534 3.517) 3.626 8.028 ( -1.817 -0.431 1.433) 2.354 8.877 ( -1.530 0.669 -2.267) 2.815 9.067 ( -0.475 -0.047 -0.102) 0.488 9.960 ( 0.333 -0.463 0.899) 1.064 10.055 ( 0.015 -0.236 -0.052) 0.242======================= Grid point 183 (58/189) =======================q-point: (-0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( -1.058 0.883 0.122) 1.383 1.118 ( 2.494 1.521 -0.791) 3.026 1.164 ( -1.090 2.903 0.388) 3.125 1.208 ( 3.197 1.378 0.299) 3.494 1.316 ( -0.270 6.444 0.519) 6.470 1.394 ( -1.016 5.571 1.085) 5.765 1.478 ( 2.988 3.413 1.279) 4.713 1.532 ( 2.362 5.275 -2.208) 6.187 1.631 ( -2.728 0.545 -3.353) 4.357 1.724 ( -2.222 0.053 0.840) 2.376 1.819 ( -0.401 -6.895 1.572) 7.083 1.856 ( 0.870 -6.493 -0.508) 6.571 2.161 ( 1.584 -4.454 1.486) 4.955 2.221 ( -0.561 -8.219 -1.859) 8.445 2.640 ( 1.792 5.076 0.619) 5.419 2.773 ( -1.319 5.226 0.544) 5.417 2.934 ( -2.105 5.325 3.352) 6.635 3.023 ( 1.244 6.301 -3.079) 7.122 4.062 ( 3.036 1.709 2.188) 4.114 4.262 ( 5.440 -1.042 -2.757) 6.187 4.447 ( 3.870 -11.984 -3.132) 12.977 4.607 ( 10.929 -6.229 2.955) 12.922 5.119 ( 4.624 -4.615 0.977) 6.606 5.362 ( 10.408 3.597 0.615) 11.030 5.885 ( 5.683 3.278 -0.923) 6.625 5.979 ( 3.113 0.761 -3.372) 4.652 6.109 ( 4.198 3.170 3.429) 6.279 6.219 ( 0.108 -2.108 -1.339) 2.499 6.301 ( -0.091 0.927 0.200) 0.952 6.437 ( -1.784 -5.818 1.919) 6.381 6.451 ( 1.624 0.397 1.352) 2.150 6.584 ( 0.637 0.947 0.808) 1.398 6.850 ( -2.726 -1.699 -3.113) 4.473 6.915 ( 2.009 -4.195 -1.282) 4.825 7.506 ( 1.943 -2.476 -0.245) 3.157 7.619 ( 0.698 -1.267 -1.327) 1.963 7.928 ( -0.460 -0.176 2.945) 2.986 8.023 ( -2.106 0.145 0.633) 2.204 8.855 ( -1.809 -0.020 -1.309) 2.233 9.070 ( -0.946 -0.664 0.065) 1.158 9.974 ( 0.063 -0.600 0.415) 0.732 10.061 ( -0.151 -0.389 -0.118) 0.434======================= Grid point 184 (59/189) =======================q-point: (-0.31 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( -1.281 7.588 2.551) 8.107 1.077 ( 0.571 4.815 0.691) 4.897 1.092 ( 1.378 2.407 -0.124) 2.777 1.167 ( 2.423 3.947 -0.164) 4.634 1.237 ( 0.199 2.304 0.204) 2.321 1.277 ( -1.498 5.732 1.679) 6.158 1.406 ( 1.195 5.676 -1.104) 5.905 1.449 ( 3.267 3.294 -1.765) 4.964 1.608 ( -1.608 0.050 -1.103) 1.950 1.693 ( -1.322 3.076 2.082) 3.942 1.926 ( 1.162 -3.478 0.415) 3.690 1.992 ( 2.700 -4.751 -1.086) 5.571 2.194 ( 0.674 2.863 0.315) 2.958 2.331 ( -2.637 -2.488 -1.224) 3.826 2.577 ( 2.664 2.297 2.553) 4.346 2.649 ( -1.301 5.092 -0.840) 5.322 2.808 ( -2.566 6.795 1.984) 7.530 2.870 ( 0.743 8.834 -3.089) 9.389 4.136 ( 1.524 -7.163 1.183) 7.418 4.323 ( 3.906 -3.318 -2.196) 5.576 4.710 ( 9.413 -8.162 -1.593) 12.561 4.825 ( 6.244 -12.912 3.630) 14.795 5.265 ( 7.017 -6.211 -1.128) 9.438 5.352 ( 10.029 3.959 2.983) 11.187 5.778 ( 5.785 8.632 0.545) 10.405 5.990 ( 2.895 -0.478 -7.885) 8.413 6.095 ( 3.159 1.223 3.715) 5.028 6.213 ( -4.193 4.413 -1.131) 6.191 6.259 ( 4.930 2.242 -0.095) 5.416 6.474 ( 0.624 -3.083 -2.102) 3.783 6.566 ( -3.019 -6.705 -0.622) 7.379 6.610 ( 6.021 -1.024 6.154) 8.671 6.817 ( -3.292 1.989 -2.254) 4.458 6.983 ( 2.243 -2.423 -4.219) 5.357 7.557 ( 1.409 -0.985 1.894) 2.558 7.671 ( -0.629 -4.346 0.136) 4.394 7.940 ( -0.034 -0.580 2.692) 2.754 8.007 ( -1.875 0.169 -0.552) 1.962 8.854 ( -1.280 -1.063 0.251) 1.683 9.084 ( -0.879 -1.376 0.271) 1.655 9.985 ( -0.361 -0.615 -0.367) 0.802 10.068 ( -0.425 -0.628 -0.161) 0.775======================= Grid point 185 (60/189) =======================q-point: (-0.23 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.814 ( -1.167 12.280 5.768) 13.618 0.939 ( 0.980 10.558 0.904) 10.642 1.036 ( 1.325 4.633 -0.582) 4.854 1.115 ( 0.529 2.719 -0.412) 2.800 1.192 ( -0.976 2.768 0.099) 2.937 1.198 ( -1.007 2.546 3.475) 4.424 1.300 ( 0.915 4.924 -2.069) 5.418 1.412 ( 1.941 1.708 -4.025) 4.784 1.585 ( -0.223 5.383 4.860) 7.256 1.606 ( -0.750 2.726 -0.037) 2.828 1.882 ( -0.516 14.977 -2.722) 15.231 1.967 ( 1.294 0.993 -0.304) 1.659 2.149 ( 2.181 8.437 4.118) 9.638 2.259 ( -3.173 0.746 0.218) 3.267 2.524 ( 1.646 8.562 -2.739) 9.139 2.633 ( -0.160 -0.098 -1.456) 1.468 2.654 ( -0.960 2.355 -4.202) 4.912 2.766 ( -0.256 1.443 3.078) 3.409 4.300 ( -0.893 -7.447 -0.585) 7.523 4.437 ( 1.007 -8.358 -1.272) 8.514 4.843 ( 4.205 -3.765 1.039) 5.740 5.051 ( 3.322 1.262 5.316) 6.395 5.263 ( 4.921 7.942 -3.360) 9.929 5.438 ( 8.504 -4.024 1.991) 9.616 5.652 ( 0.503 6.166 1.741) 6.427 5.990 ( 5.142 -0.220 -8.340) 9.800 6.085 ( -1.624 2.783 -1.054) 3.390 6.124 ( 3.431 0.011 2.069) 4.006 6.237 ( 4.900 2.402 0.535) 5.483 6.515 ( -0.933 -1.776 -5.445) 5.803 6.625 ( 4.268 2.720 2.721) 5.746 6.697 ( -0.987 -8.449 -0.891) 8.553 6.804 ( -3.521 -2.267 0.658) 4.239 7.014 ( 3.649 -1.464 -6.700) 7.768 7.580 ( 1.419 -0.224 3.013) 3.338 7.755 ( -3.019 -4.609 0.824) 5.571 7.975 ( 1.402 -1.165 3.559) 3.999 8.006 ( -2.632 -2.450 0.138) 3.598 8.883 ( -0.218 -2.034 1.733) 2.682 9.115 ( -0.384 -2.067 0.387) 2.138 9.991 ( -0.765 -0.514 -1.056) 1.401 10.082 ( -0.772 -1.315 -0.063) 1.526======================= Grid point 186 (61/189) =======================q-point: (-0.15 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( 1.684 11.708 11.400) 16.428 0.712 ( -1.329 13.207 4.436) 13.995 0.937 ( 0.790 5.437 -3.010) 6.264 1.019 ( -0.987 8.750 -1.083) 8.872 1.046 ( -5.259 11.206 0.809) 12.405 1.191 ( 0.720 0.978 3.398) 3.608 1.248 ( 1.490 0.130 -1.642) 2.221 1.341 ( 1.519 7.314 -2.663) 7.930 1.468 ( -2.036 3.388 -1.659) 4.287 1.547 ( -1.299 14.302 0.956) 14.393 1.595 ( 1.629 1.018 6.050) 6.348 1.851 ( 1.221 14.552 1.796) 14.713 1.958 ( 0.857 6.743 0.695) 6.833 2.253 ( -2.073 12.143 -7.038) 14.188 2.317 ( 2.295 -1.871 -0.143) 2.964 2.613 ( -1.252 -0.156 -4.585) 4.756 2.679 ( 0.792 -1.930 -0.157) 2.093 2.778 ( -1.679 -1.239 1.675) 2.675 4.363 ( -1.294 1.343 -0.535) 1.941 4.567 ( 1.729 2.502 -1.889) 3.580 4.741 ( -2.675 22.457 5.205) 23.207 4.942 ( 4.441 0.363 1.933) 4.857 5.060 ( 1.508 11.528 -5.774) 12.981 5.385 ( 2.772 10.046 3.587) 11.022 5.668 ( -2.539 -4.831 0.227) 5.462 5.988 ( 6.924 1.068 -14.314) 15.936 6.108 ( 1.627 -4.722 0.193) 4.998 6.183 ( 6.152 -1.710 3.465) 7.265 6.259 ( 2.221 -3.032 -0.519) 3.794 6.540 ( -1.792 -2.041 -10.361) 10.711 6.614 ( 0.385 -0.937 -1.597) 1.891 6.781 ( -4.803 0.592 -2.521) 5.456 6.859 ( -0.661 -7.391 -1.057) 7.495 7.055 ( 5.450 -1.762 -3.863) 6.909 7.607 ( 0.130 -0.861 4.558) 4.641 7.811 ( -3.403 -3.393 -0.090) 4.806 7.994 ( -0.138 -0.526 1.240) 1.354 8.111 ( -0.597 -7.279 7.374) 10.379 8.935 ( 0.674 -2.339 2.784) 3.698 9.158 ( 0.105 -2.303 0.399) 2.339 9.994 ( -0.529 -0.748 -0.684) 1.143 10.113 ( -1.245 -2.533 0.332) 2.842======================= Grid point 187 (62/189) =======================q-point: (-0.08 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.429 ( -0.566 12.429 8.842) 15.263 0.538 ( 2.554 6.421 20.583) 21.712 0.661 ( -7.789 23.318 4.644) 25.020 0.747 ( 0.334 16.084 -2.472) 16.276 0.847 ( -0.504 2.694 -5.526) 6.168 1.202 ( 0.080 -1.400 1.931) 2.386 1.206 ( 0.761 4.092 -0.079) 4.163 1.269 ( 0.474 -0.777 1.167) 1.481 1.405 ( 0.086 3.056 0.434) 3.088 1.436 ( -2.271 -1.801 -2.262) 3.676 1.582 ( -0.525 9.167 -1.393) 9.287 1.625 ( 3.272 2.149 8.508) 9.366 1.780 ( 0.786 12.800 -1.764) 12.945 2.050 ( -1.077 4.348 -4.278) 6.194 2.387 ( 2.522 -3.601 -2.898) 5.265 2.593 ( -1.577 -0.569 -5.460) 5.712 2.726 ( 2.035 -2.292 0.540) 3.112 2.791 ( -4.122 -1.597 1.119) 4.560 3.923 ( 3.849 38.937 -0.901) 39.137 4.288 ( -4.973 9.436 0.706) 10.690 4.506 ( 6.436 34.753 -24.841) 43.200 4.726 ( 1.093 8.566 -4.041) 9.535 5.014 ( -1.139 -1.138 0.344) 1.646 5.314 ( 6.725 1.091 7.584) 10.195 5.721 ( -1.743 -2.273 -0.461) 2.902 5.851 ( -5.080 11.133 -26.240) 28.953 6.203 ( 1.900 -3.398 0.054) 3.893 6.257 ( 3.651 -1.376 0.770) 3.977 6.334 ( -2.745 -2.956 -1.160) 4.198 6.405 ( -3.200 4.098 -6.478) 8.307 6.704 ( -0.105 -5.141 -1.679) 5.409 6.748 ( 0.323 0.395 0.801) 0.950 6.965 ( -0.120 -3.878 -1.337) 4.104 7.107 ( 6.797 -1.275 -4.969) 8.515 7.629 ( -1.631 -0.430 4.452) 4.761 7.866 ( -0.112 -2.924 2.804) 4.053 8.008 ( -1.164 -0.799 2.000) 2.448 8.306 ( 1.097 -10.170 7.585) 12.735 8.989 ( 0.796 -1.732 3.426) 3.921 9.200 ( 0.323 -1.639 0.394) 1.716 10.027 ( 1.870 -2.720 1.285) 3.541 10.169 ( -2.408 -4.208 1.423) 5.053======================= Grid point 189 (63/189) =======================q-point: ( 0.08 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.302 ( 6.104 0.000 7.658) 9.793 0.421 ( 7.745 0.000 11.157) 13.582 0.554 ( 6.292 0.000 -3.722) 7.311 0.791 ( 4.777 0.000 -5.272) 7.114 0.880 ( 6.745 0.000 23.455) 24.406 1.165 ( -1.261 -0.000 0.013) 1.261 1.250 ( 0.526 0.000 -0.786) 0.946 1.267 ( -2.120 -0.000 3.105) 3.760 1.375 ( -1.764 -0.000 0.511) 1.837 1.388 ( -7.665 -0.000 -8.290) 11.290 1.447 ( -1.521 -0.000 -0.881) 1.758 1.549 ( 0.370 0.000 0.123) 0.390 1.711 ( 0.066 0.000 3.466) 3.467 2.020 ( 1.064 0.000 -5.086) 5.196 2.453 ( 3.134 0.000 -0.253) 3.144 2.547 ( -0.630 -0.000 -7.921) 7.946 2.807 ( 0.906 0.000 0.527) 1.048 2.851 ( 1.445 0.000 0.907) 1.706 3.260 ( -0.501 -0.000 1.838) 1.905 3.544 ( 7.954 0.000 -2.999) 8.500 4.196 ( 5.482 0.000 1.107) 5.592 4.707 ( 4.642 0.000 0.095) 4.643 5.041 ( 1.468 0.000 0.372) 1.514 5.282 ( -0.785 -0.000 10.750) 10.778 5.762 ( 4.565 0.000 -1.769) 4.896 5.834 ( 15.010 0.000 -10.166) 18.129 6.212 ( -4.196 -0.000 -0.651) 4.246 6.274 ( 1.625 0.000 -0.123) 1.630 6.322 ( -3.071 -0.000 0.568) 3.123 6.413 ( 0.739 0.000 0.094) 0.745 6.730 ( -0.430 -0.000 -1.980) 2.026 6.801 ( 0.887 0.000 4.003) 4.100 6.947 ( -3.949 -0.000 -10.365) 11.092 7.031 ( -4.841 -0.000 -4.336) 6.499 7.713 ( 3.994 0.000 2.011) 4.471 7.961 ( 3.008 0.000 2.461) 3.887 8.020 ( -1.411 -0.000 2.896) 3.221 8.438 ( -0.875 -0.000 -1.057) 1.372 9.038 ( -0.290 -0.000 2.835) 2.849 9.227 ( 0.416 0.000 0.204) 0.463 10.104 ( 0.083 0.000 -2.655) 2.656 10.179 ( -3.956 -0.000 2.282) 4.567======================= Grid point 190 (64/189) =======================q-point: ( 0.15 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( 2.130 -10.265 7.676) 12.994 0.684 ( 7.268 -16.339 1.931) 17.986 0.743 ( 3.267 -11.603 -4.319) 12.804 0.852 ( 5.668 -5.042 1.540) 7.741 0.923 ( 6.857 -0.403 10.614) 12.643 1.164 ( -2.728 3.411 -4.881) 6.550 1.189 ( -1.841 -2.575 -0.570) 3.216 1.286 ( -1.745 0.368 4.321) 4.675 1.370 ( -2.502 -0.852 0.216) 2.652 1.431 ( 1.642 -5.448 3.277) 6.566 1.533 ( -1.075 -13.195 -1.553) 13.329 1.705 ( -2.240 -7.722 3.529) 8.780 1.758 ( -0.216 -9.377 -0.611) 9.400 2.006 ( -0.921 -0.794 -7.654) 7.750 2.424 ( 2.519 3.309 -0.752) 4.227 2.498 ( 0.081 0.874 -4.834) 4.913 2.736 ( -0.124 2.245 0.095) 2.251 2.820 ( 4.576 2.581 1.401) 5.438 3.995 ( 0.744 -41.313 -3.451) 41.464 4.092 ( -7.953 -45.050 -7.690) 46.388 4.361 ( 5.541 -13.682 -1.386) 14.826 4.757 ( 5.378 -1.795 0.196) 5.673 5.027 ( 1.550 2.514 1.266) 3.213 5.327 ( 3.655 -0.395 10.881) 11.485 5.728 ( 2.985 5.330 -8.363) 10.356 5.800 ( 6.893 3.179 -4.912) 9.041 6.183 ( -2.995 3.312 -0.834) 4.543 6.278 ( -2.364 1.438 0.577) 2.827 6.299 ( 0.817 -1.642 -3.464) 3.920 6.359 ( -1.627 4.855 0.016) 5.120 6.684 ( 0.367 4.102 -0.975) 4.233 6.803 ( -0.595 1.283 3.875) 4.125 6.893 ( -3.906 -0.576 -9.479) 10.269 6.980 ( -2.751 2.597 -1.326) 4.008 7.722 ( 2.054 1.385 2.742) 3.695 7.932 ( 2.000 4.951 1.277) 5.491 8.010 ( -0.600 1.056 2.003) 2.342 8.361 ( 0.554 6.651 1.439) 6.828 9.034 ( -0.331 1.015 2.260) 2.500 9.213 ( 0.257 1.636 0.107) 1.660 10.048 ( -0.473 3.519 -1.259) 3.768 10.144 ( -1.043 2.243 1.629) 2.961======================= Grid point 191 (65/189) =======================q-point: ( 0.23 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( 0.363 -10.830 4.649) 11.791 0.862 ( 1.883 -6.422 -4.486) 8.057 0.941 ( 2.593 -3.182 8.952) 9.848 1.006 ( 2.625 -8.929 -0.281) 9.311 1.091 ( 0.803 -4.009 -3.427) 5.335 1.137 ( 1.953 -5.245 -1.680) 5.844 1.216 ( -3.466 -0.831 3.309) 4.863 1.313 ( -0.928 -2.191 -2.013) 3.116 1.446 ( -0.303 -9.597 3.579) 10.247 1.557 ( 0.435 -7.431 -3.202) 8.104 1.763 ( 1.357 -4.225 6.138) 7.574 1.894 ( -0.092 -17.607 3.221) 17.899 1.939 ( -3.822 -2.687 -3.536) 5.860 2.102 ( 1.686 -15.715 -5.022) 16.584 2.383 ( 0.377 1.105 -2.495) 2.754 2.482 ( 0.084 0.478 -1.733) 1.800 2.704 ( 0.762 1.794 -0.376) 1.985 2.801 ( 2.927 1.872 1.425) 3.755 4.399 ( 2.588 -0.680 -2.240) 3.490 4.586 ( 0.070 2.575 -3.191) 4.101 4.718 ( -3.283 -27.591 4.934) 28.220 4.953 ( -5.877 -1.746 1.560) 6.326 5.024 ( -2.514 -20.535 -7.789) 22.106 5.411 ( 0.239 -2.770 10.108) 10.484 5.610 ( -2.190 4.712 -4.603) 6.942 5.796 ( 1.791 -2.225 -5.601) 6.288 6.098 ( -0.402 2.621 0.041) 2.652 6.188 ( -4.507 5.720 0.405) 7.293 6.273 ( -2.995 0.271 -2.414) 3.856 6.312 ( -0.062 1.564 -1.309) 2.041 6.612 ( 2.438 1.959 1.112) 3.319 6.749 ( -1.287 5.228 3.337) 6.335 6.873 ( 1.016 0.137 -5.078) 5.181 6.898 ( -3.657 3.082 -1.919) 5.153 7.705 ( 0.239 1.856 4.185) 4.584 7.826 ( 1.481 6.369 -1.426) 6.693 7.990 ( -0.751 1.057 1.883) 2.286 8.227 ( 1.348 7.878 1.024) 8.058 9.012 ( -0.443 1.491 1.010) 1.855 9.176 ( 0.364 2.184 0.071) 2.215 9.988 ( 0.610 2.312 -0.885) 2.550 10.102 ( 0.258 2.043 0.587) 2.141======================= Grid point 192 (66/189) =======================q-point: ( 0.31 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( -0.379 -7.094 0.756) 7.145 0.989 ( -2.367 -8.174 -0.853) 8.552 1.065 ( 1.696 -5.590 6.292) 8.586 1.114 ( 1.622 -3.089 -0.582) 3.537 1.154 ( -0.293 -5.605 -4.136) 6.972 1.218 ( 0.278 -0.791 -0.631) 1.050 1.233 ( -1.432 -2.425 3.635) 4.598 1.353 ( -0.180 -3.483 -2.389) 4.227 1.652 ( -0.199 -7.386 3.896) 8.353 1.670 ( -0.558 -4.625 -1.718) 4.965 1.850 ( -1.615 -3.890 -3.210) 5.296 1.936 ( -1.838 -1.968 -0.652) 2.771 2.201 ( 0.802 -6.592 4.932) 8.272 2.341 ( 2.515 -5.142 -1.357) 5.882 2.441 ( -1.584 -5.210 -0.513) 5.470 2.487 ( -0.252 -9.686 -3.139) 10.185 2.672 ( 1.311 1.433 -0.263) 1.960 2.804 ( 1.074 -1.078 1.008) 1.825 4.277 ( -0.793 10.081 -0.930) 10.155 4.429 ( -1.185 9.867 -1.595) 10.065 4.828 ( -8.081 7.370 -0.477) 10.948 5.047 ( -7.748 -8.240 1.368) 11.393 5.297 ( -5.778 -4.338 -0.206) 7.228 5.359 ( -8.960 5.749 -3.742) 11.284 5.567 ( -7.188 -3.921 7.980) 11.434 5.842 ( -2.094 -2.886 -7.195) 8.030 6.089 ( -0.484 -2.590 0.468) 2.676 6.134 ( -0.120 -0.819 -1.712) 1.901 6.241 ( 0.890 2.915 -1.453) 3.377 6.276 ( -3.763 -2.037 3.272) 5.387 6.625 ( -0.576 6.050 2.953) 6.757 6.691 ( 1.423 -5.267 -0.762) 5.509 6.796 ( 0.341 4.982 2.615) 5.637 6.876 ( -0.377 -0.736 -5.193) 5.259 7.689 ( -0.806 1.192 4.900) 5.107 7.718 ( 0.094 4.254 -3.086) 5.256 7.973 ( -0.377 1.200 1.980) 2.346 8.094 ( 1.421 6.449 -0.603) 6.631 8.981 ( -0.413 1.414 -0.646) 1.609 9.139 ( 0.696 1.875 0.022) 2.000 9.960 ( 1.056 1.125 -0.170) 1.553 10.075 ( 0.569 1.225 0.191) 1.365======================= Grid point 193 (67/189) =======================q-point: ( 0.38 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( -1.214 -3.526 0.236) 3.737 1.102 ( -3.059 -4.462 -1.211) 5.543 1.142 ( -0.830 -2.146 0.773) 2.427 1.212 ( -0.860 -0.206 -1.040) 1.365 1.231 ( 1.118 -6.835 3.812) 7.906 1.274 ( 0.274 -6.920 -0.628) 6.953 1.305 ( 0.369 -4.301 0.447) 4.339 1.427 ( -0.647 -5.357 -2.044) 5.770 1.677 ( -0.446 1.012 -3.049) 3.243 1.746 ( -0.349 -1.417 1.213) 1.898 1.872 ( -2.898 -0.039 2.496) 3.825 1.971 ( -0.746 -1.111 -2.623) 2.944 2.180 ( 0.000 5.393 3.233) 6.287 2.300 ( 0.835 6.748 -3.679) 7.731 2.609 ( 0.173 -9.307 6.222) 11.197 2.679 ( -0.677 -2.802 -2.553) 3.851 2.713 ( -0.337 -8.627 -0.436) 8.645 2.894 ( 2.185 -7.934 -0.898) 8.278 4.093 ( -3.809 6.440 1.566) 7.644 4.245 ( -5.007 5.858 -2.356) 8.058 4.609 ( -15.114 7.560 -1.638) 16.979 4.915 ( -13.063 11.375 -2.906) 17.564 5.214 ( -6.342 6.740 -1.572) 9.387 5.284 ( -7.497 -3.278 3.979) 9.098 5.638 ( -9.008 -5.621 2.426) 10.891 5.841 ( -0.725 -0.239 -4.520) 4.584 6.110 ( -6.579 -0.321 -0.961) 6.656 6.172 ( 5.051 -0.830 3.311) 6.096 6.243 ( 2.174 -2.989 1.270) 3.908 6.339 ( -3.253 -4.015 1.015) 5.266 6.540 ( 1.416 2.743 1.195) 3.310 6.656 ( -0.027 6.012 0.972) 6.090 6.817 ( -0.249 -1.655 -2.869) 3.321 6.883 ( 0.949 -1.301 -0.026) 1.610 7.646 ( -0.662 2.224 -1.259) 2.640 7.673 ( -1.486 1.518 0.752) 2.254 7.940 ( 0.648 3.015 2.561) 4.009 8.017 ( 0.516 1.614 -0.644) 1.812 8.951 ( -0.302 1.216 -1.965) 2.330 9.112 ( 0.880 1.434 -0.094) 1.686 9.951 ( 0.965 0.489 0.640) 1.257 10.061 ( 0.446 0.627 0.079) 0.773======================= Grid point 194 (68/189) =======================q-point: ( 0.46 0.08 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( -0.634 -1.561 0.499) 1.757 1.126 ( -0.662 -0.670 -1.723) 1.964 1.185 ( -2.773 -2.526 0.068) 3.751 1.207 ( -0.004 -0.018 -0.484) 0.484 1.359 ( -0.234 -4.996 -0.828) 5.069 1.389 ( -0.829 -5.506 2.467) 6.090 1.413 ( 0.220 -5.919 1.489) 6.107 1.529 ( -2.273 -6.004 -2.586) 6.921 1.639 ( 0.854 1.221 -3.299) 3.620 1.742 ( 1.176 2.109 -0.214) 2.424 1.827 ( -1.491 4.367 2.364) 5.185 1.934 ( 0.186 3.226 -3.585) 4.826 2.069 ( -0.069 6.291 4.887) 7.966 2.172 ( 0.938 5.928 -0.967) 6.079 2.690 ( -0.981 -2.233 -1.830) 3.049 2.796 ( -3.037 -5.737 4.734) 8.034 2.837 ( 2.950 -5.510 -0.100) 6.251 3.060 ( 1.314 -6.924 -1.491) 7.204 4.040 ( -4.536 -3.216 2.325) 6.027 4.154 ( -6.165 -0.214 -2.470) 6.645 4.398 ( -14.091 4.977 -2.139) 15.096 4.624 ( -10.372 9.982 -2.882) 14.681 5.061 ( -4.859 4.719 1.682) 6.979 5.333 ( -7.758 -4.886 0.095) 9.169 5.686 ( -5.057 -2.828 0.433) 5.810 5.857 ( -3.118 -4.336 -0.241) 5.347 6.091 ( -4.024 -1.182 1.183) 4.358 6.193 ( 2.021 0.647 1.923) 2.864 6.322 ( 1.583 -1.518 0.033) 2.194 6.398 ( -0.235 -4.246 1.727) 4.589 6.533 ( 0.387 2.643 2.764) 3.844 6.545 ( 4.226 3.814 -2.205) 6.105 6.795 ( -0.964 1.789 -0.861) 2.207 6.893 ( 0.120 1.282 -1.009) 1.636 7.602 ( -1.065 2.796 -3.054) 4.275 7.619 ( -0.540 1.830 -0.922) 2.119 7.909 ( 0.536 1.185 3.116) 3.377 8.011 ( -0.411 -0.250 1.226) 1.317 8.919 ( -0.383 1.254 -2.508) 2.830 9.092 ( 0.681 1.168 -0.189) 1.366 9.953 ( 0.653 0.125 1.009) 1.208 10.055 ( 0.268 0.259 0.050) 0.376======================= Grid point 195 (69/189) =======================q-point: ( 0.54 0.08 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( 0.549 0.221 0.500) 0.774 1.128 ( -0.424 -0.556 -1.647) 1.789 1.197 ( -0.232 -0.109 0.257) 0.363 1.214 ( -0.285 -0.719 -0.651) 1.011 1.446 ( 0.310 -4.394 -0.078) 4.405 1.470 ( -1.721 -1.300 0.660) 2.256 1.506 ( -0.921 -4.735 1.477) 5.045 1.602 ( -1.194 -3.449 -1.586) 3.980 1.630 ( -1.665 0.303 -1.886) 2.534 1.670 ( 1.845 4.905 -0.775) 5.298 1.738 ( 0.955 3.524 0.362) 3.669 1.843 ( 0.131 4.987 -2.263) 5.478 2.025 ( 1.332 0.041 4.033) 4.248 2.082 ( -0.297 2.821 -0.512) 2.882 2.718 ( -0.082 -1.327 -1.614) 2.091 2.856 ( -0.189 -1.143 1.192) 1.663 2.954 ( 0.222 -4.175 3.584) 5.507 3.139 ( 0.603 -1.409 -2.154) 2.643 4.148 ( -2.385 -5.222 0.204) 5.745 4.172 ( -1.684 -6.089 0.525) 6.339 4.270 ( -5.907 1.426 -3.311) 6.920 4.423 ( -6.007 4.880 1.106) 7.818 5.012 ( -2.660 -0.944 1.716) 3.303 5.376 ( -2.964 -3.379 -2.741) 5.264 5.734 ( -0.971 -4.677 0.357) 4.790 5.956 ( -6.051 -7.475 1.897) 9.803 6.112 ( 2.533 0.143 3.861) 4.620 6.192 ( -1.613 -0.704 -1.642) 2.407 6.333 ( 3.158 0.864 -0.588) 3.326 6.427 ( 3.639 5.987 -1.211) 7.110 6.492 ( 0.918 -3.832 2.193) 4.509 6.555 ( 2.000 0.478 -0.299) 2.078 6.774 ( -0.030 -0.724 1.521) 1.685 6.839 ( -1.712 2.538 -2.713) 4.091 7.519 ( 0.607 3.132 -4.459) 5.482 7.603 ( -0.237 0.094 -0.687) 0.733 7.914 ( -0.020 -0.264 3.468) 3.478 8.017 ( -1.471 -0.220 1.871) 2.390 8.884 ( -0.611 1.291 -2.081) 2.524 9.074 ( 0.177 0.847 -0.144) 0.877 9.959 ( 0.306 -0.151 0.853) 0.919 10.053 ( 0.124 0.018 -0.010) 0.126======================= Grid point 196 (70/189) =======================q-point: (-0.38 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( -0.480 1.126 0.047) 1.225 1.137 ( 1.213 -0.303 -0.768) 1.467 1.193 ( -0.123 0.866 0.029) 0.875 1.229 ( 1.653 -0.550 0.291) 1.766 1.432 ( -0.234 4.299 0.286) 4.315 1.498 ( -0.948 5.170 1.290) 5.413 1.519 ( 0.642 -1.078 0.552) 1.371 1.595 ( 0.942 0.295 -0.077) 0.990 1.638 ( -0.064 1.467 -1.990) 2.472 1.667 ( -1.589 -6.265 -0.678) 6.499 1.724 ( -0.562 0.915 -1.948) 2.224 1.772 ( -0.213 -1.253 2.101) 2.456 2.079 ( -0.102 -4.071 0.247) 4.080 2.089 ( 0.297 -3.968 -0.468) 4.006 2.717 ( 1.308 1.652 -0.652) 2.206 2.846 ( -0.007 2.505 0.462) 2.547 2.997 ( -1.505 0.857 3.640) 4.031 3.116 ( 1.106 3.258 -2.744) 4.401 4.160 ( 0.847 4.194 2.106) 4.769 4.251 ( 1.023 -2.485 -2.494) 3.667 4.276 ( 1.633 -5.723 0.308) 5.959 4.497 ( 2.744 -10.511 3.227) 11.332 5.060 ( 0.638 -3.815 0.966) 3.987 5.425 ( 4.134 -1.946 -1.656) 4.859 5.843 ( 2.085 -5.601 -1.301) 6.116 6.064 ( -5.328 -6.186 0.555) 8.184 6.091 ( 3.715 5.061 0.755) 6.324 6.213 ( -1.054 -2.126 0.416) 2.409 6.320 ( 4.914 2.359 -1.336) 5.612 6.370 ( 1.940 0.430 -0.179) 1.995 6.510 ( 1.184 2.807 1.733) 3.505 6.586 ( 2.107 -2.109 -0.375) 3.005 6.782 ( -4.208 -0.589 -2.163) 4.767 6.838 ( 0.916 -4.126 -0.987) 4.340 7.487 ( 2.221 -0.303 -2.245) 3.172 7.604 ( 0.134 -0.438 -0.711) 0.845 7.931 ( -0.037 -0.380 3.000) 3.024 8.013 ( -2.469 0.007 1.435) 2.856 8.854 ( -0.741 0.930 -0.696) 1.377 9.062 ( -0.397 0.275 0.081) 0.489 9.966 ( -0.008 -0.340 0.286) 0.444 10.055 ( 0.011 -0.150 -0.138) 0.204======================= Grid point 197 (71/189) =======================q-point: (-0.31 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( -0.685 0.788 0.648) 1.228 1.139 ( 2.190 0.915 -0.668) 2.466 1.159 ( -0.661 2.852 1.367) 3.231 1.240 ( 2.170 1.064 0.388) 2.448 1.317 ( -0.410 6.599 1.088) 6.700 1.388 ( -1.247 5.734 1.191) 5.988 1.517 ( 2.986 4.287 -0.200) 5.228 1.549 ( 2.718 4.935 -1.887) 5.942 1.586 ( -2.067 0.140 -1.583) 2.607 1.707 ( -1.913 -1.095 1.344) 2.582 1.818 ( -0.983 -7.526 1.333) 7.706 1.874 ( 1.770 -7.207 1.227) 7.522 2.175 ( 0.026 -3.920 -1.763) 4.298 2.196 ( -0.778 -8.033 -2.130) 8.347 2.668 ( 2.176 4.052 1.211) 4.756 2.761 ( -1.443 6.115 0.564) 6.308 2.927 ( -2.472 5.783 2.494) 6.765 3.018 ( 1.253 6.689 -3.225) 7.530 4.104 ( 1.929 1.665 2.440) 3.528 4.300 ( 4.269 -1.663 -2.534) 5.236 4.495 ( 4.613 -14.138 4.061) 15.416 4.725 ( 7.431 -7.867 2.423) 11.090 5.168 ( 3.306 -6.303 0.695) 7.151 5.465 ( 7.319 1.442 0.461) 7.474 5.933 ( 4.311 -1.892 -2.885) 5.522 5.978 ( 1.879 6.508 -3.522) 7.635 6.131 ( -2.806 -2.571 -0.234) 3.813 6.220 ( 1.143 1.513 0.037) 1.897 6.319 ( 3.590 0.928 -0.521) 3.744 6.428 ( -1.576 -5.212 1.101) 5.555 6.460 ( -0.541 1.646 -0.238) 1.749 6.618 ( 3.464 -1.054 0.397) 3.642 6.793 ( -3.609 -2.145 -2.751) 5.020 6.920 ( 1.141 -3.879 -2.579) 4.795 7.534 ( 2.431 -2.729 1.576) 3.980 7.618 ( 0.087 -1.316 -0.269) 1.346 7.942 ( 0.265 0.012 1.847) 1.866 7.999 ( -2.727 0.139 0.472) 2.771 8.841 ( -0.476 0.004 1.252) 1.339 9.062 ( -0.679 -0.545 0.402) 0.959 9.972 ( -0.303 -0.406 -0.533) 0.735 10.058 ( -0.114 -0.263 -0.291) 0.409======================= Grid point 198 (72/189) =======================q-point: (-0.23 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( -0.976 6.537 3.343) 7.407 1.083 ( -0.462 4.516 2.790) 5.328 1.118 ( 2.734 2.656 -0.476) 3.841 1.187 ( 1.628 4.545 -0.136) 4.829 1.235 ( -0.609 2.800 0.039) 2.866 1.274 ( -1.518 5.122 2.593) 5.938 1.407 ( 1.133 6.314 -3.320) 7.223 1.461 ( 1.502 4.144 -3.435) 5.588 1.605 ( 0.691 -1.064 2.459) 2.767 1.696 ( -1.104 2.782 3.071) 4.288 1.931 ( -0.071 -4.424 -0.455) 4.448 2.016 ( 2.693 -2.449 -0.739) 3.714 2.187 ( -1.640 0.470 -1.546) 2.303 2.312 ( -0.103 -2.099 0.121) 2.105 2.606 ( -0.355 5.346 0.286) 5.365 2.637 ( 0.513 2.443 0.898) 2.653 2.786 ( -2.473 7.990 0.223) 8.367 2.864 ( 1.190 8.033 -2.279) 8.435 4.155 ( 0.529 -5.628 1.341) 5.810 4.346 ( 2.687 -2.469 -2.091) 4.206 4.811 ( 7.794 -6.953 3.299) 10.954 4.904 ( 3.004 -12.114 5.737) 13.736 5.320 ( 4.207 -4.944 -1.672) 6.704 5.454 ( 5.211 2.264 2.648) 6.268 5.828 ( 2.544 8.867 -0.404) 9.233 5.981 ( 3.826 -1.245 -6.605) 7.734 6.131 ( 0.486 1.148 1.507) 1.956 6.158 ( -3.402 3.734 -2.375) 5.582 6.302 ( 3.631 1.749 -1.479) 4.294 6.467 ( -0.163 -1.656 -1.639) 2.336 6.534 ( -1.808 -7.002 -0.708) 7.266 6.695 ( 1.690 -4.114 0.388) 4.465 6.760 ( -1.994 3.554 -0.563) 4.114 6.974 ( 1.696 -2.428 -5.567) 6.306 7.590 ( 1.586 -0.673 3.168) 3.606 7.666 ( -0.915 -3.678 1.367) 4.029 7.953 ( -0.468 -1.016 1.195) 1.637 7.986 ( -1.119 -0.009 0.168) 1.132 8.859 ( 0.260 -1.219 2.978) 3.228 9.080 ( -0.451 -1.474 0.632) 1.666 9.975 ( -0.555 -0.384 -1.368) 1.525 10.063 ( -0.296 -0.472 -0.357) 0.662======================= Grid point 199 (73/189) =======================q-point: (-0.15 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.852 ( 0.010 10.529 8.456) 13.504 0.954 ( 0.602 10.430 1.082) 10.503 1.051 ( 1.696 5.994 -0.402) 6.242 1.112 ( -0.568 3.561 -0.395) 3.628 1.178 ( -1.334 4.127 0.020) 4.337 1.211 ( -0.872 1.035 3.865) 4.095 1.291 ( 0.459 4.718 -4.227) 6.352 1.399 ( 0.861 1.868 -4.499) 4.947 1.596 ( -0.766 7.612 2.414) 8.023 1.632 ( 1.401 0.343 5.195) 5.391 1.859 ( -0.037 15.301 -2.910) 15.575 1.982 ( 1.002 -0.202 0.031) 1.023 2.185 ( -0.960 13.620 3.051) 13.990 2.235 ( -0.450 -3.622 1.258) 3.860 2.522 ( 1.200 9.998 -3.022) 10.514 2.599 ( -0.693 3.259 -6.791) 7.564 2.641 ( -0.088 -1.441 0.587) 1.558 2.778 ( -0.318 1.503 1.767) 2.341 4.294 ( -0.075 -6.764 0.008) 6.765 4.441 ( 0.865 -7.354 -0.857) 7.454 4.888 ( 1.916 -1.301 2.495) 3.404 5.127 ( 2.313 2.004 9.024) 9.528 5.268 ( 1.046 7.343 -4.716) 8.790 5.530 ( 5.634 -2.838 1.571) 6.501 5.644 ( -3.249 9.431 1.976) 10.169 5.984 ( 3.173 0.532 -9.202) 9.748 6.073 ( 0.021 1.045 -0.100) 1.050 6.170 ( 2.608 -2.597 1.874) 4.130 6.280 ( 2.421 1.653 -0.818) 3.043 6.460 ( -2.500 -0.482 -7.598) 8.013 6.657 ( -0.208 2.504 -0.181) 2.519 6.695 ( 1.325 -6.511 0.289) 6.651 6.741 ( -5.693 -1.852 -2.251) 6.396 7.017 ( 3.749 -2.751 -6.927) 8.343 7.612 ( 0.626 -0.198 4.070) 4.123 7.731 ( -2.010 -3.332 0.870) 3.987 7.979 ( -1.829 -1.186 0.563) 2.251 8.018 ( 1.497 -3.927 3.662) 5.575 8.906 ( 0.965 -2.118 3.912) 4.552 9.116 ( -0.014 -2.200 0.651) 2.294 9.975 ( -0.482 -0.557 -1.703) 1.856 10.074 ( -0.502 -1.157 -0.234) 1.282======================= Grid point 200 (74/189) =======================q-point: (-0.08 0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( 2.171 11.033 8.408) 14.041 0.740 ( -0.053 10.059 10.326) 14.416 0.916 ( -0.751 7.435 -4.083) 8.516 1.003 ( -1.424 9.401 -0.517) 9.523 1.025 ( 1.449 11.685 0.172) 11.776 1.204 ( -0.666 1.583 -0.241) 1.734 1.242 ( -0.975 -1.355 -0.346) 1.705 1.338 ( 1.018 6.027 -2.648) 6.661 1.441 ( -1.704 5.751 0.291) 6.005 1.548 ( 0.593 12.608 0.574) 12.635 1.649 ( 0.827 1.161 6.736) 6.886 1.873 ( 0.350 15.121 2.492) 15.329 1.977 ( 0.943 5.403 1.306) 5.638 2.186 ( -1.038 11.318 -8.843) 14.401 2.344 ( 2.118 0.114 0.611) 2.207 2.568 ( -1.181 0.233 -5.899) 6.020 2.690 ( 1.028 -2.806 0.261) 3.000 2.767 ( -1.235 0.179 0.647) 1.405 4.362 ( 1.045 1.459 0.164) 1.802 4.575 ( 1.568 -1.688 -1.322) 2.656 4.737 ( -3.329 26.545 4.400) 27.113 4.983 ( -1.065 -0.103 2.553) 2.768 5.077 ( 7.654 16.579 -3.063) 18.515 5.401 ( -3.659 9.077 2.484) 10.097 5.655 ( -0.033 -4.118 0.064) 4.118 5.921 ( -0.264 4.298 -17.672) 18.189 6.119 ( 0.004 -4.637 0.181) 4.640 6.256 ( 2.827 -3.700 1.806) 4.995 6.270 ( 0.087 -0.434 -0.213) 0.492 6.428 ( -4.026 1.698 -11.544) 12.343 6.599 ( -0.538 -2.196 -1.354) 2.635 6.742 ( -1.866 -1.317 1.415) 2.686 6.854 ( 0.805 -7.247 -0.840) 7.340 7.065 ( 1.696 -2.669 -8.305) 8.887 7.632 ( 0.237 -0.362 4.986) 5.005 7.796 ( -0.551 -4.426 1.490) 4.703 7.992 ( -1.126 -0.779 1.263) 1.863 8.158 ( 1.137 -7.874 5.953) 9.936 8.966 ( 0.980 -2.197 3.997) 4.665 9.164 ( 0.290 -2.376 0.528) 2.451 9.989 ( 0.305 -1.704 -0.781) 1.899 10.103 ( -0.858 -2.315 0.303) 2.487======================= Grid point 203 (75/189) =======================q-point: ( 0.15 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.423 ( 8.566 0.000 4.690) 9.766 0.586 ( 10.826 0.000 8.092) 13.516 0.621 ( 9.330 0.000 -3.022) 9.808 0.829 ( 8.782 0.000 -6.395) 10.864 1.090 ( 5.752 0.000 19.497) 20.328 1.145 ( -2.259 -0.000 -0.007) 2.259 1.200 ( -5.145 -0.000 -9.912) 11.168 1.250 ( 0.387 0.000 -0.888) 0.969 1.312 ( -4.275 -0.000 3.864) 5.762 1.352 ( -2.926 -0.000 0.671) 3.002 1.430 ( -0.509 -0.000 -0.691) 0.859 1.556 ( 0.745 0.000 0.218) 0.776 1.723 ( -1.301 -0.000 4.300) 4.492 1.963 ( -2.927 -0.000 -8.680) 9.160 2.479 ( 0.720 0.000 -4.775) 4.829 2.513 ( 1.965 0.000 -0.407) 2.007 2.809 ( 0.440 0.000 -0.400) 0.595 2.898 ( 4.511 0.000 1.905) 4.896 3.275 ( 1.378 0.000 1.336) 1.919 3.633 ( 11.087 0.000 -2.396) 11.343 4.292 ( 10.395 0.000 1.023) 10.445 4.781 ( 8.693 0.000 0.042) 8.693 5.072 ( 3.468 0.000 1.039) 3.620 5.404 ( 7.287 0.000 12.301) 14.297 5.782 ( 3.495 0.000 -11.405) 11.928 5.889 ( 9.134 0.000 -8.187) 12.266 6.159 ( -4.655 -0.000 -0.559) 4.688 6.277 ( -2.104 -0.000 0.130) 2.108 6.292 ( -1.980 -0.000 0.481) 2.037 6.414 ( -0.634 -0.000 -0.141) 0.649 6.704 ( -2.312 -0.000 -3.063) 3.838 6.787 ( -4.330 -0.000 -2.415) 4.958 6.869 ( 0.643 0.000 0.291) 0.706 6.996 ( -1.166 -0.000 -0.254) 1.193 7.751 ( 1.234 0.000 2.247) 2.563 7.995 ( 0.789 0.000 0.658) 1.027 8.025 ( 0.082 0.000 1.141) 1.144 8.432 ( 0.096 0.000 0.163) 0.189 9.046 ( -0.809 -0.000 1.475) 1.682 9.230 ( 0.057 0.000 -0.151) 0.161 10.074 ( -1.914 -0.000 -2.128) 2.862 10.167 ( -1.413 -0.000 2.277) 2.680======================= Grid point 204 (76/189) =======================q-point: ( 0.23 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.614 ( 5.075 -8.351 5.877) 11.403 0.761 ( 6.161 -6.223 -5.199) 10.184 0.791 ( 8.195 -12.686 2.705) 15.343 0.912 ( 5.182 -5.162 -3.324) 8.034 1.042 ( 6.355 0.089 3.224) 7.126 1.102 ( -3.071 3.013 -1.125) 4.447 1.165 ( -2.595 -2.044 0.557) 3.350 1.286 ( -2.745 0.487 2.991) 4.089 1.345 ( -2.647 -2.224 1.969) 3.979 1.447 ( -0.158 -3.009 -2.902) 4.184 1.539 ( 0.706 -18.654 2.410) 18.822 1.698 ( -1.716 -9.263 1.922) 9.615 1.763 ( 0.233 -5.343 2.727) 6.004 1.938 ( -1.497 -2.220 -6.802) 7.310 2.413 ( -0.188 3.123 -6.516) 7.228 2.508 ( 1.797 1.423 2.989) 3.766 2.745 ( 1.837 2.904 -0.430) 3.463 2.882 ( 5.008 3.091 1.272) 6.021 3.888 ( -7.308 -45.130 -6.804) 46.222 4.090 ( 3.707 -33.635 2.315) 33.918 4.437 ( 8.434 -7.031 0.107) 10.981 4.836 ( 8.792 0.387 0.116) 8.801 5.064 ( 3.446 3.277 1.425) 4.964 5.444 ( 4.081 1.822 8.548) 9.646 5.675 ( -0.277 6.093 -11.471) 12.992 5.854 ( 6.221 5.181 -2.122) 8.369 6.145 ( -2.295 1.393 -0.656) 2.764 6.252 ( -2.601 1.331 -0.595) 2.981 6.282 ( -0.822 0.053 -0.986) 1.285 6.336 ( -2.557 5.431 0.332) 6.012 6.685 ( 0.351 1.695 -1.664) 2.401 6.769 ( -3.550 -1.284 -0.894) 3.879 6.860 ( 0.818 1.936 1.460) 2.559 6.964 ( -0.324 2.682 0.348) 2.724 7.753 ( 0.742 1.262 3.041) 3.375 7.944 ( 0.270 5.066 -1.923) 5.426 8.015 ( -0.575 1.182 1.431) 1.943 8.374 ( 0.802 5.840 0.439) 5.911 9.033 ( -1.216 0.994 0.252) 1.591 9.213 ( -0.010 1.516 -0.275) 1.541 10.034 ( -0.510 2.246 -1.166) 2.581 10.147 ( -0.324 1.924 1.512) 2.468======================= Grid point 205 (77/189) =======================q-point: ( 0.31 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( 2.153 -7.972 4.168) 9.250 0.860 ( 3.110 -4.812 -5.944) 8.256 0.988 ( 2.450 -5.288 -3.238) 6.667 1.051 ( 3.640 -6.248 0.535) 7.251 1.072 ( -0.418 -0.936 3.879) 4.012 1.174 ( 3.208 -4.863 0.647) 5.862 1.198 ( -3.277 -2.060 3.256) 5.058 1.285 ( -1.887 -1.878 -2.035) 3.351 1.473 ( 0.774 -10.575 4.427) 11.491 1.534 ( -0.602 -7.437 -3.624) 8.295 1.760 ( -3.542 -3.752 -3.457) 6.211 1.871 ( -4.538 -3.677 -1.762) 6.100 1.947 ( 4.049 -18.390 4.402) 19.338 2.110 ( 2.688 -15.560 0.834) 15.813 2.347 ( -1.186 1.382 -6.408) 6.661 2.497 ( 1.035 1.787 2.996) 3.638 2.714 ( 1.554 1.688 -0.686) 2.394 2.844 ( 3.198 3.373 1.036) 4.763 4.408 ( 1.624 -2.907 -2.957) 4.453 4.540 ( -3.460 -4.224 -4.441) 7.039 4.703 ( -4.548 -22.685 3.857) 23.456 4.905 ( -0.987 -6.619 1.151) 6.790 5.002 ( 1.185 -0.262 -2.133) 2.454 5.453 ( -1.290 2.674 4.374) 5.287 5.554 ( -4.968 2.960 -0.453) 5.801 5.765 ( -2.402 1.806 -4.175) 5.144 6.109 ( 1.900 2.583 -0.137) 3.209 6.152 ( -1.412 4.724 -0.418) 4.948 6.204 ( -4.331 0.494 -3.785) 5.773 6.329 ( 0.864 0.881 3.801) 3.996 6.646 ( 2.030 0.826 -0.813) 2.338 6.749 ( -2.897 4.236 4.795) 7.023 6.821 ( -1.598 0.729 -3.132) 3.591 6.911 ( 2.402 3.123 1.317) 4.154 7.731 ( 0.129 2.171 3.281) 3.936 7.819 ( -0.219 6.420 -3.067) 7.119 7.994 ( -0.678 0.971 1.558) 1.956 8.243 ( 1.227 7.895 -0.355) 7.997 9.001 ( -1.265 1.389 -1.297) 2.283 9.178 ( 0.230 1.917 -0.352) 1.962 9.993 ( 0.908 1.757 -0.102) 1.981 10.111 ( 0.510 2.003 0.771) 2.206======================= Grid point 206 (78/189) =======================q-point: ( 0.38 0.15 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.951 ( 0.166 -5.314 -1.000) 5.410 0.962 ( -1.376 -6.761 -0.441) 6.914 1.103 ( 2.022 -4.284 -2.337) 5.283 1.134 ( 0.812 -5.210 -2.764) 5.953 1.141 ( 1.481 -3.845 4.291) 5.949 1.216 ( -0.323 -0.291 0.830) 0.937 1.241 ( -1.270 -2.784 3.616) 4.738 1.337 ( -0.314 -3.837 -2.026) 4.351 1.654 ( 0.062 -3.821 -2.181) 4.400 1.667 ( -0.556 -6.517 1.585) 6.730 1.805 ( -3.084 -4.897 -1.983) 6.118 1.911 ( -2.609 -3.096 0.457) 4.075 2.228 ( 0.464 -2.331 0.309) 2.397 2.351 ( 2.219 -5.978 -2.151) 6.730 2.439 ( -0.582 -15.327 1.816) 15.446 2.474 ( -0.280 -1.585 0.885) 1.837 2.684 ( 1.483 2.009 -0.814) 2.627 2.823 ( 1.386 -0.690 0.617) 1.667 4.266 ( -0.451 11.257 -0.101) 11.267 4.397 ( -2.657 11.795 -1.800) 12.224 4.728 ( -8.629 11.725 -0.710) 14.576 4.956 ( -10.386 -3.038 1.403) 10.912 5.199 ( -4.450 -5.893 -6.834) 10.061 5.278 ( -7.502 6.978 2.288) 10.498 5.515 ( -9.834 -1.694 5.175) 11.241 5.784 ( -1.981 -4.242 -3.574) 5.891 6.058 ( -4.397 0.148 -1.117) 4.539 6.160 ( 4.479 -2.000 -0.231) 4.911 6.223 ( -0.277 -4.770 -1.432) 4.988 6.299 ( 1.087 3.191 6.458) 7.285 6.627 ( -2.575 4.645 0.378) 5.325 6.678 ( -1.083 -0.425 -1.869) 2.202 6.800 ( -1.045 -0.304 2.703) 2.914 6.886 ( 3.477 1.485 -0.213) 3.787 7.682 ( -1.119 2.946 -4.169) 5.226 7.718 ( -0.302 3.308 4.282) 5.420 7.981 ( -0.138 0.642 1.352) 1.503 8.103 ( 1.178 6.734 -1.086) 6.922 8.964 ( -0.845 1.212 -2.371) 2.793 9.145 ( 0.562 1.622 -0.403) 1.764 9.974 ( 1.192 1.048 0.742) 1.752 10.083 ( 0.612 1.380 0.432) 1.570======================= Grid point 207 (79/189) =======================q-point: ( 0.46 0.15 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( -1.739 -3.539 -0.552) 3.982 1.062 ( -3.242 -4.959 -0.203) 5.928 1.137 ( -0.283 -0.954 -0.736) 1.238 1.198 ( -0.355 -0.710 -1.381) 1.593 1.251 ( 0.683 -5.921 -0.752) 6.007 1.285 ( 1.377 -5.510 1.318) 5.831 1.323 ( 0.689 -4.948 3.035) 5.845 1.405 ( -1.156 -4.639 -1.662) 5.061 1.654 ( 0.242 0.870 -3.442) 3.558 1.747 ( -0.074 -1.981 0.080) 1.984 1.852 ( -3.749 -0.997 2.842) 4.809 1.947 ( -1.398 -1.007 -1.672) 2.400 2.191 ( 0.060 3.752 0.513) 3.788 2.299 ( 1.069 7.424 -0.229) 7.504 2.643 ( -1.984 -8.801 2.700) 9.417 2.660 ( 0.626 -0.800 1.089) 1.490 2.704 ( -0.059 -10.836 -1.307) 10.915 2.914 ( 2.152 -7.306 -0.615) 7.641 4.065 ( -3.111 7.624 1.871) 8.444 4.171 ( -5.972 7.094 -1.558) 9.403 4.442 ( -12.972 9.656 -0.934) 16.199 4.755 ( -12.279 11.531 -2.994) 17.109 5.130 ( -5.494 3.756 -3.465) 7.504 5.223 ( -7.477 -0.954 1.825) 7.755 5.561 ( -7.944 -5.867 2.926) 10.300 5.817 ( -0.550 -0.654 -1.011) 1.324 6.022 ( -6.836 -0.836 -1.497) 7.048 6.260 ( 4.835 -0.543 1.729) 5.163 6.273 ( 1.126 -1.999 1.937) 3.003 6.318 ( -0.429 -3.802 2.686) 4.675 6.555 ( -0.484 1.592 0.548) 1.752 6.638 ( -1.847 2.467 -1.534) 3.442 6.813 ( 0.586 0.714 0.296) 0.970 6.897 ( 1.088 -0.721 0.569) 1.424 7.620 ( -1.075 1.509 -3.137) 3.643 7.667 ( -0.944 3.262 0.791) 3.487 7.965 ( 1.045 2.396 2.172) 3.399 8.017 ( 0.011 1.639 -0.176) 1.648 8.931 ( -0.304 1.080 -2.606) 2.838 9.119 ( 0.690 1.355 -0.405) 1.574 9.967 ( 0.831 0.629 1.039) 1.472 10.067 ( 0.420 0.795 0.289) 0.944======================= Grid point 208 (80/189) =======================q-point: ( 0.54 0.15 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.074 ( -1.586 -2.794 -0.348) 3.232 1.115 ( -0.116 -1.463 -0.713) 1.631 1.153 ( -2.508 -2.216 -0.706) 3.420 1.205 ( 0.239 -0.394 -0.785) 0.911 1.355 ( 0.463 -5.036 -0.987) 5.152 1.388 ( -0.676 -4.820 1.028) 4.974 1.432 ( -0.052 -4.513 2.102) 4.979 1.490 ( -1.847 -5.439 -1.452) 5.925 1.637 ( 1.732 0.643 -1.899) 2.649 1.750 ( 0.631 1.805 -0.338) 1.941 1.824 ( -1.319 3.139 1.880) 3.889 1.922 ( 1.243 2.694 -3.200) 4.364 2.090 ( -1.273 5.510 4.234) 7.064 2.173 ( 0.153 6.117 -0.546) 6.143 2.667 ( -0.633 -2.394 -2.495) 3.515 2.796 ( -2.567 -5.227 4.966) 7.653 2.868 ( 2.505 -6.302 0.012) 6.782 3.060 ( 0.597 -6.189 -1.688) 6.442 4.009 ( -3.161 -3.973 1.745) 5.368 4.078 ( -5.446 -1.098 -0.849) 5.620 4.254 ( -10.157 3.064 -0.756) 10.636 4.501 ( -8.522 7.307 -2.731) 11.553 5.015 ( -4.483 3.199 0.363) 5.520 5.246 ( -6.756 -5.107 -2.019) 8.707 5.639 ( -4.969 -5.049 2.577) 7.538 5.830 ( -2.411 -2.436 1.160) 3.618 6.036 ( -4.178 -4.392 -0.865) 6.123 6.245 ( 3.046 2.702 1.556) 4.359 6.326 ( -0.915 -2.166 -0.285) 2.369 6.413 ( 1.832 -4.138 1.246) 4.694 6.538 ( -1.351 2.021 0.442) 2.471 6.586 ( 4.868 1.763 -0.838) 5.245 6.785 ( -1.303 1.813 1.480) 2.679 6.886 ( -0.171 2.469 -0.768) 2.591 7.570 ( -0.661 3.289 -4.006) 5.225 7.607 ( -0.373 1.056 -1.371) 1.770 7.935 ( 0.850 1.445 2.643) 3.130 8.013 ( -0.978 -0.203 1.943) 2.185 8.902 ( 0.110 1.253 -1.932) 2.305 9.097 ( 0.512 1.276 -0.304) 1.408 9.964 ( 0.299 0.313 0.817) 0.925 10.058 ( 0.227 0.391 0.163) 0.480======================= Grid point 209 (81/189) =======================q-point: ( 0.62 0.15 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.111 ( 0.018 1.081 -0.750) 1.315 1.116 ( 0.306 -1.850 -0.091) 1.877 1.196 ( -0.050 -2.607 -0.352) 2.631 1.207 ( -0.117 -0.137 -0.629) 0.655 1.450 ( 0.443 -4.530 -0.430) 4.572 1.457 ( -1.383 -1.467 0.888) 2.203 1.500 ( -1.353 -4.736 0.373) 4.940 1.590 ( -0.107 -4.987 0.081) 4.989 1.611 ( -0.455 2.988 0.403) 3.049 1.688 ( 1.846 4.472 -0.351) 4.851 1.749 ( 0.423 3.872 0.564) 3.935 1.838 ( 0.948 5.010 -1.187) 5.235 2.051 ( -0.652 -0.330 1.418) 1.595 2.068 ( -0.539 3.407 -0.721) 3.524 2.710 ( 0.305 -2.215 -1.430) 2.654 2.860 ( -0.420 -1.439 1.339) 2.010 2.973 ( -0.170 -3.408 2.302) 4.116 3.130 ( 0.411 -1.517 -2.427) 2.892 4.120 ( -1.122 -5.518 -0.332) 5.640 4.178 ( -0.891 -8.727 2.686) 9.174 4.211 ( -2.252 -3.960 -0.210) 4.560 4.366 ( -5.223 1.660 0.915) 5.556 4.989 ( -2.707 -2.359 0.919) 3.706 5.328 ( -2.354 -6.887 -3.090) 7.907 5.734 ( 0.108 -6.039 0.985) 6.120 5.899 ( -5.690 -6.224 1.261) 8.526 6.120 ( -1.744 -5.463 -0.051) 5.735 6.199 ( 1.756 3.774 -0.172) 4.166 6.358 ( 1.797 -0.893 -0.572) 2.087 6.452 ( 2.431 3.938 -1.666) 4.918 6.518 ( 2.237 -3.847 0.523) 4.481 6.580 ( 2.480 2.620 0.588) 3.655 6.771 ( -2.254 -1.297 -1.056) 2.807 6.809 ( -0.854 3.932 0.347) 4.039 7.500 ( 0.924 1.739 -4.548) 4.956 7.598 ( 0.152 -0.064 -0.518) 0.544 7.934 ( 0.041 -0.041 2.644) 2.645 8.011 ( -1.839 0.387 2.466) 3.100 8.874 ( 0.379 1.350 -0.448) 1.473 9.075 ( 0.157 1.060 -0.062) 1.074 9.963 ( -0.147 0.015 0.241) 0.283 10.055 ( 0.085 0.124 -0.010) 0.151======================= Grid point 210 (82/189) =======================q-point: (-0.31 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.084 ( -0.202 1.266 0.324) 1.322 1.147 ( 1.230 -0.863 -0.511) 1.587 1.193 ( 0.018 1.030 0.411) 1.109 1.243 ( 0.761 -1.417 -0.306) 1.637 1.431 ( -0.256 3.725 0.297) 3.746 1.496 ( -1.256 5.756 2.256) 6.309 1.526 ( 0.316 -3.253 -0.094) 3.270 1.613 ( 1.677 0.697 1.258) 2.209 1.628 ( 0.900 3.248 -2.270) 4.063 1.657 ( -0.965 -7.569 1.477) 7.772 1.711 ( 0.129 2.331 -1.142) 2.599 1.788 ( 0.408 -1.997 2.736) 3.412 2.054 ( -1.724 -3.928 -2.830) 5.139 2.092 ( 0.040 -3.432 -1.009) 3.577 2.727 ( 1.181 0.699 -0.450) 1.444 2.848 ( -0.011 2.944 0.242) 2.954 2.994 ( -2.434 1.548 2.343) 3.717 3.112 ( 1.253 3.025 -2.612) 4.188 4.175 ( -0.289 2.225 1.875) 2.924 4.260 ( 2.135 -4.306 -0.370) 4.820 4.319 ( 3.060 -6.883 5.298) 9.209 4.535 ( 0.707 -14.838 3.167) 15.189 5.064 ( -0.409 -5.658 -0.025) 5.673 5.451 ( 2.458 -5.792 -1.565) 6.484 5.857 ( 2.436 -5.206 -2.681) 6.343 5.997 ( -5.764 -6.995 -1.056) 9.125 6.112 ( 0.372 5.373 -1.829) 5.688 6.208 ( -0.388 -3.466 1.317) 3.728 6.365 ( 3.713 1.645 -1.045) 4.193 6.395 ( 2.341 1.652 -0.017) 2.865 6.521 ( -0.221 3.996 0.141) 4.005 6.618 ( 4.240 -2.394 -1.521) 5.101 6.711 ( -5.526 -0.482 -2.620) 6.135 6.842 ( 0.638 -3.830 -0.401) 3.904 7.502 ( 2.428 -1.923 -1.157) 3.306 7.604 ( 0.218 -0.452 0.015) 0.502 7.947 ( 0.158 -0.467 1.892) 1.955 7.992 ( -2.871 0.812 1.650) 3.410 8.856 ( 0.608 0.922 1.522) 1.881 9.060 ( -0.168 0.468 0.303) 0.582 9.963 ( -0.418 -0.184 -0.523) 0.695 10.054 ( 0.002 -0.057 -0.221) 0.229======================= Grid point 211 (83/189) =======================q-point: (-0.23 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( -0.275 0.791 0.971) 1.282 1.155 ( 1.228 0.646 -0.473) 1.466 1.168 ( 0.367 2.228 1.903) 2.953 1.257 ( 0.577 0.374 0.133) 0.701 1.322 ( -0.323 7.189 1.925) 7.449 1.383 ( -1.087 5.759 1.321) 6.007 1.520 ( -0.895 5.621 -3.756) 6.820 1.551 ( 1.974 3.858 -1.765) 4.680 1.603 ( 2.791 0.426 2.518) 3.783 1.698 ( -1.517 -1.908 1.846) 3.058 1.817 ( -0.776 -7.124 1.682) 7.361 1.907 ( 1.920 -7.903 2.587) 8.534 2.132 ( -2.854 -4.134 -4.608) 6.817 2.189 ( 0.842 -7.657 -2.663) 8.151 2.697 ( 1.351 3.134 1.519) 3.736 2.751 ( -0.738 6.887 0.543) 6.948 2.908 ( -3.089 5.889 1.472) 6.811 3.014 ( 1.711 6.933 -2.975) 7.735 4.129 ( -0.150 1.563 2.512) 2.962 4.322 ( 2.343 -1.527 -2.271) 3.603 4.594 ( 4.786 -15.563 10.807) 19.543 4.793 ( 2.326 -8.728 2.117) 9.277 5.193 ( 0.557 -7.902 0.087) 7.923 5.523 ( 2.912 0.380 0.246) 2.947 5.916 ( -0.220 -1.467 -7.605) 7.748 6.000 ( 2.019 4.874 -0.796) 5.335 6.083 ( -2.233 -3.862 -3.319) 5.560 6.224 ( -0.717 2.450 0.683) 2.643 6.359 ( 3.328 1.542 -0.656) 3.726 6.418 ( -0.321 -3.082 -0.585) 3.154 6.445 ( -1.962 1.010 0.752) 2.331 6.615 ( -2.295 -0.996 -4.643) 5.274 6.775 ( 1.872 -3.608 0.968) 4.178 6.911 ( 0.517 -3.141 -3.221) 4.529 7.576 ( 2.542 -3.215 2.587) 4.846 7.619 ( -0.167 -1.216 0.631) 1.380 7.951 ( -0.778 0.922 0.693) 1.392 7.973 ( -1.772 -0.667 0.517) 1.962 8.859 ( 1.002 -0.128 3.330) 3.479 9.060 ( -0.171 -0.508 0.644) 0.838 9.962 ( -0.549 -0.229 -1.316) 1.444 10.055 ( -0.056 -0.161 -0.399) 0.433======================= Grid point 212 (84/189) =======================q-point: (-0.15 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.029 ( -0.528 4.731 2.936) 5.593 1.104 ( 0.131 5.530 4.411) 7.075 1.139 ( 1.712 1.978 -0.693) 2.706 1.199 ( 0.213 5.125 0.206) 5.134 1.229 ( -0.109 3.254 -0.105) 3.258 1.273 ( -2.043 4.848 3.090) 6.102 1.385 ( -0.464 6.145 -5.025) 7.951 1.453 ( 1.140 4.859 -2.955) 5.800 1.644 ( 2.360 -0.989 3.500) 4.336 1.706 ( -0.894 2.173 3.813) 4.479 1.922 ( -0.862 -4.187 -0.666) 4.326 2.037 ( 2.629 0.922 -2.869) 3.999 2.150 ( -3.691 -3.607 0.608) 5.197 2.322 ( 1.872 -3.355 -1.124) 4.003 2.585 ( -2.271 6.954 -0.135) 7.317 2.662 ( 1.696 2.786 1.365) 3.535 2.760 ( -2.188 8.463 -0.354) 8.748 2.866 ( 1.491 7.515 -2.030) 7.926 4.162 ( -0.957 -4.939 1.444) 5.234 4.354 ( 0.858 -2.485 -2.032) 3.322 4.889 ( 1.539 -1.429 2.205) 3.045 4.980 ( 2.286 -16.530 11.891) 20.490 5.328 ( -0.985 -2.551 -1.707) 3.223 5.494 ( -0.182 0.319 1.102) 1.162 5.824 ( -1.385 7.758 -1.886) 8.103 5.986 ( 2.653 -0.255 -5.914) 6.487 6.111 ( -1.001 -2.943 -3.708) 4.839 6.140 ( -0.030 4.781 0.661) 4.826 6.317 ( 0.590 2.343 -1.467) 2.826 6.445 ( -1.776 0.656 -2.391) 3.050 6.519 ( -0.409 -7.385 -0.596) 7.420 6.633 ( -5.391 -4.209 -2.252) 7.200 6.796 ( 2.984 4.305 1.588) 5.473 6.955 ( 1.313 -3.091 -6.067) 6.934 7.622 ( 0.171 -0.451 3.338) 3.373 7.674 ( 0.602 -2.884 2.012) 3.568 7.938 ( -2.365 -1.127 0.615) 2.691 7.991 ( 1.038 -1.150 0.242) 1.568 8.892 ( 1.425 -1.305 4.277) 4.694 9.082 ( 0.121 -1.522 0.754) 1.702 9.958 ( -0.466 -0.302 -1.879) 1.960 10.058 ( -0.093 -0.376 -0.439) 0.586======================= Grid point 213 (85/189) =======================q-point: (-0.08 0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.909 ( 0.669 8.101 8.136) 11.501 0.967 ( 0.097 10.105 2.400) 10.386 1.057 ( -0.597 8.311 -0.810) 8.372 1.103 ( -0.199 3.462 -0.467) 3.499 1.171 ( 0.182 3.454 0.234) 3.467 1.222 ( -1.134 0.605 3.264) 3.508 1.259 ( -0.723 4.900 -4.940) 6.995 1.383 ( 0.667 2.148 -3.505) 4.165 1.608 ( -0.360 8.118 3.481) 8.840 1.674 ( 0.807 1.099 3.335) 3.603 1.853 ( 1.495 13.031 -1.554) 13.208 1.983 ( -0.155 -1.074 -1.585) 1.921 2.170 ( -3.181 8.892 3.049) 9.923 2.266 ( 2.531 2.834 2.555) 4.579 2.512 ( 0.199 8.834 -3.343) 9.447 2.548 ( -0.789 4.046 -6.825) 7.973 2.648 ( 0.511 -1.163 0.699) 1.449 2.783 ( -0.163 1.888 0.995) 2.140 4.294 ( -0.014 -7.566 -0.004) 7.566 4.444 ( 0.553 -7.171 -0.775) 7.234 4.912 ( -0.917 -0.870 2.939) 3.199 5.172 ( -3.350 11.906 2.859) 12.694 5.264 ( 1.092 -3.168 4.056) 5.261 5.565 ( -0.126 -4.106 -1.061) 4.242 5.616 ( -4.349 11.624 2.375) 12.636 5.952 ( 1.680 2.736 -9.738) 10.253 6.078 ( 0.542 1.028 0.301) 1.200 6.199 ( 0.806 -5.073 0.907) 5.217 6.271 ( -3.525 1.652 -0.826) 3.980 6.373 ( -3.234 1.248 -7.761) 8.500 6.639 ( -2.408 -0.543 0.232) 2.480 6.680 ( -1.799 1.154 -1.577) 2.656 6.724 ( 2.112 -5.715 1.432) 6.259 6.997 ( 0.753 -2.353 -8.199) 8.563 7.642 ( -0.173 -0.473 4.853) 4.879 7.724 ( 0.089 -2.679 0.177) 2.686 7.968 ( -1.458 -1.675 1.660) 2.773 8.053 ( 1.759 -5.007 1.875) 5.629 8.945 ( 1.320 -1.939 4.140) 4.758 9.122 ( 0.356 -2.207 0.620) 2.320 9.961 ( 0.011 -0.874 -1.814) 2.014 10.069 ( -0.087 -1.071 -0.238) 1.101======================= Grid point 217 (86/189) =======================q-point: ( 0.23 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.538 ( 8.114 0.000 2.905) 8.618 0.715 ( 10.471 0.000 -2.207) 10.701 0.744 ( 10.099 0.000 5.474) 11.487 0.875 ( 5.966 0.000 -9.782) 11.458 1.084 ( 0.076 0.000 -10.063) 10.063 1.116 ( -3.037 -0.000 -0.000) 3.037 1.237 ( -0.235 -0.000 10.846) 10.848 1.245 ( -0.513 -0.000 -0.998) 1.123 1.295 ( -3.744 -0.000 7.430) 8.320 1.322 ( -3.257 -0.000 0.950) 3.393 1.418 ( -0.523 -0.000 -3.257) 3.299 1.567 ( 0.933 0.000 0.146) 0.944 1.744 ( 0.136 0.000 0.787) 0.799 1.898 ( 0.275 0.000 -0.213) 0.348 2.430 ( -2.068 -0.000 -6.721) 7.032 2.551 ( 1.347 0.000 3.431) 3.686 2.817 ( 1.583 0.000 -0.689) 1.726 2.961 ( 4.743 0.000 1.623) 5.013 3.304 ( 2.150 0.000 1.529) 2.638 3.752 ( 13.027 0.000 -2.650) 13.294 4.425 ( 12.109 0.000 1.282) 12.177 4.893 ( 11.758 0.000 -0.178) 11.759 5.124 ( 4.559 0.000 0.920) 4.651 5.494 ( -1.336 -0.000 -3.907) 4.129 5.748 ( 5.452 0.000 -1.957) 5.792 5.973 ( 11.446 0.000 -2.677) 11.755 6.107 ( -4.307 -0.000 -0.148) 4.309 6.237 ( -4.327 -0.000 0.111) 4.329 6.278 ( -1.753 -0.000 0.188) 1.763 6.397 ( -2.312 -0.000 -0.172) 2.319 6.655 ( -1.596 -0.000 -3.207) 3.582 6.771 ( 0.442 0.000 1.790) 1.844 6.892 ( 0.890 0.000 2.605) 2.753 6.992 ( 0.253 0.000 0.728) 0.770 7.777 ( 0.564 0.000 2.991) 3.044 7.985 ( -1.083 -0.000 -3.656) 3.813 8.028 ( -0.834 -0.000 1.004) 1.306 8.436 ( 0.366 0.000 -0.194) 0.415 9.035 ( -1.765 -0.000 -0.541) 1.846 9.227 ( -0.264 -0.000 -0.501) 0.566 10.048 ( -0.845 -0.000 -1.175) 1.447 10.169 ( -0.604 -0.000 1.901) 1.995======================= Grid point 218 (87/189) =======================q-point: ( 0.31 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.707 ( 6.201 -7.351 3.862) 10.364 0.793 ( 5.691 -2.977 -7.843) 10.137 0.881 ( 4.112 -4.674 -3.469) 7.126 0.921 ( 6.494 -8.278 -3.384) 11.052 1.089 ( 1.471 -1.387 2.434) 3.164 1.118 ( 1.725 -2.707 1.111) 3.396 1.149 ( -0.984 1.514 2.696) 3.245 1.256 ( -4.234 0.447 0.369) 4.274 1.343 ( -1.939 -4.112 4.615) 6.478 1.414 ( -1.132 -3.032 -3.882) 5.055 1.527 ( -3.522 -15.018 -1.385) 15.488 1.695 ( -0.677 -10.709 1.261) 10.804 1.758 ( 0.267 -3.251 -7.503) 8.182 1.966 ( 5.790 -4.315 9.992) 12.329 2.359 ( -2.269 2.614 -6.909) 7.727 2.545 ( 0.466 1.563 4.049) 4.365 2.767 ( 2.839 3.329 -0.913) 4.469 2.941 ( 4.398 3.623 0.727) 5.745 3.797 ( -4.430 -38.879 -2.213) 39.193 4.148 ( 4.863 -28.369 0.314) 28.785 4.537 ( 8.861 -2.724 0.991) 9.323 4.945 ( 11.031 2.186 -0.441) 11.254 5.112 ( 3.609 4.169 1.469) 5.706 5.450 ( -2.361 -0.813 -8.484) 8.844 5.653 ( 0.715 10.029 4.128) 10.869 5.891 ( 1.411 9.760 -0.803) 9.894 6.145 ( 3.450 -1.235 -0.534) 3.703 6.216 ( -2.768 3.666 -1.110) 4.726 6.272 ( -1.791 3.069 1.395) 3.818 6.317 ( -1.294 0.086 1.767) 2.191 6.658 ( -1.945 -0.716 -3.587) 4.143 6.767 ( 0.458 0.964 3.334) 3.500 6.880 ( 0.330 2.739 2.018) 3.418 6.977 ( 1.621 2.091 1.622) 3.103 7.776 ( 0.335 1.273 1.828) 2.252 7.915 ( -1.375 4.634 -4.542) 6.633 8.014 ( -1.175 1.076 1.401) 2.122 8.381 ( 0.690 5.468 -0.805) 5.570 9.011 ( -1.844 0.979 -1.629) 2.648 9.209 ( -0.191 1.340 -0.626) 1.491 10.028 ( 0.352 1.355 -0.145) 1.408 10.154 ( 0.043 1.711 1.405) 2.214======================= Grid point 219 (88/189) =======================q-point: ( 0.38 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.848 ( 3.895 -5.407 -7.029) 9.685 0.860 ( 2.748 -4.234 1.827) 5.368 0.988 ( 4.149 -5.725 -5.657) 9.055 1.082 ( 2.393 -3.091 0.139) 3.911 1.118 ( 0.947 -1.102 5.160) 5.361 1.180 ( -3.219 -3.991 4.136) 6.588 1.210 ( 1.352 -1.752 1.242) 2.538 1.251 ( -1.685 -3.335 -1.853) 4.170 1.501 ( -0.206 -8.161 -3.154) 8.752 1.516 ( 0.512 -10.883 4.288) 11.708 1.678 ( -4.472 -5.506 -6.226) 9.438 1.821 ( -3.426 -5.262 -0.771) 6.326 2.001 ( 3.385 -18.255 -0.450) 18.571 2.177 ( 4.095 -10.629 7.875) 13.848 2.288 ( -2.152 0.886 -6.957) 7.336 2.528 ( 0.556 2.025 3.861) 4.396 2.729 ( 1.982 2.026 -0.978) 2.998 2.879 ( 2.555 4.559 0.043) 5.226 4.386 ( -3.008 -15.681 -2.175) 16.114 4.497 ( 0.552 2.461 -2.049) 3.250 4.673 ( -3.800 -15.219 2.290) 15.853 4.937 ( 3.141 3.587 2.573) 5.418 5.009 ( 2.456 3.385 -1.471) 4.434 5.423 ( -4.043 4.231 -5.226) 7.846 5.512 ( -5.773 5.807 7.093) 10.834 5.697 ( -5.562 2.568 -2.722) 6.704 6.095 ( -2.360 5.683 -1.795) 6.410 6.156 ( -1.609 1.646 -0.205) 2.311 6.186 ( 6.447 -0.389 -0.396) 6.471 6.373 ( 1.745 0.448 5.761) 6.036 6.616 ( -3.813 1.284 -4.625) 6.131 6.766 ( -0.663 2.059 6.736) 7.075 6.800 ( -0.999 3.778 -0.658) 3.963 6.951 ( 3.141 2.498 1.192) 4.186 7.725 ( -1.272 3.430 -5.627) 6.711 7.810 ( -0.085 4.708 3.572) 5.910 7.992 ( -0.867 0.696 0.478) 1.210 8.250 ( 1.088 7.814 -1.392) 8.011 8.974 ( -1.232 1.215 -2.302) 2.880 9.177 ( 0.139 1.650 -0.674) 1.788 10.007 ( 1.031 1.365 0.827) 1.900 10.122 ( 0.514 1.997 0.860) 2.234======================= Grid point 220 (89/189) =======================q-point: ( 0.46 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( 1.516 -4.388 -3.220) 5.650 0.955 ( -0.711 -4.353 0.939) 4.509 1.101 ( 1.647 -3.808 -3.666) 5.536 1.131 ( 1.194 -4.070 -2.601) 4.976 1.170 ( 0.028 -2.188 1.334) 2.563 1.232 ( 1.394 -2.145 2.145) 3.338 1.251 ( -1.156 -3.419 4.409) 5.698 1.320 ( -0.889 -3.815 -1.077) 4.063 1.639 ( -0.315 -1.999 -3.257) 3.834 1.659 ( -0.291 -7.028 -1.482) 7.188 1.772 ( -2.814 -6.141 2.052) 7.060 1.886 ( -2.545 -3.449 0.890) 4.377 2.216 ( 0.044 0.361 -3.830) 3.848 2.368 ( 1.906 -13.229 -0.485) 13.374 2.438 ( -0.210 -9.809 0.371) 9.818 2.494 ( -0.410 -0.585 5.541) 5.586 2.695 ( 1.519 2.610 -0.921) 3.157 2.838 ( 1.156 -0.985 -0.317) 1.552 4.271 ( 0.411 12.705 1.973) 12.864 4.357 ( -2.887 13.480 -0.244) 13.788 4.644 ( -6.104 15.733 0.156) 16.876 4.847 ( -10.214 0.912 1.057) 10.309 5.136 ( -1.136 -1.058 -5.223) 5.449 5.208 ( -5.998 5.379 -0.496) 8.072 5.419 ( -10.344 -3.342 0.580) 10.886 5.762 ( -1.217 -5.286 1.620) 5.661 6.001 ( -3.501 2.502 -1.570) 4.580 6.181 ( -0.671 -4.077 0.377) 4.149 6.250 ( 5.437 -2.491 -1.160) 6.092 6.367 ( 3.397 2.492 7.663) 8.745 6.557 ( -6.542 0.440 -4.116) 7.742 6.676 ( -0.200 4.591 1.487) 4.830 6.808 ( -0.770 -1.700 2.648) 3.240 6.920 ( 2.393 2.191 -0.215) 3.252 7.636 ( -1.366 2.315 -6.141) 6.703 7.743 ( -0.271 4.248 4.627) 6.287 7.984 ( -0.293 -0.095 0.253) 0.398 8.108 ( 1.059 6.755 -1.096) 6.925 8.942 ( -0.314 0.985 -2.256) 2.482 9.147 ( 0.431 1.406 -0.647) 1.606 9.992 ( 0.828 1.092 1.089) 1.750 10.093 ( 0.475 1.515 0.591) 1.694======================= Grid point 221 (90/189) =======================q-point: ( 0.54 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.004 ( -1.271 -3.005 -0.928) 3.392 1.032 ( -2.453 -4.343 0.268) 4.995 1.127 ( -0.197 -0.867 -1.640) 1.865 1.187 ( 0.001 -1.249 -1.713) 2.120 1.249 ( 0.507 -5.774 -1.717) 6.045 1.308 ( 1.222 -3.885 1.210) 4.248 1.346 ( 0.306 -4.951 1.450) 5.168 1.389 ( -0.813 -4.177 0.659) 4.306 1.645 ( 1.429 -0.402 -2.680) 3.064 1.746 ( -0.120 -2.227 -0.454) 2.276 1.827 ( -3.583 -1.604 2.510) 4.659 1.921 ( -1.550 -1.402 -1.421) 2.527 2.194 ( 0.538 2.756 -0.274) 2.821 2.316 ( 0.883 8.691 1.890) 8.938 2.609 ( -2.049 -3.688 -3.000) 5.177 2.682 ( -1.367 -7.977 2.757) 8.550 2.711 ( 1.680 -8.934 2.212) 9.356 2.930 ( 1.515 -6.647 -0.845) 6.870 4.051 ( -1.513 8.957 2.444) 9.407 4.109 ( -4.570 8.194 1.227) 9.462 4.324 ( -8.110 11.101 -0.149) 13.749 4.624 ( -8.303 11.467 -2.090) 14.311 5.056 ( -3.877 2.669 -4.103) 6.244 5.148 ( -5.852 0.137 -1.850) 6.139 5.502 ( -5.627 -6.938 2.346) 9.236 5.814 ( -1.377 -0.505 2.470) 2.873 5.958 ( -2.760 -0.833 -0.805) 2.993 6.242 ( -2.890 -2.858 -3.043) 5.078 6.300 ( 1.755 -0.639 0.659) 1.980 6.394 ( 5.277 -0.404 5.539) 7.660 6.522 ( -4.305 -1.079 -1.256) 4.613 6.628 ( 0.563 1.203 0.209) 1.345 6.822 ( -0.045 1.087 1.260) 1.664 6.909 ( 0.468 0.205 0.077) 0.516 7.592 ( -0.384 0.626 -3.229) 3.311 7.658 ( -0.950 4.879 -0.490) 4.995 7.987 ( 0.900 1.141 1.560) 2.132 8.015 ( -0.435 2.154 0.296) 2.217 8.919 ( 0.528 0.902 -1.565) 1.882 9.123 ( 0.476 1.272 -0.536) 1.460 9.979 ( 0.284 0.834 0.807) 1.194 10.073 ( 0.277 0.938 0.424) 1.066======================= Grid point 222 (91/189) =======================q-point: ( 0.62 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( -1.029 -3.383 -0.600) 3.586 1.106 ( -1.274 -4.621 -0.323) 4.804 1.130 ( -0.191 -0.110 -1.178) 1.199 1.202 ( 0.216 -0.668 -0.849) 1.102 1.352 ( 0.000 -5.497 -0.977) 5.583 1.391 ( 0.347 -3.902 0.376) 3.935 1.424 ( -1.626 -3.375 -0.279) 3.757 1.483 ( 0.121 -5.598 1.120) 5.710 1.655 ( 2.430 0.743 0.168) 2.546 1.752 ( -0.081 1.052 0.073) 1.058 1.822 ( -1.010 1.963 1.622) 2.740 1.919 ( 1.703 1.591 -3.370) 4.097 2.093 ( -2.386 5.653 3.675) 7.153 2.171 ( 0.277 6.978 -0.633) 7.012 2.648 ( -0.183 -3.232 -2.245) 3.939 2.798 ( -2.125 -4.710 4.313) 6.731 2.889 ( 1.424 -6.405 0.024) 6.562 3.055 ( 0.376 -5.457 -1.805) 5.760 3.999 ( -0.797 -4.446 2.072) 4.970 4.030 ( -2.795 -1.899 0.802) 3.473 4.168 ( -5.678 1.568 0.802) 5.945 4.415 ( -4.100 5.810 -2.286) 7.469 4.973 ( -3.025 1.991 -0.320) 3.635 5.168 ( -3.944 -5.793 -3.864) 8.003 5.612 ( -3.200 -6.495 3.461) 8.025 5.816 ( -1.808 -1.032 1.761) 2.727 6.008 ( -0.418 -4.746 0.244) 4.771 6.238 ( -2.559 0.284 -4.573) 5.248 6.329 ( 1.045 -1.574 2.133) 2.850 6.444 ( 1.855 -2.224 0.433) 2.928 6.515 ( -1.947 0.715 -0.966) 2.288 6.634 ( 3.990 -0.267 0.058) 3.999 6.779 ( -1.860 3.193 2.277) 4.341 6.883 ( 0.140 2.950 -0.200) 2.960 7.541 ( 0.075 3.860 -4.256) 5.746 7.596 ( 0.116 0.064 -1.540) 1.546 7.955 ( 0.336 1.681 1.717) 2.427 8.014 ( -1.276 -0.257 2.541) 2.855 8.901 ( 1.075 1.119 -0.361) 1.594 9.099 ( 0.314 1.286 -0.311) 1.360 9.968 ( -0.235 0.529 0.275) 0.641 10.061 ( 0.124 0.517 0.224) 0.577======================= Grid point 223 (92/189) =======================q-point: ( 0.69 0.23 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( -0.333 -0.625 -0.654) 0.964 1.126 ( 0.912 -0.770 0.055) 1.195 1.188 ( -0.471 -3.711 -1.074) 3.892 1.208 ( 0.511 -0.150 -0.107) 0.543 1.444 ( -0.891 -3.063 -0.066) 3.191 1.455 ( 0.149 -2.202 0.036) 2.208 1.488 ( -0.906 -6.020 0.201) 6.091 1.593 ( 0.517 -3.617 -0.051) 3.654 1.629 ( 1.211 2.310 3.060) 4.021 1.704 ( 1.162 4.160 0.391) 4.337 1.755 ( -0.160 4.032 1.035) 4.165 1.848 ( 1.631 4.728 -0.611) 5.038 2.019 ( -3.083 1.786 -2.140) 4.157 2.074 ( 0.507 2.170 0.343) 2.255 2.706 ( 0.576 -2.782 -1.309) 3.128 2.862 ( -0.766 -1.590 1.200) 2.134 2.976 ( -1.193 -2.531 1.437) 3.146 3.121 ( 0.827 -1.808 -2.575) 3.253 4.122 ( 0.655 -6.375 0.892) 6.470 4.181 ( -0.491 -4.608 3.100) 5.575 4.212 ( -0.102 -14.275 2.145) 14.435 4.329 ( -2.083 1.020 0.759) 2.440 4.969 ( -1.653 -2.850 0.686) 3.365 5.293 ( -0.214 -9.225 -3.393) 9.831 5.748 ( 1.147 -7.320 1.334) 7.529 5.854 ( -3.403 -3.789 0.727) 5.144 6.103 ( -0.664 -4.360 -0.813) 4.485 6.192 ( -1.580 1.423 -2.214) 3.070 6.374 ( 1.648 -1.490 0.406) 2.259 6.460 ( 0.489 2.866 -1.530) 3.285 6.526 ( -0.632 -4.758 -1.124) 4.930 6.625 ( 4.765 4.293 0.973) 6.487 6.716 ( -4.377 1.906 -2.912) 5.591 6.822 ( 0.982 2.102 1.754) 2.908 7.487 ( 1.453 0.294 -3.970) 4.238 7.600 ( 0.538 -0.239 -0.301) 0.661 7.943 ( -0.758 0.075 1.591) 1.764 8.008 ( -1.552 0.977 2.978) 3.497 8.886 ( 1.304 1.187 1.131) 2.095 9.077 ( 0.116 1.104 0.028) 1.111 9.959 ( -0.521 0.189 -0.340) 0.650 10.055 ( 0.036 0.231 -0.016) 0.234======================= Grid point 224 (93/189) =======================q-point: (-0.23 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( -0.016 1.093 0.526) 1.213 1.156 ( 0.937 -0.900 -0.626) 1.442 1.198 ( 0.084 0.560 0.835) 1.009 1.241 ( -0.356 -1.650 -0.725) 1.837 1.430 ( -0.093 3.242 0.272) 3.255 1.498 ( -1.063 4.244 2.405) 4.993 1.526 ( -0.150 -1.372 -0.125) 1.386 1.630 ( 1.753 3.037 -2.219) 4.149 1.644 ( 1.788 1.717 1.868) 3.104 1.657 ( -0.786 -7.606 1.631) 7.819 1.715 ( 0.768 1.873 0.477) 2.080 1.815 ( 1.020 -2.362 3.672) 4.484 2.012 ( -2.065 -3.931 -4.024) 5.993 2.078 ( -0.405 -2.748 -2.636) 3.829 2.737 ( 0.906 -0.034 -0.241) 0.938 2.848 ( -0.213 3.007 0.075) 3.015 2.973 ( -3.275 2.138 1.345) 4.136 3.114 ( 1.752 2.782 -2.135) 3.920 4.176 ( -1.417 1.475 1.756) 2.695 4.286 ( 2.066 -3.238 0.329) 3.855 4.397 ( 2.856 -10.126 8.480) 13.513 4.550 ( -1.538 -16.684 3.238) 17.065 5.051 ( -1.332 -6.110 -0.802) 6.305 5.463 ( 1.449 -7.502 -1.549) 7.796 5.856 ( 1.117 -2.480 -4.772) 5.493 5.938 ( -3.239 -6.603 -1.286) 7.466 6.090 ( -1.484 2.329 -1.787) 3.290 6.217 ( 0.457 -2.326 1.037) 2.588 6.382 ( 0.424 1.698 -0.839) 1.940 6.417 ( 1.494 0.487 0.277) 1.596 6.507 ( -2.239 4.860 -0.395) 5.366 6.614 ( -2.774 3.520 -5.375) 6.999 6.678 ( 2.605 -6.223 0.486) 6.764 6.849 ( 1.304 -2.739 -0.559) 3.084 7.524 ( 2.327 -3.442 -0.705) 4.214 7.608 ( 0.186 -0.366 0.460) 0.616 7.949 ( -2.098 -0.759 0.965) 2.431 7.980 ( -0.708 1.820 2.078) 2.851 8.881 ( 1.426 0.651 2.557) 2.999 9.062 ( 0.087 0.461 0.403) 0.618 9.952 ( -0.572 -0.022 -0.941) 1.102 10.053 ( 0.014 0.028 -0.246) 0.248======================= Grid point 225 (94/189) =======================q-point: (-0.15 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.071 ( 0.029 0.820 0.940) 1.247 1.162 ( 0.632 0.377 -0.537) 0.911 1.184 ( 0.462 1.587 1.765) 2.418 1.255 ( -0.926 -0.062 0.098) 0.933 1.333 ( -0.200 7.329 2.526) 7.755 1.380 ( -0.857 5.846 1.149) 6.019 1.482 ( -1.873 5.501 -2.803) 6.451 1.565 ( 2.381 5.704 -2.392) 6.628 1.649 ( 2.526 -0.390 2.393) 3.501 1.695 ( -1.104 -2.616 1.596) 3.257 1.822 ( -0.661 -6.148 2.215) 6.569 1.946 ( 1.730 -8.165 3.870) 9.200 2.069 ( -3.022 -3.339 -5.226) 6.898 2.178 ( 1.001 -8.399 -3.995) 9.354 2.710 ( -0.772 4.007 1.729) 4.432 2.758 ( 1.463 5.634 0.465) 5.839 2.878 ( -3.626 5.734 0.714) 6.821 3.020 ( 2.245 7.150 -2.319) 7.845 4.131 ( -2.378 1.484 2.558) 3.795 4.321 ( -0.081 -0.837 -2.262) 2.414 4.707 ( 1.039 -15.887 12.202) 20.059 4.804 ( -2.245 -9.227 3.067) 9.980 5.177 ( -2.907 -8.495 -1.302) 9.072 5.528 ( -2.297 0.949 0.197) 2.493 5.862 ( -0.777 -0.513 -7.759) 7.814 5.977 ( -2.075 -0.623 -3.813) 4.386 6.065 ( 0.248 0.564 -1.729) 1.836 6.222 ( -0.102 2.344 0.911) 2.517 6.373 ( 0.073 1.855 -0.524) 1.929 6.397 ( -2.313 -0.392 -2.019) 3.095 6.447 ( 0.407 -1.449 2.640) 3.038 6.552 ( -2.871 -0.257 -3.751) 4.730 6.812 ( 3.168 -5.010 -0.103) 5.928 6.896 ( 0.376 -1.532 -2.970) 3.363 7.613 ( 0.932 -2.303 2.274) 3.368 7.624 ( 0.727 -2.631 0.742) 2.828 7.926 ( -3.497 0.993 0.766) 3.715 7.978 ( 1.153 -0.633 0.361) 1.364 8.896 ( 1.597 -0.420 3.377) 3.759 9.065 ( 0.343 -0.573 0.631) 0.919 9.947 ( -0.438 -0.095 -1.397) 1.467 10.052 ( 0.035 -0.101 -0.392) 0.407======================= Grid point 226 (95/189) =======================q-point: (-0.08 0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.040 ( -0.176 3.439 2.012) 3.989 1.135 ( -0.210 5.378 4.850) 7.245 1.147 ( 0.876 2.098 -0.805) 2.412 1.191 ( -1.604 5.898 0.298) 6.120 1.235 ( 0.551 2.452 0.128) 2.517 1.267 ( -1.990 5.563 2.878) 6.572 1.345 ( -0.833 5.899 -4.865) 7.691 1.449 ( 0.937 5.422 -2.332) 5.976 1.683 ( 1.411 -0.437 1.882) 2.392 1.722 ( -0.518 1.178 3.905) 4.111 1.906 ( -1.457 -3.125 -0.312) 3.463 2.029 ( 0.941 3.373 -6.073) 7.010 2.133 ( -2.152 -6.711 5.153) 8.731 2.330 ( 1.915 -5.897 -3.651) 7.196 2.567 ( -1.659 8.820 2.049) 9.206 2.685 ( 1.558 3.872 0.234) 4.180 2.736 ( -1.984 7.895 -0.035) 8.140 2.871 ( 1.637 7.632 -2.007) 8.060 4.151 ( -2.520 -5.016 1.421) 5.791 4.340 ( -1.133 -3.227 -2.055) 3.990 4.871 ( -6.099 -2.984 0.844) 6.842 5.071 ( -0.961 -14.874 11.736) 18.971 5.285 ( -5.075 -1.480 0.385) 5.300 5.461 ( -5.335 -0.620 -1.908) 5.700 5.787 ( -3.586 6.810 -1.269) 7.801 5.950 ( -1.955 0.162 -6.510) 6.799 6.084 ( 0.711 -4.330 -3.705) 5.743 6.159 ( 2.482 4.279 0.822) 5.014 6.291 ( -4.041 3.160 -1.255) 5.281 6.403 ( -2.827 2.900 -1.722) 4.401 6.512 ( -0.279 -5.905 0.075) 5.912 6.603 ( 0.143 -6.025 1.425) 6.193 6.825 ( 1.536 5.778 0.200) 5.982 6.927 ( 0.083 -3.254 -5.920) 6.756 7.636 ( -0.654 -1.009 2.926) 3.163 7.693 ( 0.559 -1.737 0.990) 2.076 7.921 ( -1.744 -2.172 1.646) 3.235 8.004 ( 1.312 -1.570 -0.465) 2.098 8.932 ( 1.447 -1.343 3.194) 3.755 9.090 ( 0.620 -1.511 0.592) 1.737 9.945 ( -0.027 -0.333 -1.520) 1.556 10.056 ( 0.144 -0.376 -0.366) 0.545======================= Grid point 231 (96/189) =======================q-point: ( 0.31 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.635 ( 6.940 0.000 1.982) 7.217 0.800 ( 1.292 0.000 -17.614) 17.661 0.817 ( 10.075 0.000 -1.753) 10.226 0.882 ( 7.267 0.000 3.198) 7.939 1.080 ( -3.505 -0.000 0.084) 3.506 1.097 ( 5.228 0.000 0.457) 5.248 1.220 ( -4.687 -0.000 0.828) 4.759 1.222 ( -2.707 -0.000 -0.834) 2.833 1.299 ( -2.035 -0.000 1.108) 2.317 1.330 ( -3.127 -0.000 5.656) 6.463 1.381 ( -0.535 -0.000 -1.384) 1.484 1.577 ( 0.829 0.000 -0.181) 0.848 1.701 ( 0.145 0.000 -10.191) 10.192 2.008 ( 7.908 0.000 14.565) 16.573 2.353 ( -4.695 -0.000 -6.666) 8.154 2.576 ( -0.703 -0.000 3.888) 3.951 2.834 ( 2.053 0.000 -0.801) 2.204 3.015 ( 3.636 0.000 0.532) 3.674 3.340 ( 2.242 0.000 2.714) 3.521 3.873 ( 12.290 0.000 -4.437) 13.067 4.564 ( 10.914 0.000 2.395) 11.174 5.028 ( 12.852 0.000 -0.632) 12.868 5.172 ( 3.684 0.000 -0.740) 3.757 5.390 ( -3.299 -0.000 -10.247) 10.765 5.862 ( 5.408 0.000 11.365) 12.586 6.064 ( -3.625 -0.000 0.261) 3.634 6.095 ( 12.592 0.000 -1.051) 12.636 6.191 ( -3.822 -0.000 -0.191) 3.826 6.254 ( -2.741 -0.000 0.139) 2.744 6.362 ( -3.671 -0.000 -0.152) 3.675 6.626 ( -1.197 -0.000 -2.572) 2.837 6.796 ( 1.214 0.000 2.813) 3.064 6.914 ( 0.298 0.000 1.943) 1.965 7.012 ( 1.767 0.000 2.076) 2.726 7.789 ( -0.612 -0.000 -1.385) 1.514 7.936 ( -1.541 -0.000 -5.048) 5.278 8.024 ( -1.402 -0.000 2.057) 2.489 8.434 ( 0.256 0.000 -1.581) 1.601 9.005 ( -2.010 -0.000 -2.025) 2.853 9.219 ( -0.365 -0.000 -0.772) 0.854 10.044 ( 0.427 0.000 0.331) 0.540 10.176 ( -0.158 -0.000 1.594) 1.602======================= Grid point 232 (97/189) =======================q-point: ( 0.38 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( 4.109 -2.323 -13.741) 14.529 0.798 ( 5.348 -7.766 1.917) 9.622 0.909 ( 6.453 -3.358 -2.511) 7.696 1.002 ( 6.228 -7.210 0.480) 9.539 1.083 ( -3.343 -1.993 1.058) 4.033 1.143 ( -1.528 0.319 4.505) 4.768 1.174 ( 3.467 -1.979 0.532) 4.027 1.208 ( -4.167 -0.187 0.223) 4.177 1.332 ( -2.656 -5.639 -0.758) 6.279 1.400 ( 0.434 -3.505 1.053) 3.686 1.467 ( -4.819 -10.479 -1.735) 11.663 1.688 ( -1.523 -7.542 -0.138) 7.696 1.726 ( 4.185 -8.194 -8.004) 12.195 2.124 ( 7.688 -3.125 13.250) 15.634 2.277 ( -4.810 1.993 -7.068) 8.779 2.566 ( -0.887 1.186 4.174) 4.429 2.792 ( 2.645 3.475 -1.097) 4.503 2.983 ( 3.001 4.034 -0.371) 5.042 3.759 ( -2.012 -33.855 0.971) 33.928 4.191 ( 4.184 -23.622 -3.136) 24.194 4.640 ( 7.702 0.529 2.929) 8.258 5.065 ( 11.115 2.837 -1.063) 11.521 5.157 ( 2.819 4.842 1.857) 5.902 5.377 ( 0.029 -2.476 -7.840) 8.222 5.686 ( -2.118 14.476 7.777) 16.569 5.875 ( -3.436 13.735 0.269) 14.161 6.181 ( -1.804 4.365 -0.841) 4.797 6.210 ( 7.446 -1.219 -0.390) 7.555 6.252 ( -2.729 6.490 0.697) 7.075 6.336 ( 0.622 -7.078 4.625) 8.478 6.606 ( -3.502 0.747 -3.333) 4.892 6.795 ( 0.771 1.302 2.793) 3.176 6.888 ( -0.743 3.325 1.843) 3.874 7.013 ( 2.320 1.641 1.825) 3.377 7.748 ( -2.432 2.074 -9.150) 9.692 7.895 ( 0.186 2.561 2.009) 3.260 8.007 ( -1.272 1.394 1.152) 2.211 8.379 ( 0.590 5.101 -2.172) 5.575 8.980 ( -1.378 0.776 -2.173) 2.688 9.203 ( -0.164 1.161 -0.813) 1.427 10.039 ( 0.797 1.010 1.148) 1.724 10.163 ( 0.163 1.588 1.232) 2.016======================= Grid point 233 (98/189) =======================q-point: ( 0.46 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.838 ( 4.390 -6.206 -8.159) 11.151 0.910 ( 3.265 -1.906 1.162) 3.955 1.017 ( 5.625 -4.559 -3.223) 7.925 1.092 ( -0.247 -1.203 -0.950) 1.552 1.139 ( -1.053 -1.802 1.121) 2.369 1.173 ( -1.860 -4.998 1.976) 5.687 1.211 ( -1.705 -1.619 2.925) 3.753 1.247 ( 0.383 -2.965 1.430) 3.314 1.477 ( 0.155 -10.145 -2.924) 10.559 1.537 ( -1.246 -7.318 0.066) 7.423 1.620 ( -0.403 -9.030 -0.370) 9.047 1.787 ( -1.854 -5.673 -0.875) 6.032 2.022 ( 1.943 -18.357 -1.720) 18.539 2.205 ( -3.376 0.522 -7.327) 8.084 2.286 ( 4.109 -6.709 8.745) 11.763 2.555 ( -0.052 1.461 4.217) 4.463 2.743 ( 1.701 2.392 -1.103) 3.135 2.898 ( 1.447 5.466 -1.290) 5.799 4.341 ( -2.903 -21.170 0.246) 21.369 4.517 ( 2.794 4.062 0.747) 4.987 4.656 ( -1.387 -8.331 2.242) 8.738 4.968 ( -0.677 14.198 2.447) 14.423 5.057 ( 8.116 3.553 -2.131) 9.112 5.317 ( -8.438 2.569 -5.379) 10.331 5.490 ( -5.032 18.233 1.994) 19.019 5.643 ( -2.709 -4.716 3.533) 6.485 6.066 ( -0.900 5.434 -0.892) 5.580 6.150 ( -0.511 1.461 1.180) 1.946 6.261 ( 7.079 -0.016 -0.640) 7.108 6.433 ( 2.048 -0.447 6.576) 6.902 6.532 ( -5.777 2.454 -4.143) 7.520 6.781 ( -1.842 2.344 -0.114) 2.983 6.800 ( -0.338 3.813 4.850) 6.179 6.983 ( 1.768 2.903 -0.462) 3.430 7.650 ( -2.419 2.648 -10.625) 11.214 7.850 ( 0.870 4.418 6.573) 7.967 7.979 ( -1.145 0.422 -1.176) 1.695 8.251 ( 0.981 7.495 -2.006) 7.821 8.952 ( -0.306 0.916 -1.785) 2.030 9.174 ( 0.165 1.445 -0.776) 1.648 10.023 ( 0.649 1.353 1.395) 2.049 10.132 ( 0.331 2.008 0.861) 2.210======================= Grid point 234 (99/189) =======================q-point: ( 0.54 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( 2.219 -3.909 -2.695) 5.241 0.953 ( -0.200 -2.201 0.066) 2.211 1.093 ( 0.097 -1.950 -2.390) 3.086 1.126 ( 1.434 -3.867 -4.123) 5.832 1.170 ( -0.640 -1.996 0.594) 2.178 1.253 ( 0.669 -3.738 0.139) 3.800 1.264 ( -1.289 -3.483 3.029) 4.793 1.316 ( 0.293 -3.696 2.484) 4.463 1.607 ( -0.637 -3.248 -4.424) 5.525 1.652 ( 0.302 -7.025 -1.534) 7.197 1.764 ( -1.469 -4.142 3.119) 5.390 1.866 ( -2.099 -3.300 0.725) 3.977 2.194 ( 0.537 -2.238 -4.141) 4.738 2.382 ( 1.631 -17.376 -1.310) 17.501 2.442 ( -0.575 -3.095 2.154) 3.814 2.523 ( -0.582 0.859 6.074) 6.162 2.707 ( 1.417 2.440 -0.527) 2.871 2.842 ( 0.331 -1.747 -1.475) 2.311 4.300 ( 1.410 14.596 4.488) 15.335 4.346 ( -0.387 14.797 3.581) 15.230 4.595 ( -3.508 18.983 -0.001) 19.304 4.761 ( -6.358 2.152 1.408) 6.858 5.088 ( -1.617 7.345 -7.433) 10.574 5.154 ( -1.790 2.343 -1.923) 3.520 5.313 ( -7.445 -8.219 -1.816) 11.238 5.770 ( -1.009 -4.633 4.294) 6.397 5.978 ( 0.375 3.351 0.654) 3.435 6.170 ( -1.228 -2.382 -0.236) 2.690 6.295 ( 3.778 -0.534 -1.294) 4.029 6.454 ( -5.746 0.951 -2.821) 6.472 6.463 ( 3.541 -0.276 6.913) 7.771 6.680 ( -0.755 4.321 1.499) 4.636 6.811 ( -1.086 -1.687 1.788) 2.688 6.930 ( 0.613 2.302 -2.014) 3.119 7.583 ( -1.091 0.462 -6.707) 6.811 7.767 ( -0.189 6.129 3.813) 7.221 7.976 ( -0.727 -0.970 -0.819) 1.463 8.114 ( 0.962 6.526 -0.811) 6.646 8.934 ( 0.695 0.709 -1.112) 1.491 9.147 ( 0.325 1.275 -0.708) 1.494 10.004 ( 0.184 1.290 1.015) 1.652 10.100 ( 0.204 1.608 0.666) 1.752======================= Grid point 235 (100/189) =======================q-point: ( 0.62 0.31 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 0.001 -2.394 -0.758) 2.511 1.011 ( -1.429 -3.679 -0.100) 3.949 1.115 ( 0.030 -1.177 -1.912) 2.246 1.177 ( 0.328 -1.772 -2.136) 2.795 1.240 ( -0.426 -5.452 -1.609) 5.701 1.325 ( 0.651 -3.433 1.149) 3.678 1.343 ( -1.062 -4.408 -0.076) 4.535 1.398 ( 0.503 -3.872 1.806) 4.302 1.653 ( 2.521 -2.219 -1.798) 3.809 1.736 ( -0.987 -2.468 -0.810) 2.779 1.809 ( -2.214 -1.894 2.231) 3.669 1.902 ( -0.120 -1.781 -1.194) 2.147 2.199 ( 0.476 3.219 -0.121) 3.257 2.338 ( 0.676 9.531 2.539) 9.886 2.570 ( -1.927 -3.935 -2.673) 5.132 2.677 ( -0.702 -10.168 0.318) 10.197 2.750 ( 1.182 -6.685 4.474) 8.130 2.935 ( 0.520 -6.466 -1.359) 6.628 4.064 ( -0.476 10.091 3.794) 10.791 4.096 ( 0.338 9.539 4.145) 10.406 4.258 ( -3.656 11.692 -0.797) 12.276 4.558 ( -1.694 11.499 -1.091) 11.675 4.994 ( -2.072 0.935 -5.716) 6.151 5.082 ( -2.679 1.349 -3.494) 4.605 5.470 ( -2.435 -8.276 1.804) 8.813 5.811 ( -1.584 -0.206 2.378) 2.864 5.963 ( 2.405 -0.592 2.594) 3.586 6.186 ( -3.025 -1.209 -4.250) 5.355 6.320 ( 1.144 -1.057 0.522) 1.643 6.418 ( -3.980 -0.829 -1.964) 4.515 6.515 ( 2.816 -0.204 3.990) 4.888 6.639 ( 0.622 0.320 1.126) 1.325 6.828 ( -0.170 0.790 1.305) 1.535 6.907 ( -0.298 0.093 -0.712) 0.778 7.573 ( 0.405 -0.808 -3.216) 3.340 7.643 ( -0.723 6.521 -1.275) 6.684 7.997 ( -0.957 -1.389 1.132) 2.031 8.016 ( 0.506 4.063 0.534) 4.129 8.924 ( 1.315 0.684 -0.318) 1.516 9.124 ( 0.242 1.211 -0.564) 1.357 9.983 ( -0.286 1.072 0.459) 1.200 10.078 ( 0.058 1.031 0.485) 1.141======================= Grid point 236 (101/189) =======================q-point: (-0.31 -0.69 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.047 ( 0.092 -3.535 -0.440) 3.564 1.093 ( -0.047 -4.954 -0.667) 4.999 1.127 ( 0.352 -0.573 -1.043) 1.241 1.199 ( 0.157 -0.925 -0.972) 1.351 1.344 ( -0.475 -6.039 -0.860) 6.118 1.390 ( -0.582 -3.243 -0.279) 3.306 1.413 ( -0.278 -3.295 0.437) 3.336 1.495 ( 0.989 -5.576 0.621) 5.697 1.686 ( 2.186 0.722 1.214) 2.603 1.751 ( -0.311 0.232 0.508) 0.640 1.820 ( -1.253 1.274 1.535) 2.356 1.915 ( 1.391 0.867 -3.787) 4.127 2.086 ( -2.517 6.836 3.375) 8.029 2.175 ( 1.188 7.517 -0.601) 7.633 2.635 ( 0.027 -4.150 -1.802) 4.524 2.800 ( -1.675 -4.466 3.046) 5.659 2.902 ( 0.402 -5.585 1.208) 5.728 3.047 ( 0.503 -5.127 -2.269) 5.629 3.991 ( -2.648 -3.799 1.899) 5.005 4.054 ( 5.329 -1.960 1.780) 5.950 4.135 ( -1.774 0.050 1.717) 2.469 4.388 ( 1.349 5.686 -2.063) 6.197 4.949 ( -0.824 0.902 -0.203) 1.238 5.118 ( -0.081 -6.810 -5.063) 8.486 5.615 ( -0.232 -7.342 3.962) 8.346 5.814 ( 0.097 -0.533 1.062) 1.192 6.028 ( 2.399 -3.436 2.387) 4.823 6.167 ( -3.941 -0.526 -5.380) 6.689 6.355 ( 1.275 -1.599 1.638) 2.620 6.434 ( -2.652 -3.376 -1.925) 4.705 6.503 ( 0.330 2.347 -0.383) 2.401 6.663 ( 0.851 -1.185 -0.132) 1.465 6.780 ( 0.005 4.764 2.392) 5.331 6.886 ( 0.446 2.374 0.058) 2.416 7.521 ( 0.730 4.197 -3.999) 5.843 7.592 ( 0.785 -0.899 -1.598) 1.994 7.960 ( -1.125 1.865 1.216) 2.494 8.018 ( -0.739 -0.354 2.675) 2.798 8.917 ( 1.412 0.903 0.461) 1.739 9.100 ( 0.067 1.223 -0.305) 1.262 9.964 ( -0.541 0.718 -0.012) 0.899 10.064 ( -0.003 0.605 0.244) 0.653======================= Grid point 237 (102/189) =======================q-point: (-0.23 -0.69 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( -0.100 -0.704 0.029) 0.712 1.133 ( 0.704 -1.306 -0.783) 1.678 1.177 ( -0.364 -2.833 -0.785) 2.962 1.213 ( 0.511 -0.819 -0.199) 0.985 1.434 ( -0.622 -3.496 -0.198) 3.556 1.458 ( 0.321 -1.637 0.161) 1.676 1.487 ( 0.154 -6.770 0.748) 6.813 1.599 ( 0.913 -2.658 -0.894) 2.949 1.661 ( 1.011 2.067 2.806) 3.629 1.718 ( 0.504 3.399 1.010) 3.581 1.758 ( -0.792 3.819 1.701) 4.255 1.863 ( 1.868 3.346 -1.288) 4.042 1.971 ( -3.051 2.893 -1.526) 4.473 2.079 ( 0.642 3.215 -0.387) 3.301 2.706 ( 0.658 -3.186 -1.313) 3.508 2.858 ( -0.989 -1.521 0.851) 2.004 2.968 ( -1.884 -1.380 2.013) 3.083 3.117 ( 1.397 -2.369 -2.753) 3.891 4.130 ( -0.839 -6.895 0.989) 7.016 4.207 ( 1.379 -6.983 3.062) 7.748 4.234 ( 2.024 -13.093 3.265) 13.645 4.328 ( 1.165 0.764 -0.541) 1.495 4.965 ( -0.149 -2.386 1.153) 2.654 5.283 ( 2.336 -10.323 -3.796) 11.244 5.777 ( 2.372 -7.360 2.345) 8.081 5.834 ( -0.631 -1.349 -0.455) 1.557 6.086 ( -1.792 -0.465 -1.197) 2.204 6.167 ( 0.279 -3.132 -1.055) 3.317 6.394 ( 0.812 -0.954 1.083) 1.657 6.439 ( -2.279 2.088 -2.225) 3.809 6.501 ( -2.442 -3.522 -0.765) 4.353 6.650 ( -3.478 2.602 -3.482) 5.567 6.688 ( 4.489 4.643 1.597) 6.653 6.844 ( 1.591 1.504 0.572) 2.262 7.483 ( 1.742 -0.855 -3.419) 3.932 7.605 ( 0.735 -0.323 -0.364) 0.881 7.936 ( -2.170 0.327 1.398) 2.602 8.015 ( -0.543 1.157 2.882) 3.153 8.909 ( 1.218 0.843 1.161) 1.882 9.078 ( 0.003 0.981 0.025) 0.981 9.950 ( -0.509 0.342 -0.364) 0.714 10.055 ( 0.007 0.306 -0.007) 0.306======================= Grid point 238 (103/189) =======================q-point: (-0.15 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 0.016 0.817 0.521) 0.969 1.158 ( 0.377 -0.786 -1.022) 1.343 1.203 ( -0.253 -0.373 0.899) 1.006 1.231 ( -0.580 -1.134 -0.483) 1.363 1.432 ( 0.190 3.130 0.309) 3.151 1.499 ( -0.968 1.533 1.490) 2.347 1.523 ( -0.691 2.745 0.646) 2.903 1.635 ( 1.721 1.557 -2.752) 3.601 1.653 ( -0.822 -3.197 1.396) 3.584 1.678 ( 2.042 -0.589 1.089) 2.388 1.724 ( -0.337 0.283 0.795) 0.909 1.854 ( 1.763 -2.619 4.154) 5.217 1.964 ( -2.128 -3.673 -3.851) 5.732 2.060 ( 0.575 -2.264 -2.648) 3.532 2.743 ( 0.477 -0.390 -0.363) 0.716 2.846 ( -0.161 2.515 0.165) 2.526 2.944 ( -3.360 2.924 1.547) 4.715 3.123 ( 2.038 2.436 -1.739) 3.621 4.167 ( -2.163 1.730 1.991) 3.411 4.299 ( 0.278 -0.971 -0.703) 1.231 4.462 ( -0.426 -12.774 6.100) 14.162 4.543 ( -3.206 -15.951 3.579) 16.659 5.030 ( -1.488 -4.614 -0.251) 4.855 5.463 ( 0.407 -6.787 -1.761) 7.024 5.826 ( -0.554 0.047 -5.533) 5.561 5.915 ( -0.306 -4.089 0.366) 4.117 6.071 ( -0.740 0.038 -0.245) 0.780 6.229 ( 0.824 -1.733 0.535) 1.992 6.367 ( -2.050 1.412 -0.715) 2.589 6.426 ( -0.139 -0.777 -0.477) 0.922 6.470 ( -4.396 4.526 1.247) 6.432 6.559 ( -1.141 2.762 -3.952) 4.954 6.716 ( 3.571 -4.522 -0.553) 5.788 6.862 ( 1.807 -1.767 -1.063) 2.741 7.541 ( 1.813 -4.460 -1.244) 4.972 7.612 ( 0.040 -0.253 0.470) 0.535 7.923 ( -3.391 0.272 1.365) 3.666 7.995 ( 0.718 1.291 1.841) 2.360 8.909 ( 1.126 0.159 1.589) 1.954 9.066 ( 0.241 0.250 0.304) 0.461 9.942 ( -0.312 0.130 -0.596) 0.685 10.052 ( 0.055 0.086 -0.202) 0.227======================= Grid point 239 (104/189) =======================q-point: (-0.08 0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( 0.220 0.793 0.786) 1.138 1.160 ( -0.204 0.339 -1.015) 1.089 1.197 ( 0.333 1.099 0.962) 1.498 1.240 ( -1.966 0.019 0.400) 2.007 1.348 ( -0.063 6.968 3.092) 7.623 1.377 ( -0.812 5.848 0.572) 5.932 1.448 ( -1.792 6.105 -1.890) 6.637 1.571 ( 1.333 6.583 -2.473) 7.158 1.673 ( 0.026 -1.556 -0.579) 1.661 1.701 ( 1.030 -2.588 1.774) 3.302 1.827 ( -1.106 -5.291 2.506) 5.958 1.990 ( 1.348 -7.980 4.929) 9.476 2.008 ( -2.199 -2.880 -4.944) 6.130 2.167 ( 1.523 -8.229 -3.768) 9.178 2.709 ( -1.075 4.460 1.749) 4.910 2.781 ( 2.230 4.307 0.106) 4.851 2.841 ( -3.819 5.662 0.845) 6.882 3.034 ( 2.408 7.361 -1.684) 7.926 4.110 ( -4.066 1.696 2.640) 5.136 4.292 ( -2.702 -0.215 -2.539) 3.714 4.699 ( -9.807 -10.389 2.776) 14.554 4.813 ( -3.768 -14.027 5.978) 15.706 5.127 ( -4.086 -7.441 -0.230) 8.492 5.482 ( -6.129 2.843 0.614) 6.784 5.804 ( -1.627 -0.557 -7.134) 7.338 5.939 ( -2.269 1.205 -1.153) 2.816 6.052 ( -0.173 0.397 -0.700) 0.823 6.233 ( 0.422 1.849 0.801) 2.059 6.340 ( -4.115 4.105 -1.358) 5.968 6.379 ( -0.068 -1.795 0.435) 1.848 6.472 ( 0.867 -2.044 3.146) 3.850 6.520 ( 0.349 -0.979 -2.544) 2.748 6.829 ( 1.088 -5.262 -2.381) 5.877 6.889 ( 1.033 0.202 -1.543) 1.868 7.622 ( -0.466 -0.717 1.235) 1.502 7.640 ( 0.776 -4.470 -0.228) 4.543 7.897 ( -2.685 0.334 1.632) 3.160 7.994 ( 1.123 -0.143 0.446) 1.217 8.926 ( 1.069 -0.788 1.387) 1.921 9.074 ( 0.680 -0.737 0.394) 1.077 9.938 ( 0.033 -0.019 -0.629) 0.630 10.051 ( 0.144 -0.096 -0.280) 0.329======================= Grid point 245 (105/189) =======================q-point: ( 0.38 0.38 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( 5.081 0.000 1.542) 5.310 0.720 ( 5.060 0.000 -16.086) 16.863 0.909 ( 8.541 0.000 -1.861) 8.742 0.965 ( 4.380 0.000 0.926) 4.477 1.044 ( -3.146 -0.000 0.381) 3.169 1.160 ( 2.382 0.000 4.478) 5.072 1.178 ( -4.363 -0.000 -0.422) 4.383 1.179 ( -3.260 -0.000 1.142) 3.454 1.273 ( -4.226 -0.000 -3.720) 5.630 1.290 ( -0.835 -0.000 1.151) 1.421 1.400 ( -0.587 -0.000 2.940) 2.998 1.581 ( 0.495 0.000 -0.641) 0.809 1.669 ( 5.311 0.000 -8.139) 9.718 2.159 ( 0.781 0.000 5.146) 5.205 2.269 ( -0.774 -0.000 0.835) 1.139 2.587 ( -1.860 -0.000 4.634) 4.993 2.848 ( 1.526 0.000 -1.091) 1.876 3.044 ( 1.874 0.000 -1.180) 2.215 3.385 ( 1.768 0.000 4.709) 5.030 3.953 ( 8.452 0.000 -7.587) 11.358 4.688 ( 7.880 0.000 4.449) 9.049 5.154 ( 10.584 0.000 -1.357) 10.671 5.201 ( 3.669 0.000 -0.877) 3.772 5.349 ( 1.077 0.000 -0.737) 1.305 5.968 ( 0.831 0.000 12.131) 12.159 6.029 ( -3.194 -0.000 0.243) 3.204 6.158 ( -1.801 -0.000 -0.154) 1.808 6.224 ( -2.703 -0.000 0.185) 2.710 6.227 ( 11.357 0.000 0.150) 11.358 6.319 ( -3.840 -0.000 -0.199) 3.845 6.591 ( -2.536 -0.000 -1.904) 3.171 6.824 ( 0.941 0.000 1.654) 1.902 6.922 ( -0.530 -0.000 1.740) 1.819 7.043 ( 1.054 0.000 1.384) 1.739 7.718 ( -3.493 -0.000 -13.177) 13.632 7.916 ( -0.234 -0.000 -0.606) 0.649 8.030 ( -0.069 -0.000 4.025) 4.026 8.424 ( 0.329 0.000 -2.906) 2.925 8.974 ( -1.018 -0.000 -2.017) 2.259 9.211 ( -0.207 -0.000 -0.877) 0.901 10.057 ( 0.695 0.000 1.728) 1.862 10.184 ( -0.007 -0.000 1.287) 1.287======================= Grid point 246 (106/189) =======================q-point: ( 0.46 0.38 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( 7.298 -3.460 -11.002) 13.648 0.864 ( 4.316 -8.218 0.898) 9.326 0.965 ( 3.867 -1.848 -1.064) 4.416 1.026 ( -0.847 -5.203 -2.246) 5.730 1.063 ( 0.101 -1.902 -0.736) 2.042 1.135 ( -2.653 0.232 2.358) 3.557 1.177 ( -1.998 -1.526 2.098) 3.274 1.214 ( -0.115 -1.788 2.805) 3.329 1.303 ( 0.196 -6.189 -1.642) 6.406 1.405 ( -2.367 -10.183 -0.385) 10.461 1.422 ( -0.662 -3.871 1.340) 4.149 1.677 ( -0.186 -6.474 -0.025) 6.477 1.747 ( 6.560 -8.807 -5.119) 12.116 2.134 ( -8.705 -1.073 -8.176) 11.991 2.301 ( 6.779 0.250 10.576) 12.565 2.580 ( -1.507 0.759 4.775) 5.064 2.808 ( 1.448 3.384 -1.404) 3.939 3.000 ( 1.291 4.172 -1.616) 4.656 3.761 ( -0.347 -30.715 3.531) 30.919 4.196 ( 2.069 -20.720 -6.699) 21.874 4.741 ( 5.752 1.810 6.177) 8.632 5.161 ( 7.115 1.707 -1.391) 7.448 5.196 ( 1.404 6.388 2.687) 7.071 5.363 ( 3.376 0.929 -3.885) 5.230 5.705 ( -2.918 15.605 8.741) 18.123 5.838 ( -3.163 16.451 1.078) 16.787 6.163 ( -0.800 4.335 -0.138) 4.410 6.225 ( -2.155 5.766 0.351) 6.166 6.287 ( 5.151 -2.382 0.214) 5.679 6.377 ( 1.369 -7.551 4.344) 8.818 6.551 ( -2.888 2.249 -1.707) 4.038 6.808 ( -0.703 2.002 0.824) 2.276 6.893 ( -0.344 3.330 2.298) 4.061 7.033 ( 0.089 1.583 -0.402) 1.635 7.639 ( -3.023 1.571 -14.636) 15.027 7.911 ( -0.215 0.084 0.339) 0.410 8.014 ( 0.446 3.199 3.989) 5.133 8.369 ( 0.545 4.712 -3.069) 5.649 8.960 ( -0.143 0.501 -1.529) 1.615 9.197 ( 0.019 1.017 -0.831) 1.314 10.056 ( 0.419 1.059 1.978) 2.283 10.172 ( 0.068 1.536 1.050) 1.862======================= Grid point 247 (107/189) =======================q-point: ( 0.54 0.38 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.852 ( 5.678 -6.064 -5.953) 10.220 0.931 ( 0.044 -0.921 -1.690) 1.926 1.055 ( 2.424 -1.593 -1.832) 3.431 1.073 ( -0.935 -2.206 -1.138) 2.652 1.118 ( -1.445 -4.141 -0.529) 4.418 1.157 ( -1.771 -3.551 -0.915) 4.072 1.228 ( -0.824 -2.114 5.851) 6.276 1.261 ( 0.326 -3.445 2.562) 4.305 1.470 ( 1.011 -8.248 -3.065) 8.857 1.497 ( -2.445 -8.266 -2.524) 8.982 1.657 ( 2.840 -10.147 4.512) 11.463 1.774 ( 0.587 -4.401 -0.267) 4.448 2.019 ( -1.115 -15.360 -2.846) 15.661 2.118 ( -2.656 -6.104 -7.674) 10.159 2.379 ( 3.195 -2.333 7.555) 8.528 2.579 ( -0.505 0.593 5.124) 5.182 2.750 ( 0.689 2.403 -1.316) 2.825 2.895 ( 0.238 6.132 -2.461) 6.612 4.336 ( 0.363 -22.251 2.696) 22.416 4.544 ( 1.249 -6.315 -0.178) 6.439 4.684 ( 1.947 3.290 6.386) 7.443 4.959 ( -3.180 17.732 0.841) 18.034 5.135 ( 7.978 10.853 -4.854) 14.318 5.199 ( -6.502 0.186 -2.792) 7.079 5.425 ( -5.273 21.193 -1.940) 21.925 5.682 ( 1.914 -4.709 7.803) 9.313 6.070 ( 1.579 4.896 1.160) 5.273 6.153 ( -0.494 0.987 1.207) 1.636 6.320 ( 3.928 0.757 -0.347) 4.015 6.424 ( -6.558 1.752 -1.845) 7.035 6.521 ( 3.711 0.060 5.102) 6.309 6.756 ( -2.538 2.704 0.186) 3.713 6.819 ( -0.391 3.790 2.845) 4.755 6.980 ( -0.242 3.142 -3.155) 4.459 7.560 ( -1.534 0.765 -11.020) 11.153 7.896 ( 0.577 4.004 5.235) 6.616 7.957 ( -0.835 1.364 -1.790) 2.400 8.248 ( 0.700 6.963 -2.168) 7.326 8.947 ( 0.709 0.600 -0.930) 1.314 9.172 ( 0.217 1.335 -0.761) 1.552 10.036 ( -0.003 1.571 1.571) 2.222 10.139 ( 0.018 2.031 0.836) 2.196======================= Grid point 248 (108/189) =======================q-point: (-0.38 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.948 ( -0.478 -2.201 -0.174) 2.259 0.955 ( 1.422 -2.678 -2.738) 4.085 1.076 ( -0.465 -2.086 -2.330) 3.161 1.110 ( 0.255 -3.134 -4.180) 5.231 1.166 ( -0.492 -2.094 0.468) 2.201 1.239 ( -1.956 -5.404 -0.211) 5.750 1.278 ( -0.341 -2.378 3.784) 4.482 1.346 ( 1.523 -3.077 2.217) 4.086 1.579 ( 0.031 -5.926 -3.832) 7.058 1.644 ( 0.209 -5.788 -1.813) 6.069 1.779 ( 0.861 -1.618 2.971) 3.491 1.853 ( -0.462 -3.469 0.259) 3.509 2.175 ( 0.167 -6.523 -3.830) 7.567 2.385 ( 0.166 -14.958 -1.588) 15.043 2.453 ( 0.129 -3.076 2.781) 4.148 2.556 ( -0.247 3.768 6.216) 7.273 2.718 ( 0.893 1.205 -0.051) 1.501 2.827 ( -0.815 -2.652 -2.552) 3.769 4.351 ( 1.397 16.700 6.357) 17.923 4.394 ( 2.605 15.562 7.520) 17.479 4.560 ( -1.679 19.810 -1.809) 19.963 4.736 ( 0.176 1.082 1.984) 2.267 5.014 ( -1.150 10.258 -10.442) 14.683 5.142 ( 1.674 4.534 -2.686) 5.529 5.248 ( -2.201 -12.966 -1.760) 13.269 5.788 ( 0.167 -2.760 3.480) 4.445 6.017 ( 3.426 2.837 4.030) 6.002 6.152 ( -1.197 -0.339 -1.186) 1.719 6.317 ( 1.333 0.627 -0.617) 1.597 6.360 ( -6.426 -0.595 -1.836) 6.710 6.560 ( 4.353 0.409 5.807) 7.269 6.681 ( -0.356 3.485 1.614) 3.857 6.807 ( -1.311 -1.945 0.999) 2.549 6.913 ( -0.219 1.929 -3.512) 4.013 7.535 ( -0.282 -1.354 -6.204) 6.356 7.784 ( -0.189 7.941 2.577) 8.351 7.960 ( -1.011 -1.763 -1.059) 2.292 8.118 ( 0.593 6.131 -0.649) 6.194 8.940 ( 1.194 0.436 -0.487) 1.362 9.146 ( 0.171 1.242 -0.705) 1.438 10.008 ( -0.345 1.549 0.920) 1.834 10.105 ( -0.134 1.650 0.684) 1.792======================= Grid point 249 (109/189) =======================q-point: (-0.31 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.991 ( 0.330 -2.210 -0.815) 2.378 1.006 ( 1.167 -4.039 -0.161) 4.207 1.103 ( -0.173 -1.426 -1.943) 2.417 1.166 ( 0.246 -2.554 -2.740) 3.753 1.224 ( -0.866 -4.989 -0.601) 5.099 1.327 ( -1.770 -4.364 0.990) 4.812 1.339 ( 0.390 -3.241 1.163) 3.465 1.412 ( 0.916 -3.598 0.157) 3.716 1.675 ( 2.634 -3.541 -0.733) 4.474 1.716 ( -1.228 -3.187 -1.605) 3.774 1.807 ( -0.446 -0.906 2.214) 2.433 1.904 ( 1.626 -1.535 -1.153) 2.516 2.199 ( -0.422 3.641 -0.045) 3.665 2.363 ( 1.148 10.011 2.463) 10.373 2.535 ( -2.076 -4.929 -1.674) 5.604 2.674 ( 0.067 -9.614 -0.100) 9.615 2.787 ( 0.604 -6.341 4.488) 7.792 2.925 ( -0.328 -6.871 -1.962) 7.153 4.072 ( -1.663 11.981 3.748) 12.663 4.172 ( 5.730 8.924 6.669) 12.528 4.236 ( 2.256 12.149 -2.515) 12.610 4.571 ( 4.794 12.207 -1.332) 13.182 4.947 ( 0.718 -1.856 -6.114) 6.430 5.054 ( 1.427 2.691 -3.395) 4.561 5.473 ( 1.125 -9.596 1.690) 9.808 5.820 ( 1.523 -0.127 1.446) 2.104 6.025 ( 3.883 -0.048 4.714) 6.107 6.131 ( -2.305 0.479 -3.999) 4.640 6.327 ( -1.142 -1.994 0.223) 2.309 6.359 ( -2.817 -1.953 -1.208) 3.635 6.560 ( 1.112 2.646 1.757) 3.366 6.653 ( 0.392 0.257 1.289) 1.372 6.840 ( 0.879 0.054 1.604) 1.830 6.897 ( -0.379 -0.704 -0.921) 1.220 7.559 ( 0.615 -2.112 -3.310) 3.974 7.631 ( 0.279 7.629 -1.159) 7.721 7.984 ( -2.322 -0.611 1.080) 2.633 8.028 ( 0.873 2.844 0.516) 3.019 8.938 ( 1.087 0.489 -0.305) 1.230 9.121 ( -0.056 1.179 -0.566) 1.309 9.981 ( -0.512 1.271 0.461) 1.446 10.080 ( -0.171 1.060 0.483) 1.177======================= Grid point 250 (110/189) =======================q-point: (-0.23 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.052 ( 1.189 -3.424 -0.232) 3.632 1.100 ( 1.911 -3.743 -0.551) 4.239 1.121 ( -0.043 -1.631 -1.277) 2.072 1.194 ( 0.084 -1.228 -1.025) 1.602 1.333 ( -0.716 -6.493 -0.642) 6.564 1.385 ( -0.303 -3.215 0.561) 3.277 1.416 ( 0.101 -3.654 0.588) 3.703 1.509 ( 1.475 -5.536 -0.758) 5.779 1.712 ( 1.002 0.827 1.200) 1.768 1.752 ( 0.015 -0.639 0.305) 0.708 1.810 ( -2.045 0.987 1.286) 2.610 1.903 ( 0.544 1.939 -3.789) 4.291 2.085 ( -1.288 7.353 3.430) 8.215 2.190 ( 1.986 7.899 -0.353) 8.153 2.626 ( 0.070 -4.873 -1.363) 5.060 2.798 ( -1.337 -4.428 1.615) 4.899 2.915 ( -0.436 -4.496 3.142) 5.502 3.038 ( 0.801 -5.266 -2.986) 6.107 3.979 ( -1.268 -3.057 1.549) 3.654 4.130 ( 5.640 0.201 -2.500) 6.172 4.168 ( 6.095 -1.629 5.876) 8.621 4.408 ( 4.778 6.730 -3.576) 8.994 4.956 ( 1.752 0.352 0.971) 2.034 5.108 ( 4.053 -7.552 -5.137) 9.992 5.657 ( 3.384 -7.950 4.157) 9.588 5.833 ( 2.544 0.258 0.251) 2.570 6.075 ( 1.079 -0.378 2.529) 2.775 6.106 ( -0.150 -1.995 -2.911) 3.532 6.375 ( 0.140 -2.226 1.811) 2.873 6.386 ( -2.930 -3.101 -2.142) 4.774 6.499 ( -0.716 3.341 -0.768) 3.502 6.652 ( -2.202 0.258 -0.276) 2.234 6.810 ( 2.673 4.290 1.873) 5.390 6.892 ( 0.583 1.624 -0.060) 1.726 7.507 ( 0.962 3.903 -3.648) 5.428 7.595 ( 1.578 -1.121 -1.554) 2.482 7.948 ( -2.493 1.691 1.496) 3.363 8.029 ( -0.158 -0.258 2.262) 2.282 8.930 ( 0.543 0.644 -0.317) 0.900 9.097 ( -0.251 1.111 -0.319) 1.183 9.959 ( -0.391 0.838 0.274) 0.965 10.064 ( -0.109 0.633 0.228) 0.682======================= Grid point 251 (111/189) =======================q-point: (-0.15 -0.62 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( -0.136 -0.321 0.385) 0.520 1.133 ( 0.593 -1.556 -1.405) 2.178 1.172 ( 0.047 -2.083 -0.270) 2.101 1.215 ( 0.268 -0.957 -0.446) 1.090 1.430 ( -0.122 -4.095 -0.003) 4.097 1.465 ( 0.747 -1.043 0.325) 1.324 1.496 ( 0.533 -7.358 0.919) 7.435 1.600 ( 0.729 -1.809 -1.582) 2.511 1.678 ( -0.069 2.485 0.742) 2.594 1.726 ( -0.205 2.889 0.824) 3.011 1.758 ( -1.215 3.308 2.095) 4.100 1.853 ( -0.946 0.174 -4.899) 4.993 1.958 ( 0.484 5.039 2.840) 5.804 2.086 ( 0.942 4.246 -0.328) 4.362 2.704 ( 0.620 -3.375 -1.373) 3.696 2.852 ( -0.934 -1.488 0.605) 1.858 2.964 ( -1.789 -0.215 3.413) 3.860 3.117 ( 1.700 -3.032 -2.855) 4.498 4.120 ( -1.475 -7.971 1.206) 8.196 4.240 ( 2.249 -8.089 0.683) 8.424 4.294 ( 4.035 -6.917 4.336) 9.107 4.333 ( 1.520 1.551 -3.512) 4.129 4.980 ( 1.114 -1.319 1.919) 2.581 5.297 ( 4.377 -9.881 -3.836) 11.468 5.828 ( 0.592 0.571 -1.826) 2.003 5.833 ( 4.481 -5.545 3.843) 8.099 6.065 ( -0.858 -0.208 0.780) 1.178 6.184 ( 2.534 -3.363 0.017) 4.211 6.388 ( -3.851 1.848 -0.953) 4.377 6.401 ( -1.115 -0.921 -0.423) 1.507 6.469 ( -2.842 -1.553 0.325) 3.255 6.601 ( -1.859 3.005 -2.336) 4.236 6.744 ( 3.937 4.133 1.251) 5.843 6.860 ( 1.437 1.083 -0.799) 1.969 7.482 ( 1.761 -1.493 -3.334) 4.055 7.610 ( 0.722 -0.225 -0.678) 1.016 7.918 ( -2.620 0.611 2.037) 3.375 8.027 ( -0.289 0.981 2.354) 2.567 8.920 ( 0.103 0.353 -0.363) 0.517 9.077 ( -0.185 0.731 -0.063) 0.756 9.946 ( -0.108 0.460 0.229) 0.525 10.055 ( 0.001 0.329 0.006) 0.329======================= Grid point 252 (112/189) =======================q-point: (-0.08 0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( 0.042 0.472 0.439) 0.646 1.152 ( -0.058 -0.622 -1.402) 1.535 1.203 ( -0.659 -1.030 0.822) 1.474 1.224 ( -0.293 -0.309 -0.315) 0.529 1.438 ( 0.358 3.286 0.321) 3.320 1.494 ( -1.106 -0.166 0.773) 1.359 1.518 ( -1.317 5.958 1.156) 6.210 1.635 ( 1.415 0.894 -2.986) 3.423 1.652 ( -0.314 -2.603 0.245) 2.633 1.700 ( 0.179 1.474 0.444) 1.549 1.713 ( -0.748 -3.093 -0.774) 3.275 1.888 ( 0.765 -4.823 -1.434) 5.089 1.935 ( -0.301 -1.004 2.624) 2.825 2.063 ( 1.750 -2.276 -1.022) 3.048 2.741 ( -0.073 -0.360 -1.040) 1.103 2.847 ( 0.011 1.633 0.452) 1.695 2.925 ( -2.263 4.038 2.885) 5.454 3.135 ( 1.813 1.970 -1.638) 3.139 4.156 ( -2.191 2.840 2.493) 4.368 4.278 ( -2.338 1.013 -2.595) 3.637 4.447 ( -5.410 -10.714 0.432) 12.010 4.524 ( -4.267 -13.889 2.583) 14.757 5.022 ( -0.999 -2.566 1.854) 3.320 5.449 ( -0.853 -4.258 -2.012) 4.786 5.784 ( -1.426 1.900 -4.001) 4.653 5.940 ( 2.230 -1.936 4.161) 5.103 6.063 ( -1.107 1.416 0.068) 1.799 6.240 ( 0.638 -1.425 0.152) 1.568 6.333 ( -2.786 0.523 -1.271) 3.106 6.409 ( -1.114 -0.923 -1.477) 2.068 6.446 ( -2.085 2.199 3.557) 4.673 6.542 ( 1.097 1.975 -2.474) 3.350 6.746 ( 2.339 -2.500 -0.341) 3.441 6.871 ( 1.240 -1.392 -1.748) 2.555 7.547 ( 1.157 -4.741 -2.429) 5.451 7.613 ( -0.163 -0.187 0.122) 0.276 7.900 ( -2.518 0.627 2.279) 3.454 8.012 ( 0.254 1.020 1.636) 1.944 8.920 ( 0.085 -0.441 -0.567) 0.724 9.070 ( 0.265 -0.102 0.083) 0.296 9.940 ( 0.182 0.238 0.279) 0.410 10.051 ( 0.103 0.100 -0.122) 0.189======================= Grid point 259 (113/189) =======================q-point: ( 0.46 0.46 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( 10.135 0.000 -9.425) 13.840 0.760 ( 1.658 0.000 1.337) 2.130 0.966 ( 3.302 0.000 -2.480) 4.130 0.968 ( -2.066 -0.000 -5.388) 5.771 1.029 ( 0.374 0.000 0.929) 1.002 1.131 ( -3.222 -0.000 -0.106) 3.224 1.156 ( -1.937 -0.000 2.341) 3.038 1.189 ( -2.443 -0.000 4.436) 5.064 1.254 ( 2.694 0.000 0.700) 2.783 1.292 ( -0.398 -0.000 1.309) 1.368 1.385 ( -2.610 -0.000 -0.540) 2.665 1.580 ( 0.092 0.000 -0.994) 0.998 1.721 ( 9.559 0.000 -3.209) 10.083 2.039 ( -11.541 -0.000 -9.325) 14.837 2.380 ( 6.259 0.000 9.934) 11.741 2.596 ( -2.042 -0.000 5.806) 6.155 2.851 ( 0.385 0.000 -1.759) 1.800 3.044 ( 0.232 0.000 -2.384) 2.396 3.434 ( 0.606 0.000 6.958) 6.984 3.960 ( 2.948 0.000 -10.579) 10.982 4.784 ( 3.255 0.000 6.202) 7.004 5.227 ( 4.049 0.000 -2.219) 4.617 5.254 ( 3.425 0.000 3.407) 4.831 5.380 ( 3.256 0.000 2.713) 4.238 6.002 ( -1.567 -0.000 0.042) 1.568 6.035 ( -1.908 -0.000 13.516) 13.650 6.149 ( -0.107 -0.000 -0.045) 0.117 6.202 ( -1.281 -0.000 0.362) 1.331 6.284 ( -1.732 -0.000 -0.297) 1.758 6.328 ( 5.532 0.000 0.428) 5.548 6.559 ( -1.016 -0.000 -0.633) 1.196 6.830 ( -0.780 -0.000 0.312) 0.840 6.931 ( 0.413 0.000 1.811) 1.857 7.038 ( -1.961 -0.000 -1.766) 2.639 7.589 ( -2.561 -0.000 -16.232) 16.433 7.897 ( -0.889 -0.000 -3.490) 3.602 8.074 ( 1.682 0.000 6.342) 6.561 8.407 ( 0.270 0.000 -3.725) 3.735 8.961 ( 0.330 0.000 -1.299) 1.340 9.205 ( 0.071 0.000 -0.858) 0.861 10.075 ( 0.071 0.000 2.405) 2.406 10.191 ( -0.065 -0.000 1.073) 1.075======================= Grid point 260 (114/189) =======================q-point: (-0.46 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( 8.549 -2.850 -6.470) 11.093 0.887 ( -0.151 -4.837 -3.716) 6.101 0.928 ( -5.994 -5.719 -1.193) 8.370 1.033 ( 2.277 -2.776 -1.433) 3.865 1.066 ( 0.763 -3.256 0.344) 3.362 1.108 ( -2.180 0.746 -1.563) 2.784 1.189 ( -0.261 -3.133 4.687) 5.644 1.210 ( -2.198 -1.885 2.724) 3.976 1.305 ( -0.696 -6.202 -0.648) 6.275 1.384 ( 0.547 -2.103 -0.876) 2.343 1.447 ( 2.469 -12.332 2.751) 12.874 1.677 ( -0.452 -8.486 0.911) 8.547 1.801 ( 5.877 -4.641 -2.873) 8.021 1.972 ( -8.542 -2.835 -9.581) 13.145 2.419 ( 4.137 1.151 7.309) 8.477 2.595 ( -1.349 0.544 6.076) 6.248 2.805 ( -0.081 3.188 -1.968) 3.747 2.993 ( -0.310 4.121 -2.294) 4.727 3.792 ( 0.871 -29.583 5.695) 30.139 4.156 ( -0.433 -20.408 -9.017) 22.315 4.829 ( 1.253 0.355 8.392) 8.493 5.181 ( -1.779 5.843 -2.851) 6.740 5.220 ( -0.287 5.613 3.436) 6.587 5.385 ( 3.331 4.692 -3.082) 6.527 5.743 ( 0.869 17.119 8.302) 19.046 5.836 ( 0.540 14.926 3.877) 15.431 6.164 ( 0.802 2.548 0.659) 2.751 6.209 ( -0.612 5.380 -0.322) 5.424 6.323 ( 0.453 -3.873 2.516) 4.641 6.387 ( -3.476 -3.104 1.503) 4.897 6.549 ( 3.308 0.542 0.816) 3.450 6.795 ( -1.882 2.751 0.427) 3.361 6.908 ( 0.540 3.361 1.679) 3.796 7.008 ( -2.124 1.153 -3.492) 4.246 7.527 ( -0.991 0.366 -14.092) 14.132 7.893 ( -0.775 -1.160 -3.247) 3.534 8.057 ( 1.308 4.554 5.558) 7.304 8.354 ( 0.172 4.311 -3.568) 5.599 8.957 ( 0.835 0.322 -0.990) 1.334 9.193 ( 0.220 0.944 -0.792) 1.252 10.069 ( -0.336 1.218 2.191) 2.529 10.177 ( -0.136 1.551 0.970) 1.834======================= Grid point 261 (115/189) =======================q-point: (-0.38 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.870 ( 0.918 -4.554 -6.623) 8.090 0.901 ( 0.339 -2.642 -1.727) 3.174 1.016 ( -5.085 -2.777 -1.435) 5.969 1.074 ( -0.517 -0.553 -0.905) 1.180 1.113 ( 0.261 -4.117 -0.129) 4.127 1.138 ( -0.224 -3.048 0.134) 3.059 1.247 ( -1.159 -1.947 3.543) 4.206 1.294 ( 1.700 -4.970 4.335) 6.810 1.430 ( -2.871 -6.467 -3.858) 8.059 1.496 ( 2.674 -9.435 -1.171) 9.876 1.706 ( 1.065 -8.964 2.581) 9.389 1.808 ( 4.527 -2.441 2.617) 5.771 1.943 ( -6.145 -12.553 -6.265) 15.316 2.086 ( 2.542 -13.606 -4.066) 14.426 2.439 ( 0.899 -0.087 4.510) 4.600 2.609 ( -0.541 -0.280 6.658) 6.685 2.741 ( -0.577 2.088 -1.775) 2.800 2.875 ( -0.855 6.636 -3.054) 7.355 4.381 ( 3.953 -23.142 3.915) 23.802 4.546 ( 0.862 -15.488 -2.202) 15.667 4.754 ( 0.072 9.654 10.210) 14.052 4.898 ( -6.327 17.861 -3.173) 19.212 5.109 ( -2.667 7.737 -1.298) 8.286 5.203 ( 4.913 7.194 -6.012) 10.584 5.394 ( 2.317 20.626 0.150) 20.756 5.753 ( 2.827 -1.394 5.865) 6.658 6.105 ( 1.737 3.867 1.788) 4.601 6.154 ( 0.037 0.939 1.067) 1.421 6.330 ( -4.522 0.800 -0.232) 4.598 6.364 ( 0.097 2.839 1.180) 3.076 6.592 ( 3.341 -0.855 3.598) 4.983 6.734 ( -2.046 1.911 1.299) 3.086 6.829 ( 0.118 4.792 1.329) 4.974 6.950 ( -0.285 2.713 -4.407) 5.183 7.490 ( 0.129 -0.734 -9.199) 9.229 7.909 ( -0.645 -1.146 -0.666) 1.474 7.955 ( 0.220 7.166 2.331) 7.539 8.239 ( 0.015 6.303 -2.262) 6.697 8.952 ( 1.016 0.413 -0.853) 1.390 9.170 ( 0.198 1.340 -0.737) 1.542 10.042 ( -0.537 1.776 1.543) 2.414 10.142 ( -0.340 2.080 0.828) 2.264======================= Grid point 262 (116/189) =======================q-point: (-0.31 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.936 ( -1.068 -4.686 -2.694) 5.510 0.942 ( -1.138 -2.056 -1.000) 2.554 1.061 ( 0.613 -3.099 -2.152) 3.823 1.084 ( -1.151 -2.414 -2.295) 3.524 1.169 ( 0.582 -1.879 0.439) 2.015 1.218 ( -2.184 -5.417 0.795) 5.894 1.296 ( -0.468 -2.589 3.350) 4.260 1.367 ( 0.833 -1.791 0.542) 2.049 1.559 ( 0.033 -7.918 -2.835) 8.410 1.639 ( 0.762 -4.826 -1.471) 5.103 1.813 ( 2.263 -1.658 1.348) 3.112 1.868 ( 3.076 -2.293 1.080) 3.986 2.149 ( -1.138 -9.270 -3.160) 9.860 2.364 ( -2.002 -11.403 -1.416) 11.663 2.479 ( 1.655 -4.638 2.048) 5.333 2.592 ( 0.004 5.830 5.770) 8.202 2.724 ( -0.082 -0.807 0.543) 0.976 2.795 ( -1.538 -3.600 -3.241) 5.082 4.393 ( -1.455 18.726 6.025) 19.725 4.454 ( -0.690 16.043 4.605) 16.705 4.571 ( 6.497 15.930 0.229) 17.206 4.783 ( 5.638 -2.755 2.080) 6.611 4.954 ( 2.521 12.313 -10.637) 16.465 5.163 ( 5.452 6.850 -2.866) 9.212 5.242 ( 2.327 -14.729 -0.394) 14.917 5.821 ( 2.912 -1.870 2.408) 4.216 6.073 ( 1.018 1.258 3.163) 3.553 6.130 ( -0.662 1.346 -2.186) 2.651 6.292 ( -4.047 0.007 0.395) 4.067 6.336 ( 1.334 0.740 1.940) 2.468 6.607 ( -0.258 1.394 2.333) 2.730 6.705 ( 2.434 3.042 2.079) 4.416 6.793 ( -1.962 -2.792 0.190) 3.417 6.899 ( 1.703 1.296 -2.279) 3.126 7.504 ( 0.728 -2.503 -4.759) 5.426 7.794 ( -0.206 8.934 1.511) 9.063 7.944 ( -1.058 -2.106 -0.466) 2.403 8.116 ( -0.147 5.586 -0.909) 5.661 8.947 ( 0.669 0.336 -1.037) 1.279 9.142 ( -0.076 1.299 -0.685) 1.470 10.009 ( -0.544 1.721 0.996) 2.061 10.106 ( -0.447 1.642 0.658) 1.825======================= Grid point 263 (117/189) =======================q-point: (-0.23 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.993 ( 1.095 -3.618 -0.776) 3.859 1.028 ( 2.606 -4.922 -0.213) 5.574 1.090 ( -0.076 -1.296 -1.290) 1.830 1.147 ( -0.696 -3.708 -2.609) 4.587 1.219 ( -0.000 -3.696 0.312) 3.709 1.313 ( -1.993 -5.174 1.194) 5.671 1.352 ( 0.541 -2.391 1.444) 2.845 1.419 ( 0.952 -4.008 -1.183) 4.286 1.682 ( -0.515 -5.444 -1.982) 5.817 1.705 ( 0.536 -2.181 -0.025) 2.246 1.829 ( 2.036 1.167 2.036) 3.106 1.920 ( 2.563 -0.449 -1.487) 2.997 2.190 ( -1.234 2.712 0.280) 2.993 2.392 ( 1.621 10.750 1.672) 10.999 2.504 ( -2.036 -6.959 -0.698) 7.285 2.676 ( 0.312 -8.179 -0.272) 8.190 2.814 ( -0.615 -6.330 4.228) 7.636 2.908 ( -0.279 -7.626 -2.377) 7.993 4.077 ( -0.848 12.423 2.660) 12.732 4.227 ( 2.142 8.038 0.471) 8.332 4.332 ( 12.791 11.768 2.303) 17.533 4.626 ( 7.548 13.788 -4.689) 16.403 4.953 ( 5.575 -4.224 -1.888) 7.245 5.072 ( 5.279 3.739 -2.884) 7.083 5.517 ( 4.980 -10.711 1.841) 11.955 5.863 ( 4.650 0.225 1.496) 4.890 6.088 ( -0.360 1.177 -3.543) 3.750 6.089 ( 1.877 -0.737 2.998) 3.613 6.298 ( -2.645 -2.334 0.766) 3.610 6.362 ( 1.381 -1.425 2.221) 2.978 6.560 ( -1.520 3.100 -0.029) 3.453 6.657 ( -0.722 2.232 0.167) 2.351 6.859 ( 0.641 -2.332 0.331) 2.441 6.900 ( 1.831 0.177 0.702) 1.969 7.545 ( 0.366 -1.614 -2.916) 3.352 7.637 ( 1.696 6.908 -0.590) 7.137 7.963 ( -2.843 0.102 1.258) 3.111 8.038 ( 0.409 1.741 0.271) 1.809 8.938 ( -0.181 0.429 -1.485) 1.556 9.115 ( -0.425 1.175 -0.526) 1.356 9.979 ( -0.342 1.335 0.806) 1.596 10.080 ( -0.350 1.027 0.417) 1.162======================= Grid point 264 (118/189) =======================q-point: (-0.15 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.069 ( 1.837 -2.962 0.011) 3.486 1.106 ( -0.409 -1.058 -1.397) 1.799 1.130 ( 3.221 -3.183 -0.368) 4.543 1.187 ( -0.343 -1.832 -0.882) 2.062 1.322 ( -0.617 -6.638 -0.207) 6.670 1.390 ( 0.084 -3.929 1.064) 4.072 1.423 ( 0.721 -3.897 0.696) 4.023 1.517 ( 1.552 -5.443 -1.752) 5.925 1.714 ( -1.128 0.480 -0.934) 1.541 1.753 ( -0.347 -1.833 0.229) 1.880 1.798 ( -1.248 2.849 1.794) 3.591 1.883 ( -0.222 4.162 -3.214) 5.263 2.100 ( 0.283 6.425 3.496) 7.320 2.211 ( 2.038 8.384 -0.250) 8.631 2.621 ( 0.273 -5.391 -0.863) 5.466 2.791 ( -1.143 -4.438 0.802) 4.653 2.928 ( -1.405 -4.118 4.109) 5.984 3.030 ( 1.307 -5.612 -3.261) 6.621 3.986 ( 0.951 -2.366 1.549) 2.984 4.170 ( 5.208 -0.426 -2.174) 5.660 4.302 ( 11.517 1.141 4.096) 12.277 4.433 ( 4.959 8.248 -6.442) 11.581 4.998 ( 3.894 1.279 2.152) 4.630 5.148 ( 8.099 -7.448 -3.339) 11.499 5.735 ( 6.517 -8.241 3.022) 10.932 5.873 ( 4.351 1.810 0.637) 4.755 6.057 ( -0.731 -0.107 -1.603) 1.765 6.152 ( 4.216 -2.202 2.582) 5.412 6.340 ( -2.921 -2.918 -0.779) 4.202 6.394 ( 0.323 -0.410 2.461) 2.516 6.479 ( -1.826 3.654 -0.943) 4.192 6.622 ( -2.769 0.839 -0.172) 2.898 6.853 ( 3.390 3.755 0.765) 5.116 6.895 ( 0.153 1.417 -0.401) 1.481 7.497 ( 1.071 3.164 -3.130) 4.578 7.606 ( 2.009 -0.373 -1.565) 2.574 7.930 ( -2.629 1.265 2.216) 3.663 8.038 ( -0.483 -0.189 1.645) 1.725 8.921 ( -0.985 0.384 -1.869) 2.147 9.090 ( -0.603 0.971 -0.300) 1.182 9.960 ( 0.016 0.859 0.821) 1.188 10.064 ( -0.167 0.597 0.166) 0.642======================= Grid point 265 (119/189) =======================q-point: (-0.08 -0.54 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( -0.422 -0.007 0.339) 0.542 1.131 ( 0.695 -1.442 -1.608) 2.268 1.177 ( 0.786 -1.223 0.385) 1.504 1.213 ( 0.067 -0.976 -0.659) 1.179 1.430 ( 0.073 -4.449 0.178) 4.453 1.478 ( 1.102 -0.403 0.488) 1.271 1.507 ( 0.270 -7.522 0.803) 7.570 1.597 ( 0.408 -1.119 -1.541) 1.947 1.670 ( -0.815 2.583 -1.162) 2.947 1.721 ( -1.243 3.238 0.123) 3.471 1.756 ( -0.984 3.936 1.169) 4.222 1.801 ( -2.258 -1.865 -4.519) 5.385 1.999 ( 2.523 4.856 4.024) 6.792 2.094 ( 0.710 4.537 -0.125) 4.594 2.704 ( 0.779 -3.143 -1.218) 3.459 2.846 ( -0.678 -1.649 0.586) 1.876 2.971 ( -1.295 0.237 4.382) 4.575 3.119 ( 1.648 -3.422 -2.800) 4.718 4.119 ( -0.211 -7.573 1.666) 7.757 4.259 ( 1.648 -5.714 -1.634) 6.167 4.314 ( 0.248 3.862 -5.401) 6.644 4.368 ( 4.650 -1.552 3.752) 6.173 5.009 ( 1.710 0.011 2.197) 2.784 5.332 ( 5.690 -7.345 -2.947) 9.747 5.825 ( 1.148 2.810 -2.006) 3.639 5.920 ( 6.165 -3.989 4.946) 8.854 6.081 ( 1.252 -0.729 2.689) 3.054 6.206 ( 1.528 -1.606 -0.809) 2.360 6.337 ( -3.492 1.288 -1.480) 4.005 6.381 ( -2.240 0.568 0.005) 2.310 6.454 ( -0.625 -1.466 1.785) 2.393 6.581 ( -0.208 2.267 -1.140) 2.546 6.787 ( 2.419 4.242 1.397) 5.079 6.863 ( 0.526 0.846 -2.235) 2.447 7.480 ( 1.796 -1.550 -3.435) 4.175 7.612 ( 0.482 0.034 -1.068) 1.172 7.908 ( -1.838 0.667 3.007) 3.587 8.034 ( -0.947 0.727 1.773) 2.137 8.906 ( -1.144 -0.198 -2.024) 2.334 9.073 ( -0.379 0.404 -0.142) 0.572 9.951 ( 0.302 0.509 0.863) 1.047 10.055 ( 0.008 0.301 -0.003) 0.301======================= Grid point 273 (120/189) =======================q-point: (-0.46 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.760 ( -3.056 -0.000 1.355) 3.343 0.804 ( 9.935 0.000 -4.998) 11.122 0.864 ( -6.980 -0.000 -10.041) 12.229 0.956 ( -2.373 -0.000 -2.090) 3.162 1.038 ( 0.037 0.000 0.526) 0.527 1.133 ( 3.859 0.000 -0.128) 3.861 1.162 ( -1.319 -0.000 3.015) 3.290 1.195 ( -1.114 -0.000 3.996) 4.148 1.269 ( -1.886 -0.000 0.627) 1.987 1.296 ( -0.376 -0.000 1.365) 1.416 1.378 ( 2.477 0.000 0.322) 2.498 1.572 ( -0.222 -0.000 -1.031) 1.055 1.766 ( -6.076 -0.000 -5.118) 7.944 1.902 ( 3.629 0.000 -3.900) 5.327 2.476 ( 2.548 0.000 4.913) 5.535 2.621 ( -0.565 -0.000 7.908) 7.929 2.835 ( -0.761 -0.000 -2.644) 2.751 3.023 ( -1.244 -0.000 -2.506) 2.798 3.479 ( -1.390 -0.000 8.787) 8.897 3.895 ( -1.836 -0.000 -12.007) 12.147 4.823 ( -3.362 -0.000 6.139) 6.999 5.210 ( -4.240 -0.000 -2.561) 4.953 5.280 ( -2.984 -0.000 3.300) 4.449 5.444 ( 4.118 0.000 1.407) 4.352 6.001 ( 1.483 0.000 0.043) 1.484 6.115 ( 0.082 0.000 18.476) 18.476 6.149 ( 0.222 0.000 -0.047) 0.227 6.203 ( 0.992 0.000 0.368) 1.058 6.284 ( 1.984 0.000 -0.303) 2.007 6.330 ( -4.960 -0.000 0.226) 4.965 6.578 ( 4.321 0.000 -0.160) 4.324 6.819 ( -1.254 -0.000 0.521) 1.358 6.947 ( 0.385 0.000 0.872) 0.954 6.987 ( -2.610 -0.000 -4.557) 5.252 7.481 ( -0.137 -0.000 -14.199) 14.200 7.864 ( -0.260 -0.000 -4.460) 4.468 8.128 ( 1.146 0.000 5.356) 5.477 8.383 ( -0.251 -0.000 -4.332) 4.340 8.962 ( 1.047 0.000 -1.069) 1.497 9.202 ( 0.326 0.000 -0.808) 0.872 10.086 ( -0.797 -0.000 2.327) 2.460 10.196 ( -0.145 -0.000 1.072) 1.082======================= Grid point 274 (121/189) =======================q-point: (-0.38 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.780 ( -5.537 -1.031 -9.551) 11.088 0.840 ( 1.173 -5.914 -2.852) 6.670 0.881 ( -2.178 -4.668 0.493) 5.175 1.021 ( -5.257 -6.025 -1.537) 8.143 1.057 ( 1.971 -1.340 0.460) 2.427 1.122 ( 3.048 0.996 0.200) 3.213 1.190 ( -3.324 -4.283 1.131) 5.538 1.212 ( -1.522 -1.483 1.964) 2.893 1.295 ( 0.032 -5.272 3.010) 6.071 1.402 ( 3.186 -2.087 -1.171) 3.985 1.495 ( 2.869 -13.928 0.913) 14.249 1.664 ( -4.969 -8.721 -1.073) 10.094 1.740 ( -5.950 -5.255 -5.307) 9.549 1.958 ( 9.160 -2.175 -0.311) 9.420 2.471 ( -0.171 1.656 2.392) 2.914 2.630 ( 0.049 1.045 7.597) 7.669 2.784 ( -1.296 2.943 -2.447) 4.041 2.967 ( -1.839 4.016 -2.265) 4.963 3.847 ( 2.144 -30.809 7.104) 31.690 4.084 ( -2.065 -22.327 -9.621) 24.399 4.850 ( -6.601 -2.135 7.037) 9.882 5.108 ( -7.381 8.161 -3.094) 11.430 5.218 ( -3.618 4.775 2.707) 6.573 5.384 ( 0.120 7.368 -3.576) 8.191 5.817 ( 5.624 18.366 2.980) 19.438 5.890 ( 2.375 12.377 6.850) 14.344 6.175 ( 0.227 0.844 -0.201) 0.897 6.219 ( 2.767 6.100 0.196) 6.701 6.303 ( -6.995 -0.898 0.087) 7.053 6.382 ( 0.995 -3.987 7.581) 8.623 6.603 ( 4.542 -0.337 0.707) 4.609 6.781 ( -1.188 3.123 0.777) 3.430 6.924 ( 0.992 3.252 1.268) 3.629 6.964 ( -0.799 0.192 -3.830) 3.917 7.450 ( 0.896 -0.667 -11.377) 11.432 7.868 ( 0.040 -1.536 -3.188) 3.539 8.096 ( 0.187 5.148 3.891) 6.456 8.329 ( -0.622 3.882 -3.922) 5.554 8.962 ( 1.016 0.303 -1.177) 1.584 9.192 ( 0.337 0.964 -0.753) 1.269 10.074 ( -1.020 1.255 1.879) 2.479 10.181 ( -0.305 1.682 1.034) 1.998======================= Grid point 275 (122/189) =======================q-point: (-0.31 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.793 ( -4.819 -5.983 -7.130) 10.481 0.898 ( -5.143 -1.101 0.065) 5.260 0.964 ( 1.006 -6.082 -2.747) 6.749 1.053 ( -2.163 -1.336 -0.001) 2.543 1.117 ( 0.006 -3.687 0.796) 3.772 1.144 ( -0.026 -1.506 0.909) 1.759 1.249 ( -1.500 -2.570 2.007) 3.589 1.341 ( 1.730 -6.508 4.086) 7.877 1.379 ( -2.059 -5.685 -2.968) 6.735 1.523 ( 3.400 -7.435 -1.382) 8.291 1.709 ( -1.688 -7.170 -0.370) 7.375 1.826 ( -2.447 -12.859 -6.749) 14.727 1.907 ( 3.201 -8.402 6.078) 10.852 2.105 ( 4.724 -10.897 -2.841) 12.212 2.453 ( -1.557 -0.227 1.642) 2.274 2.646 ( -0.475 -0.731 7.094) 7.147 2.718 ( -1.207 1.842 -2.038) 3.001 2.841 ( -1.848 6.875 -2.959) 7.709 4.454 ( 5.130 -22.234 0.881) 22.835 4.552 ( 3.387 -21.189 -0.507) 21.464 4.765 ( -8.950 9.838 5.038) 14.222 4.819 ( -3.148 13.669 -0.960) 14.060 5.087 ( -0.818 7.698 -1.107) 7.820 5.214 ( 3.820 6.239 -3.244) 8.002 5.468 ( 8.902 21.108 1.044) 22.932 5.807 ( 2.583 -0.427 2.180) 3.407 6.104 ( -1.431 3.607 -0.757) 3.953 6.172 ( 1.188 2.217 0.354) 2.540 6.263 ( -6.301 -0.018 -0.364) 6.312 6.412 ( 3.893 2.953 4.878) 6.904 6.631 ( 0.870 0.325 3.161) 3.295 6.725 ( -1.352 1.295 0.889) 2.073 6.847 ( 1.889 5.451 1.103) 5.874 6.940 ( 2.706 1.842 -1.892) 3.781 7.451 ( 1.411 -1.813 -6.561) 6.951 7.897 ( -0.168 -2.005 -0.966) 2.231 7.968 ( -0.607 8.444 1.875) 8.671 8.219 ( -1.045 5.646 -2.506) 6.265 8.954 ( 0.522 0.502 -1.481) 1.649 9.167 ( 0.084 1.459 -0.701) 1.621 10.043 ( -0.868 1.776 1.314) 2.374 10.142 ( -0.629 2.184 0.838) 2.422======================= Grid point 276 (123/189) =======================q-point: (-0.23 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.890 ( -2.860 -7.143 -3.715) 8.545 0.928 ( -1.301 -4.962 0.459) 5.151 1.057 ( -0.311 -4.006 -2.210) 4.586 1.070 ( 0.959 -1.052 -0.027) 1.424 1.180 ( 0.777 -1.898 0.244) 2.066 1.202 ( -1.815 -5.031 1.190) 5.479 1.306 ( -0.876 -3.444 2.314) 4.241 1.376 ( 1.038 -0.573 -0.383) 1.246 1.547 ( 0.210 -8.268 -1.413) 8.391 1.640 ( 0.733 -4.470 -1.015) 4.642 1.839 ( 2.279 -4.435 -0.377) 5.000 1.928 ( 5.628 -0.317 1.057) 5.735 2.113 ( -2.717 -9.473 -1.423) 9.958 2.332 ( -2.196 -9.850 -0.998) 10.141 2.506 ( 1.498 -4.866 0.548) 5.121 2.622 ( 0.103 7.019 3.956) 8.058 2.724 ( -1.110 -2.874 1.668) 3.504 2.759 ( -1.229 -4.770 -3.206) 5.877 4.384 ( -3.898 17.429 2.110) 17.984 4.457 ( -0.528 14.403 0.241) 14.414 4.664 ( 7.516 12.117 1.176) 14.307 4.866 ( 7.175 -8.486 -0.387) 11.119 4.963 ( 8.366 15.370 -3.758) 17.898 5.212 ( 6.785 5.525 -4.425) 9.805 5.310 ( 8.948 -11.577 3.326) 15.005 5.880 ( 5.311 -2.680 1.669) 6.178 6.059 ( -2.725 -0.531 -1.930) 3.381 6.126 ( 1.056 2.600 -0.565) 2.862 6.252 ( -4.064 -1.937 -0.086) 4.503 6.391 ( 3.986 2.279 5.592) 7.236 6.603 ( -1.520 2.876 0.834) 3.358 6.729 ( 0.127 1.767 -0.164) 1.779 6.776 ( -0.904 -1.103 0.796) 1.633 6.931 ( 4.892 0.825 0.082) 4.961 7.494 ( 1.614 -2.906 -2.535) 4.181 7.799 ( -0.331 8.793 0.976) 8.853 7.932 ( -1.029 -1.767 0.451) 2.093 8.103 ( -1.089 4.806 -1.456) 5.138 8.939 ( -0.482 0.564 -2.035) 2.166 9.136 ( -0.367 1.431 -0.598) 1.593 10.009 ( -0.534 1.660 1.023) 2.022 10.103 ( -0.676 1.599 0.575) 1.829======================= Grid point 277 (124/189) =======================q-point: (-0.15 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( 1.439 -5.568 -0.278) 5.758 1.045 ( 0.869 -5.472 -0.746) 5.591 1.099 ( 2.550 -1.617 0.069) 3.020 1.123 ( -1.249 -3.918 -1.632) 4.424 1.224 ( 0.469 -2.812 0.270) 2.864 1.299 ( -1.858 -5.680 1.151) 6.086 1.370 ( 1.062 -2.405 1.433) 2.994 1.421 ( 1.226 -4.348 -1.738) 4.841 1.661 ( -0.638 -4.137 -2.441) 4.846 1.706 ( -0.811 -2.639 0.767) 2.865 1.868 ( 2.739 2.286 1.396) 3.831 1.942 ( 3.312 2.166 -1.633) 4.281 2.180 ( -1.088 0.316 1.015) 1.522 2.404 ( -0.577 8.943 -0.845) 9.002 2.495 ( 0.534 -6.592 1.600) 6.804 2.675 ( -0.116 -6.908 -0.578) 6.933 2.823 ( -2.087 -6.289 3.839) 7.658 2.894 ( 0.460 -8.342 -2.630) 8.759 4.089 ( 0.662 11.179 1.637) 11.317 4.257 ( 3.689 6.892 -1.279) 7.921 4.490 ( 13.605 9.526 0.383) 16.613 4.671 ( 7.264 15.202 -6.056) 17.904 5.049 ( 10.145 -3.789 3.592) 11.410 5.128 ( 7.844 3.994 -3.010) 9.303 5.601 ( 8.100 -10.781 1.622) 13.582 5.935 ( 6.088 0.781 2.503) 6.628 6.048 ( -0.515 0.413 -5.727) 5.765 6.138 ( 3.299 -2.676 2.724) 5.046 6.281 ( -2.156 -2.225 1.159) 3.308 6.410 ( 3.262 0.182 4.933) 5.917 6.535 ( -2.350 2.921 -0.533) 3.786 6.639 ( -2.036 4.053 -0.743) 4.596 6.858 ( -0.275 -4.055 -0.390) 4.083 6.938 ( 3.566 1.744 0.464) 3.997 7.535 ( 0.472 -0.324 -1.608) 1.707 7.657 ( 2.086 5.690 -0.387) 6.072 7.941 ( -2.686 0.438 1.802) 3.264 8.039 ( -0.368 0.857 -0.134) 0.942 8.915 ( -1.581 0.565 -2.507) 3.018 9.106 ( -0.781 1.202 -0.386) 1.485 9.983 ( -0.105 1.208 0.988) 1.564 10.078 ( -0.452 0.936 0.279) 1.076======================= Grid point 278 (125/189) =======================q-point: (-0.08 -0.46 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( -0.468 -1.389 0.488) 1.544 1.098 ( 1.860 -1.967 -1.692) 3.192 1.168 ( 3.417 -1.562 0.047) 3.758 1.176 ( -0.698 -2.820 -0.460) 2.941 1.317 ( -0.336 -6.567 0.180) 6.578 1.396 ( -0.395 -4.937 1.139) 5.082 1.443 ( 2.029 -3.718 0.962) 4.344 1.523 ( 1.763 -5.321 -2.115) 5.991 1.680 ( -2.423 -0.293 -3.102) 3.947 1.743 ( -1.970 -1.407 0.788) 2.546 1.807 ( 0.365 5.182 1.820) 5.504 1.863 ( -0.299 5.874 -2.100) 6.246 2.130 ( 1.340 5.134 2.978) 6.084 2.226 ( 1.042 8.631 -0.758) 8.727 2.624 ( 0.916 -5.566 -0.180) 5.643 2.783 ( -1.147 -4.654 0.546) 4.824 2.934 ( -1.955 -4.615 3.939) 6.375 3.027 ( 1.467 -5.916 -3.066) 6.823 4.017 ( 2.674 -1.896 1.833) 3.756 4.217 ( 5.767 0.090 -2.612) 6.332 4.438 ( 5.078 9.077 -7.883) 13.051 4.459 ( 11.277 4.666 4.151) 12.891 5.059 ( 4.793 3.032 1.675) 5.914 5.242 ( 10.788 -5.991 -0.565) 12.353 5.821 ( 6.833 -6.591 0.025) 9.494 5.936 ( 5.436 2.338 1.363) 6.073 6.057 ( 2.274 -2.726 -0.355) 3.567 6.205 ( 2.763 -0.457 1.308) 3.091 6.312 ( -1.954 -1.565 0.271) 2.518 6.417 ( 0.653 1.641 3.553) 3.968 6.453 ( -1.695 3.369 -0.460) 3.799 6.593 ( -2.113 -0.182 -0.090) 2.122 6.883 ( 0.601 0.978 -2.447) 2.703 6.893 ( 1.414 4.411 0.676) 4.681 7.495 ( 1.422 2.607 -2.003) 3.582 7.616 ( 1.583 0.669 -1.701) 2.418 7.921 ( -1.687 0.638 2.990) 3.492 8.037 ( -1.298 -0.150 1.035) 1.667 8.890 ( -2.026 0.162 -2.532) 3.247 9.080 ( -0.887 0.818 -0.186) 1.221 9.968 ( 0.231 0.768 0.963) 1.254 10.063 ( -0.174 0.510 0.048) 0.541======================= Grid point 287 (126/189) =======================q-point: (-0.38 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( -9.657 -0.000 -13.762) 16.812 0.715 ( -6.621 -0.000 1.621) 6.817 0.883 ( 6.666 0.000 -1.368) 6.805 0.892 ( -6.468 -0.000 -1.784) 6.710 1.054 ( 2.446 0.000 0.234) 2.457 1.123 ( -6.584 -0.000 -0.564) 6.608 1.187 ( 5.451 0.000 -0.495) 5.474 1.211 ( -2.362 -0.000 0.625) 2.443 1.251 ( -2.070 -0.000 3.636) 4.184 1.299 ( -0.503 -0.000 1.287) 1.381 1.405 ( 1.566 0.000 -0.964) 1.839 1.564 ( -0.370 -0.000 -0.709) 0.800 1.629 ( -5.263 -0.000 -4.651) 7.024 2.009 ( 10.591 0.000 3.355) 11.110 2.495 ( -1.477 -0.000 0.227) 1.495 2.679 ( 1.335 0.000 8.656) 8.759 2.804 ( -1.498 -0.000 -3.486) 3.794 2.987 ( -2.799 -0.000 -1.931) 3.401 3.505 ( -4.168 -0.000 9.638) 10.501 3.785 ( -4.542 -0.000 -11.805) 12.649 4.779 ( -10.413 -0.000 4.277) 11.258 5.116 ( -9.689 -0.000 -1.902) 9.874 5.233 ( -7.536 -0.000 0.908) 7.590 5.448 ( -2.907 -0.000 -2.894) 4.102 6.031 ( 3.609 0.000 0.249) 3.618 6.157 ( 1.545 0.000 -0.170) 1.555 6.212 ( -7.922 -0.000 5.533) 9.663 6.224 ( 2.348 0.000 0.199) 2.356 6.300 ( 2.886 0.000 14.925) 15.201 6.318 ( 4.086 0.000 -0.205) 4.091 6.627 ( 4.456 0.000 -0.580) 4.493 6.814 ( -0.120 -0.000 0.478) 0.493 6.930 ( -0.240 -0.000 -1.600) 1.618 6.975 ( 1.641 0.000 -0.321) 1.672 7.411 ( 0.986 0.000 -11.147) 11.191 7.843 ( 0.824 0.000 -3.123) 3.229 8.157 ( -0.594 -0.000 2.911) 2.971 8.348 ( -1.148 -0.000 -4.637) 4.777 8.967 ( 1.003 0.000 -1.413) 1.733 9.202 ( 0.458 0.000 -0.750) 0.878 10.085 ( -1.528 -0.000 1.632) 2.236 10.201 ( -0.105 -0.000 1.241) 1.246======================= Grid point 288 (127/189) =======================q-point: (-0.31 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.631 ( -8.739 -3.950 -12.150) 15.478 0.776 ( -9.263 -6.851 0.408) 11.529 0.897 ( 0.940 -1.655 -0.574) 1.988 0.962 ( -2.870 -6.547 -0.125) 7.149 1.080 ( -0.263 -1.159 0.492) 1.286 1.133 ( -4.239 -4.350 -0.143) 6.075 1.150 ( 0.394 -0.816 0.240) 0.937 1.205 ( -1.191 -2.122 0.487) 2.482 1.338 ( 2.298 -4.702 4.453) 6.871 1.421 ( 0.624 -3.044 -3.285) 4.522 1.479 ( -2.964 -14.079 -2.798) 14.657 1.584 ( -1.172 -3.594 -1.801) 4.187 1.729 ( 2.160 -11.095 0.605) 11.320 2.074 ( 9.048 -0.104 3.359) 9.652 2.452 ( -3.331 1.578 -1.240) 3.889 2.679 ( 0.592 2.246 6.434) 6.840 2.751 ( -1.935 2.434 -2.370) 3.910 2.928 ( -3.208 3.845 -1.520) 5.233 3.926 ( 4.584 -34.266 6.773) 35.228 4.005 ( -1.997 -26.347 -8.144) 27.649 4.772 ( -12.503 -2.882 3.043) 13.187 4.996 ( -9.985 6.806 -1.752) 12.210 5.175 ( -6.317 2.123 1.474) 6.825 5.343 ( -3.698 6.378 -3.717) 8.256 5.888 ( 5.062 13.875 0.201) 14.771 5.947 ( 2.067 15.102 2.871) 15.511 6.174 ( 0.532 2.630 -1.172) 2.928 6.208 ( -7.574 -0.520 -0.393) 7.601 6.261 ( 3.266 5.574 0.215) 6.464 6.473 ( 4.561 -2.070 8.883) 10.198 6.653 ( 3.571 -0.483 1.482) 3.896 6.779 ( -0.171 3.491 1.854) 3.956 6.949 ( 1.714 3.414 -0.218) 3.826 6.962 ( 3.795 -1.287 0.858) 4.098 7.405 ( 1.668 -1.708 -8.186) 8.528 7.860 ( 1.007 -1.639 -1.112) 2.222 8.105 ( -1.498 5.347 1.338) 5.712 8.292 ( -1.767 3.492 -3.847) 5.488 8.963 ( 0.639 0.462 -1.617) 1.799 9.191 ( 0.336 1.069 -0.678) 1.310 10.069 ( -1.568 1.083 1.108) 2.204 10.184 ( -0.355 1.977 1.148) 2.313======================= Grid point 289 (128/189) =======================q-point: (-0.23 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.690 ( -5.880 -8.960 -7.216) 12.920 0.814 ( -8.467 -4.814 0.908) 9.782 0.975 ( 1.066 -4.145 -1.921) 4.691 1.044 ( 0.706 -2.880 1.042) 3.144 1.115 ( -1.890 -3.486 1.367) 4.195 1.151 ( 0.507 -1.100 1.011) 1.578 1.237 ( -2.698 -3.933 1.357) 4.959 1.339 ( -0.051 -9.959 -2.893) 10.370 1.395 ( 1.811 -1.276 4.185) 4.735 1.547 ( 2.690 -6.014 -2.001) 6.885 1.663 ( -4.270 -12.425 -2.335) 13.344 1.789 ( 1.057 -14.136 -2.701) 14.431 1.965 ( 0.853 -8.529 3.317) 9.191 2.156 ( 6.416 -5.064 -0.728) 8.206 2.431 ( -2.900 -2.212 -0.504) 3.682 2.675 ( -0.751 -0.879 3.459) 3.647 2.697 ( -0.914 1.554 -0.267) 1.823 2.803 ( -2.416 6.760 -1.534) 7.340 4.472 ( 1.219 -18.754 -4.427) 19.308 4.636 ( 5.168 -15.897 4.571) 17.329 4.676 ( -2.584 1.939 -4.236) 5.327 4.787 ( -4.975 4.996 3.757) 7.989 5.071 ( -0.076 5.003 -2.276) 5.497 5.251 ( 3.096 0.792 1.487) 3.525 5.577 ( 9.192 20.099 0.909) 22.120 5.838 ( 2.857 -1.436 -1.196) 3.414 6.089 ( 0.332 4.445 -1.386) 4.668 6.163 ( -4.168 0.907 -0.145) 4.268 6.205 ( -1.377 1.291 -1.275) 2.278 6.482 ( 3.821 3.208 3.119) 5.884 6.660 ( 0.874 2.423 0.442) 2.613 6.723 ( -0.663 2.151 6.044) 6.450 6.870 ( 1.475 5.509 -0.131) 5.704 6.988 ( 6.321 1.589 -0.265) 6.523 7.443 ( 2.492 -2.803 -2.582) 4.553 7.897 ( 0.146 -1.502 0.978) 1.799 7.963 ( -1.497 8.042 0.274) 8.185 8.185 ( -2.346 5.098 -2.593) 6.182 8.945 ( -0.235 0.914 -1.927) 2.146 9.163 ( -0.061 1.665 -0.581) 1.764 10.039 ( -1.168 1.473 0.746) 2.023 10.139 ( -0.815 2.368 0.815) 2.633======================= Grid point 290 (129/189) =======================q-point: (-0.15 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.840 ( -2.951 -10.257 -1.737) 10.813 0.921 ( -0.630 -7.832 0.768) 7.895 1.040 ( -0.402 -3.746 -1.517) 4.061 1.087 ( 1.711 -1.087 0.210) 2.038 1.189 ( 0.725 -2.035 0.049) 2.161 1.193 ( -1.357 -4.413 1.660) 4.906 1.306 ( -0.903 -4.356 1.255) 4.623 1.388 ( 1.935 -0.334 -1.078) 2.241 1.548 ( 0.374 -7.685 0.631) 7.720 1.638 ( -0.023 -3.925 -1.233) 4.115 1.863 ( 2.634 -6.201 -0.550) 6.760 1.982 ( 3.912 -3.422 -2.537) 5.784 2.081 ( -2.774 -6.429 2.564) 7.457 2.308 ( -1.633 -8.286 -0.278) 8.450 2.518 ( 1.112 -4.928 -1.102) 5.170 2.639 ( -0.044 6.214 1.266) 6.342 2.718 ( -0.977 -3.944 -0.877) 4.156 2.737 ( -0.922 -5.081 1.048) 5.270 4.351 ( -2.919 13.651 -0.211) 13.961 4.447 ( -0.300 12.088 -1.602) 12.198 4.735 ( 5.960 8.725 -1.397) 10.659 4.930 ( 5.948 -3.369 -0.827) 6.886 5.076 ( 11.013 5.373 1.957) 12.409 5.263 ( 7.542 4.151 -3.797) 9.409 5.457 ( 12.199 -6.613 4.205) 14.500 5.948 ( 6.026 -5.481 -1.226) 8.238 6.028 ( 0.540 1.630 -2.024) 2.655 6.138 ( 0.893 0.695 0.659) 1.310 6.201 ( -4.348 -3.492 -0.690) 5.619 6.471 ( 4.307 1.329 5.044) 6.765 6.586 ( -1.285 4.016 -1.738) 4.560 6.722 ( -0.766 2.545 0.477) 2.700 6.783 ( -0.160 0.641 3.069) 3.140 6.987 ( 5.363 1.357 -1.883) 5.844 7.509 ( 2.265 -2.398 0.217) 3.306 7.797 ( -1.077 7.663 0.668) 7.767 7.929 ( -0.639 -0.778 1.767) 2.033 8.076 ( -1.981 3.741 -1.840) 4.616 8.915 ( -1.361 1.081 -2.209) 2.811 9.127 ( -0.581 1.623 -0.381) 1.766 10.008 ( -0.593 1.321 0.648) 1.586 10.098 ( -0.810 1.543 0.419) 1.792======================= Grid point 291 (130/189) =======================q-point: (-0.08 -0.38 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.013 ( -0.546 -7.491 1.079) 7.588 1.055 ( 2.210 -4.484 -0.654) 5.042 1.099 ( -1.419 -3.008 -0.408) 3.351 1.136 ( 3.199 -3.364 0.069) 4.643 1.231 ( 0.565 -2.392 0.164) 2.463 1.286 ( -1.667 -5.883 1.189) 6.229 1.392 ( 1.408 -3.685 1.092) 4.093 1.428 ( 2.222 -3.893 -1.979) 4.900 1.637 ( -1.216 -2.000 -2.395) 3.349 1.699 ( -1.428 -2.947 1.206) 3.490 1.902 ( 2.199 2.492 1.039) 3.482 1.969 ( 3.184 4.895 -1.654) 6.069 2.182 ( 0.067 -2.276 1.462) 2.706 2.373 ( -2.738 3.960 -2.057) 5.235 2.530 ( 2.707 -2.721 2.782) 4.741 2.666 ( -0.760 -6.025 -0.824) 6.129 2.819 ( -2.510 -6.279 3.317) 7.532 2.883 ( 0.574 -8.837 -3.121) 9.390 4.110 ( 1.640 9.192 1.188) 9.412 4.290 ( 4.210 4.973 -2.036) 6.826 4.618 ( 11.441 7.050 -3.865) 13.983 4.732 ( 7.675 16.075 0.097) 17.814 5.184 ( 7.861 4.299 3.051) 9.465 5.214 ( 12.085 -2.954 -0.976) 12.479 5.699 ( 7.926 -9.558 0.782) 12.441 6.008 ( 2.849 1.127 -5.952) 6.694 6.025 ( 4.200 -0.935 2.548) 5.001 6.198 ( 4.806 -3.380 2.104) 6.241 6.257 ( -3.172 -3.510 0.302) 4.740 6.472 ( 2.710 3.117 0.328) 4.144 6.524 ( 0.676 1.603 4.726) 5.036 6.606 ( -2.828 5.177 -1.153) 6.010 6.849 ( -1.108 -3.573 -0.692) 3.804 6.972 ( 3.200 2.440 -1.895) 4.448 7.538 ( 0.896 0.645 0.177) 1.118 7.672 ( 0.933 4.965 -0.491) 5.075 7.931 ( -1.484 0.412 2.668) 3.081 8.028 ( -1.230 0.214 -0.503) 1.346 8.880 ( -2.075 0.820 -2.000) 2.997 9.094 ( -0.982 1.272 -0.115) 1.611 9.987 ( -0.122 0.931 0.571) 1.099 10.073 ( -0.476 0.795 0.073) 0.930======================= Grid point 301 (131/189) =======================q-point: (-0.31 -0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.485 ( -11.752 -0.000 -16.434) 20.203 0.638 ( -9.329 -0.000 2.124) 9.568 0.802 ( -7.720 -0.000 -1.864) 7.942 0.924 ( -1.584 -0.000 1.505) 2.185 1.029 ( -10.993 -0.000 -0.654) 11.012 1.087 ( 3.107 0.000 0.067) 3.108 1.099 ( -7.824 -0.000 -3.314) 8.497 1.237 ( 4.310 0.000 -1.093) 4.446 1.296 ( 4.288 0.000 2.326) 4.878 1.303 ( -0.001 -0.000 1.392) 1.392 1.428 ( 2.751 0.000 1.921) 3.356 1.557 ( -0.381 -0.000 -0.216) 0.438 1.614 ( 3.528 0.000 -2.330) 4.228 2.144 ( 8.588 0.000 5.853) 10.393 2.458 ( -3.179 -0.000 -3.458) 4.697 2.738 ( -0.281 -0.000 6.627) 6.633 2.765 ( -0.544 -0.000 -4.043) 4.080 2.941 ( -4.002 -0.000 -0.353) 4.018 3.500 ( -7.294 -0.000 9.239) 11.772 3.664 ( -4.885 -0.000 -10.513) 11.593 4.656 ( -14.967 -0.000 2.209) 15.130 4.989 ( -11.441 -0.000 -0.895) 11.476 5.131 ( -10.089 -0.000 -2.222) 10.331 5.361 ( -8.400 -0.000 -3.307) 9.028 6.078 ( 4.482 0.000 0.319) 4.494 6.095 ( -12.296 -0.000 -0.480) 12.305 6.181 ( 3.041 0.000 -0.266) 3.052 6.253 ( 2.566 0.000 0.159) 2.571 6.362 ( 3.862 0.000 -0.155) 3.865 6.455 ( 5.841 0.000 11.800) 13.167 6.657 ( 2.931 0.000 -4.237) 5.152 6.831 ( 0.455 0.000 5.206) 5.226 6.958 ( 5.659 0.000 -1.682) 5.903 6.998 ( 2.485 0.000 1.682) 3.000 7.368 ( 1.346 0.000 -5.858) 6.011 7.848 ( 1.839 0.000 -0.049) 1.840 8.149 ( -2.390 -0.000 -0.264) 2.404 8.303 ( -2.448 -0.000 -3.660) 4.403 8.967 ( 0.700 0.000 -1.621) 1.766 9.203 ( 0.459 0.000 -0.595) 0.751 10.072 ( -2.082 -0.000 0.553) 2.154 10.209 ( 0.090 0.000 1.361) 1.364======================= Grid point 302 (132/189) =======================q-point: (-0.23 -0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.452 ( -9.671 -7.973 -12.446) 17.664 0.663 ( -12.209 -5.023 1.880) 13.335 0.865 ( -3.867 -8.237 -1.548) 9.230 0.959 ( -3.175 -6.322 3.528) 7.905 1.019 ( -7.633 -4.387 -0.596) 8.824 1.111 ( -1.953 -3.521 0.180) 4.030 1.158 ( 1.802 -4.287 0.335) 4.663 1.200 ( 1.376 -0.204 -1.112) 1.781 1.369 ( -0.071 -7.167 -0.675) 7.199 1.404 ( 1.627 -2.062 3.681) 4.522 1.481 ( 2.673 -4.993 -1.705) 5.915 1.580 ( 1.073 -5.744 -1.552) 6.046 1.759 ( 2.488 -11.326 -0.276) 11.600 2.178 ( 4.790 1.352 4.245) 6.542 2.394 ( -3.477 0.981 -4.346) 5.652 2.709 ( 0.285 3.387 -0.270) 3.410 2.718 ( -2.481 1.430 1.229) 3.116 2.884 ( -3.815 3.570 0.569) 5.255 3.932 ( -0.692 -28.775 -7.127) 29.653 4.059 ( 11.190 -42.903 6.330) 44.788 4.633 ( -13.603 -3.619 -0.056) 14.077 4.877 ( -10.263 4.559 -0.361) 11.235 5.103 ( -7.590 -1.815 0.458) 7.818 5.261 ( -7.378 3.102 -2.608) 8.417 5.913 ( -1.486 9.857 -0.811) 10.001 5.971 ( 2.069 14.302 -0.833) 14.474 6.136 ( -1.995 0.006 -1.124) 2.290 6.192 ( 1.802 5.425 -0.124) 5.718 6.300 ( 3.377 6.277 0.089) 7.128 6.560 ( 4.142 0.609 4.142) 5.889 6.679 ( 2.322 -1.158 -5.211) 5.821 6.816 ( 0.097 3.457 10.104) 10.680 6.961 ( 1.637 2.855 -1.446) 3.595 7.032 ( 6.908 -0.885 -2.527) 7.409 7.399 ( 3.187 -2.670 -0.113) 4.160 7.878 ( 1.854 -1.383 2.144) 3.154 8.079 ( -3.002 5.084 -1.572) 6.110 8.245 ( -3.204 3.327 -2.141) 5.091 8.958 ( 0.274 0.795 -1.528) 1.744 9.191 ( 0.282 1.232 -0.470) 1.348 10.053 ( -2.014 0.759 0.112) 2.156 10.187 ( -0.401 2.460 1.152) 2.746======================= Grid point 303 (133/189) =======================q-point: (-0.15 -0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( -5.305 -12.352 -3.712) 13.946 0.743 ( -5.923 -8.971 2.272) 10.987 0.961 ( -0.760 -3.945 -1.766) 4.388 1.066 ( 0.544 -2.812 -0.282) 2.878 1.103 ( -1.552 -5.877 3.822) 7.181 1.158 ( -0.948 -1.745 0.277) 2.005 1.217 ( -1.035 -4.431 0.995) 4.658 1.332 ( 1.567 -7.979 -2.608) 8.540 1.441 ( 1.843 -1.583 4.314) 4.951 1.556 ( 1.367 -5.277 -2.337) 5.931 1.608 ( -3.723 -15.755 -1.009) 16.220 1.800 ( 2.222 -12.856 -0.615) 13.061 1.969 ( -1.208 -8.252 0.177) 8.342 2.223 ( 5.373 -2.595 0.447) 5.984 2.387 ( -3.158 -4.360 -2.697) 6.022 2.673 ( 0.385 0.443 -1.712) 1.810 2.687 ( -2.002 0.389 0.292) 2.060 2.780 ( -1.874 5.432 2.237) 6.166 4.445 ( -1.691 -10.357 -3.538) 11.075 4.586 ( -2.731 -3.247 -3.850) 5.730 4.741 ( -1.907 -0.337 4.485) 4.885 4.798 ( 8.651 -14.360 0.452) 16.770 5.064 ( 1.964 -1.299 -3.101) 3.894 5.287 ( 0.580 -7.132 3.756) 8.081 5.667 ( 5.723 15.022 0.643) 16.088 5.867 ( 5.815 -2.080 -3.499) 7.098 6.096 ( 2.082 4.025 -0.901) 4.620 6.108 ( -3.715 0.295 -0.346) 3.743 6.209 ( 2.120 4.207 -0.937) 4.803 6.537 ( 3.357 3.214 2.568) 5.309 6.642 ( -0.003 3.105 -5.702) 6.493 6.785 ( 0.694 3.254 10.010) 10.548 6.879 ( 0.254 5.667 0.126) 5.674 7.040 ( 5.437 1.828 -6.107) 8.378 7.481 ( 3.981 -2.625 3.379) 5.845 7.904 ( -1.836 2.045 2.017) 3.409 7.947 ( -0.377 4.313 0.131) 4.331 8.139 ( -3.504 4.821 -1.411) 6.125 8.930 ( -0.564 1.518 -1.352) 2.110 9.159 ( -0.135 1.909 -0.320) 1.941 10.026 ( -1.438 0.949 -0.036) 1.723 10.134 ( -1.011 2.568 0.685) 2.844======================= Grid point 304 (134/189) =======================q-point: (-0.08 -0.31 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( -2.282 -12.311 1.777) 12.646 0.925 ( 0.459 -9.741 0.871) 9.790 1.032 ( 0.375 -4.078 -1.098) 4.240 1.106 ( 1.345 -1.500 0.055) 2.015 1.191 ( -1.083 -3.338 2.282) 4.186 1.196 ( 0.237 -2.364 0.223) 2.387 1.303 ( -0.288 -5.037 -0.089) 5.046 1.404 ( 2.634 -0.961 -2.204) 3.567 1.561 ( 0.084 -6.236 2.849) 6.856 1.624 ( -1.035 -3.451 -1.441) 3.881 1.886 ( 1.900 -9.709 -0.796) 9.926 1.974 ( -0.364 -5.258 -3.508) 6.331 2.100 ( 1.418 -4.883 4.686) 6.914 2.288 ( -2.229 -4.924 0.157) 5.408 2.521 ( 1.481 -6.388 -2.174) 6.908 2.639 ( -0.336 3.547 -0.112) 3.565 2.691 ( -0.763 -4.859 -4.271) 6.514 2.748 ( -0.521 -2.524 4.009) 4.766 4.320 ( -1.909 9.965 -0.887) 10.185 4.437 ( 0.574 9.919 -1.867) 10.110 4.789 ( 5.418 6.348 -0.889) 8.393 4.989 ( 4.210 -1.749 1.924) 4.948 5.196 ( 9.018 -3.897 0.051) 9.824 5.337 ( 8.613 5.526 -0.742) 10.260 5.594 ( 7.833 -4.493 2.891) 9.482 5.980 ( 5.536 -3.409 -7.706) 10.083 6.061 ( 4.001 0.737 2.404) 4.725 6.128 ( -3.175 -4.552 -0.936) 5.629 6.186 ( 2.453 -1.388 1.161) 3.048 6.548 ( 3.328 -1.611 4.537) 5.853 6.555 ( 0.571 4.135 -4.386) 6.055 6.714 ( -0.965 6.735 -0.523) 6.823 6.806 ( -0.679 1.096 4.845) 5.014 7.014 ( 3.913 1.405 -5.709) 7.062 7.543 ( 2.290 -0.914 2.224) 3.320 7.781 ( -2.391 6.098 0.582) 6.576 7.943 ( 0.358 0.414 3.292) 3.337 8.040 ( -2.564 2.644 -1.485) 3.971 8.890 ( -1.267 1.653 -0.815) 2.236 9.119 ( -0.603 1.852 -0.025) 1.948 10.003 ( -0.751 0.842 -0.153) 1.139 10.091 ( -0.853 1.458 0.189) 1.700======================= Grid point 315 (135/189) =======================q-point: (-0.23 -0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.250 ( -13.003 -0.000 -14.242) 19.285 0.536 ( -12.213 -0.000 2.994) 12.575 0.706 ( -7.304 -0.000 -2.284) 7.652 0.775 ( -22.136 -0.000 2.692) 22.299 0.951 ( -3.727 -0.000 -1.201) 3.916 1.090 ( 3.779 0.000 2.577) 4.574 1.120 ( 2.810 0.000 0.006) 2.810 1.260 ( 1.301 0.000 -1.294) 1.835 1.322 ( 2.034 0.000 1.234) 2.379 1.356 ( 4.997 0.000 0.180) 5.000 1.478 ( 2.878 0.000 3.678) 4.671 1.553 ( -0.358 -0.000 0.144) 0.386 1.635 ( 3.085 0.000 -4.414) 5.386 2.261 ( 5.120 0.000 7.043) 8.708 2.390 ( -2.016 -0.000 -8.065) 8.313 2.711 ( -2.801 -0.000 -2.752) 3.926 2.776 ( -0.084 -0.000 1.222) 1.225 2.903 ( -4.129 -0.000 2.927) 5.061 3.456 ( -9.820 -0.000 7.243) 12.202 3.562 ( -3.055 -0.000 -8.145) 8.700 4.494 ( -15.918 -0.000 1.133) 15.959 4.864 ( -10.468 -0.000 -0.248) 10.471 5.001 ( -9.980 -0.000 -2.534) 10.296 5.245 ( -9.813 -0.000 -0.877) 9.852 5.958 ( -11.610 -0.000 -1.021) 11.655 6.128 ( 4.462 0.000 -0.207) 4.467 6.221 ( 4.237 0.000 0.183) 4.241 6.279 ( 1.695 0.000 0.177) 1.704 6.395 ( 2.303 0.000 -0.174) 2.310 6.562 ( 6.877 0.000 0.932) 6.939 6.634 ( 1.715 0.000 -10.560) 10.699 6.879 ( -0.918 -0.000 10.246) 10.287 6.972 ( 2.229 0.000 -9.272) 9.537 7.033 ( 2.055 0.000 -4.302) 4.768 7.407 ( 5.440 0.000 8.681) 10.245 7.885 ( 2.973 0.000 3.553) 4.632 8.102 ( -3.736 -0.000 -4.313) 5.707 8.258 ( -3.541 -0.000 1.292) 3.769 8.965 ( 0.587 0.000 -1.058) 1.210 9.205 ( 0.451 0.000 -0.226) 0.504 10.047 ( -2.413 -0.000 -0.376) 2.443 10.220 ( 0.461 0.000 1.330) 1.408======================= Grid point 316 (136/189) =======================q-point: (-0.15 -0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.305 ( -6.357 -12.332 -1.774) 13.987 0.546 ( -11.979 -6.947 4.440) 14.542 0.813 ( -3.287 -11.808 -2.236) 12.459 0.881 ( -13.168 -16.529 4.026) 21.513 0.950 ( -4.207 -3.256 -2.105) 5.721 1.124 ( 2.463 -0.310 2.848) 3.778 1.184 ( 2.182 -5.519 -0.077) 5.935 1.218 ( 2.561 1.973 -0.217) 3.240 1.375 ( 1.289 -4.436 0.451) 4.641 1.458 ( 2.773 -2.839 5.055) 6.426 1.491 ( 1.198 -1.318 -2.600) 3.151 1.584 ( 1.058 -7.604 -1.023) 7.745 1.775 ( 1.601 -10.921 -1.612) 11.155 2.197 ( -4.854 1.124 0.428) 5.001 2.357 ( 2.631 1.016 -4.286) 5.131 2.682 ( -1.584 0.595 -2.793) 3.266 2.712 ( -1.022 3.368 0.359) 3.538 2.854 ( -3.771 3.198 2.728) 5.647 3.896 ( 1.128 -32.767 -5.048) 33.173 4.269 ( 22.743 -48.381 0.679) 53.464 4.489 ( -10.709 -6.431 -2.025) 12.655 4.775 ( -8.156 2.421 1.085) 8.577 5.030 ( -5.859 -6.034 1.927) 8.628 5.165 ( -8.224 0.936 0.770) 8.313 5.848 ( -7.425 4.839 -1.175) 8.940 5.997 ( 4.857 13.286 -3.724) 14.628 6.141 ( 2.875 1.799 -1.060) 3.553 6.213 ( 1.728 6.672 0.273) 6.897 6.333 ( 2.544 6.059 -0.161) 6.573 6.617 ( 3.040 1.290 -1.555) 3.650 6.657 ( 2.970 -0.607 -7.436) 8.030 6.870 ( -1.842 2.478 6.859) 7.522 6.966 ( 1.093 2.070 -1.718) 2.904 7.033 ( 1.906 -2.225 -11.428) 11.797 7.488 ( 6.155 -1.270 9.845) 11.680 7.919 ( 1.491 -0.249 3.011) 3.370 8.022 ( -3.963 3.986 -3.280) 6.508 8.209 ( -3.350 4.063 3.744) 6.461 8.954 ( 0.319 1.199 -0.410) 1.307 9.192 ( 0.266 1.444 -0.112) 1.472 10.029 ( -2.066 0.414 -0.400) 2.144 10.188 ( -0.703 3.199 1.071) 3.446======================= Grid point 317 (137/189) =======================q-point: (-0.08 -0.23 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -1.777 -13.947 4.498) 14.761 0.712 ( -3.071 -12.018 3.324) 12.842 0.945 ( 0.136 -4.631 -2.058) 5.069 1.044 ( -2.153 -6.358 -1.144) 6.809 1.101 ( -5.064 -8.613 1.997) 10.189 1.157 ( 1.305 -1.512 2.791) 3.432 1.231 ( 2.098 -1.584 -0.049) 2.629 1.337 ( 1.900 -7.576 -2.486) 8.197 1.480 ( 0.820 -1.504 1.978) 2.617 1.557 ( 0.640 -3.352 0.827) 3.511 1.568 ( -3.017 -16.136 0.055) 16.416 1.825 ( 2.054 -13.253 0.782) 13.434 1.956 ( -0.633 -7.511 -0.335) 7.545 2.273 ( 3.111 -5.510 0.008) 6.328 2.331 ( -2.519 -3.165 -4.831) 6.300 2.652 ( -1.379 0.550 -3.668) 3.957 2.674 ( 0.242 1.089 -0.251) 1.144 2.781 ( -1.512 3.109 3.121) 4.657 4.397 ( -3.254 -2.694 -2.037) 4.690 4.562 ( 1.549 -6.991 -3.198) 7.843 4.738 ( -2.964 -12.487 5.470) 13.951 4.885 ( 6.099 -2.496 -0.632) 6.620 5.072 ( 3.190 -7.640 -5.218) 9.786 5.324 ( 2.251 -12.396 4.845) 13.498 5.693 ( -1.076 8.053 0.014) 8.124 5.938 ( 11.975 -2.299 -6.777) 13.950 6.091 ( 0.544 3.299 0.012) 3.343 6.121 ( 2.554 2.868 1.047) 3.981 6.233 ( 2.986 4.637 -0.713) 5.561 6.581 ( 1.160 4.411 0.839) 4.637 6.608 ( 1.985 1.366 -6.509) 6.941 6.825 ( -1.210 3.166 2.329) 4.113 6.878 ( -1.386 5.584 0.673) 5.793 7.037 ( 3.603 0.604 -8.064) 8.852 7.556 ( 3.464 -0.373 5.724) 6.701 7.865 ( -4.707 4.457 -1.162) 6.586 7.970 ( 1.511 0.798 3.185) 3.614 8.102 ( -3.386 5.551 2.653) 7.023 8.922 ( -0.128 2.062 0.469) 2.119 9.157 ( -0.070 2.141 0.055) 2.143 10.009 ( -1.312 0.527 -0.585) 1.529 10.125 ( -1.237 2.646 0.480) 2.960======================= Grid point 329 (138/189) =======================q-point: (-0.15 -0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.149 ( -1.373 -0.000 21.997) 22.040 0.410 ( -14.783 -0.000 4.580) 15.476 0.557 ( -22.235 -0.000 7.250) 23.387 0.620 ( -5.452 -0.000 -2.854) 6.153 0.904 ( -2.895 -0.000 -1.980) 3.507 1.147 ( 2.127 0.000 0.001) 2.127 1.168 ( 4.828 0.000 5.605) 7.398 1.259 ( 0.056 0.000 -0.964) 0.965 1.353 ( 2.188 0.000 0.736) 2.309 1.404 ( 4.289 0.000 -0.831) 4.368 1.534 ( 2.612 0.000 4.690) 5.368 1.550 ( -0.343 -0.000 0.222) 0.409 1.622 ( 0.500 0.000 -5.900) 5.921 2.256 ( -5.533 -0.000 -9.641) 11.116 2.394 ( 6.383 0.000 0.798) 6.432 2.670 ( -1.334 -0.000 -2.144) 2.525 2.767 ( -1.432 -0.000 -0.125) 1.438 2.880 ( -4.528 -0.000 4.089) 6.101 3.382 ( -9.693 -0.000 4.537) 10.702 3.501 ( -0.604 -0.000 -5.460) 5.493 4.335 ( -13.645 -0.000 0.902) 13.675 4.763 ( -7.708 -0.000 0.027) 7.708 4.918 ( -4.387 -0.000 5.733) 7.219 5.148 ( -8.117 -0.000 2.562) 8.512 5.838 ( -8.765 -0.000 -0.857) 8.807 6.173 ( 4.237 0.000 -0.695) 4.294 6.272 ( 4.352 0.000 0.521) 4.383 6.291 ( 0.356 0.000 0.234) 0.426 6.409 ( 0.386 0.000 -0.147) 0.414 6.478 ( -4.487 -0.000 -38.934) 39.191 6.671 ( 6.781 0.000 2.208) 7.131 6.841 ( -8.178 -0.000 -10.123) 13.013 6.959 ( 1.797 0.000 8.692) 8.875 7.020 ( -0.071 -0.000 -1.303) 1.304 7.550 ( 6.108 0.000 12.088) 13.543 7.930 ( 0.579 0.000 -1.246) 1.373 8.028 ( -3.673 -0.000 -2.079) 4.220 8.274 ( 1.149 0.000 11.196) 11.255 8.970 ( 0.811 0.000 0.670) 1.052 9.210 ( 0.464 0.000 0.206) 0.507 10.021 ( -1.578 -0.000 0.391) 1.625 10.236 ( 1.176 0.000 1.052) 1.578======================= Grid point 330 (139/189) =======================q-point: (-0.08 -0.15 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.334 ( 1.938 -10.193 15.892) 18.979 0.473 ( -7.548 -10.817 8.821) 15.868 0.757 ( -12.795 -21.832 3.417) 25.535 0.770 ( -1.739 -14.255 -2.572) 14.589 0.894 ( -2.886 -2.479 -3.432) 5.124 1.171 ( 1.964 0.789 3.450) 4.047 1.200 ( 1.057 -4.056 -0.383) 4.209 1.249 ( 2.264 0.909 0.655) 2.526 1.394 ( 1.155 -3.252 0.774) 3.537 1.471 ( -0.698 -0.555 -3.382) 3.498 1.534 ( 3.832 -1.644 7.329) 8.432 1.589 ( 0.482 -8.612 -0.719) 8.655 1.779 ( 1.107 -11.366 -1.673) 11.541 2.116 ( -5.872 -2.644 -3.831) 7.493 2.374 ( 3.355 2.936 -3.147) 5.457 2.641 ( -2.046 0.486 -3.857) 4.393 2.709 ( 0.634 2.510 -0.005) 2.588 2.827 ( -4.139 2.502 2.327) 5.367 3.895 ( 2.969 -36.316 -2.857) 36.549 4.360 ( -8.937 -8.131 1.444) 12.169 4.507 ( 22.222 -40.352 -21.814) 50.970 4.729 ( -1.034 -2.722 1.107) 3.115 5.023 ( 0.205 -3.700 2.065) 4.242 5.136 ( 1.607 -5.858 12.461) 13.863 5.766 ( -5.735 2.831 -0.802) 6.446 6.005 ( 3.807 7.660 -14.069) 16.465 6.171 ( 3.199 2.281 -0.098) 3.930 6.230 ( 0.897 5.588 0.808) 5.717 6.350 ( 0.715 5.318 -0.550) 5.394 6.547 ( -3.170 -6.344 -18.792) 20.086 6.691 ( 3.723 3.972 -0.103) 5.445 6.800 ( -7.191 -2.084 -6.597) 9.979 6.973 ( -0.140 3.739 -0.088) 3.743 7.031 ( 5.672 -1.524 1.012) 5.960 7.601 ( 2.517 0.685 8.004) 8.419 7.892 ( -4.320 2.018 -3.202) 5.743 8.003 ( -0.235 1.075 2.446) 2.683 8.235 ( 0.099 7.438 10.553) 12.911 8.963 ( 0.777 1.548 1.734) 2.451 9.195 ( 0.256 1.633 0.215) 1.667 10.012 ( -0.621 0.668 0.604) 1.094 10.183 ( -1.470 4.084 1.132) 4.486======================= Grid point 343 (140/189) =======================q-point: (-0.08 -0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.282 ( -14.232 -0.000 7.673) 16.169 0.315 ( -4.419 -0.000 17.961) 18.497 0.432 ( -7.672 -0.000 23.375) 24.601 0.557 ( -2.328 -0.000 -3.447) 4.159 0.868 ( 0.256 0.000 -5.677) 5.682 1.165 ( 1.171 0.000 0.017) 1.171 1.234 ( 0.290 0.000 5.051) 5.060 1.253 ( -0.052 -0.000 -0.797) 0.799 1.376 ( 1.144 0.000 0.520) 1.257 1.452 ( 4.506 0.000 0.355) 4.520 1.548 ( -0.262 -0.000 0.124) 0.290 1.573 ( -1.470 -0.000 3.046) 3.382 1.611 ( 4.392 0.000 -1.670) 4.699 2.093 ( -9.748 -0.000 -11.564) 15.124 2.441 ( 1.913 0.000 -2.013) 2.777 2.657 ( 0.788 0.000 -4.503) 4.572 2.757 ( -0.107 -0.000 0.842) 0.848 2.860 ( -2.205 -0.000 3.189) 3.877 3.311 ( -7.210 -0.000 3.289) 7.924 3.480 ( 2.148 0.000 -4.367) 4.867 4.217 ( -8.581 -0.000 1.029) 8.642 4.699 ( -3.966 -0.000 0.090) 3.967 4.999 ( 5.097 0.000 5.649) 7.609 5.162 ( 8.587 0.000 18.351) 20.261 5.762 ( -4.369 -0.000 -0.437) 4.391 5.967 ( -37.716 -0.000 -36.965) 52.810 6.213 ( 3.907 0.000 -0.658) 3.962 6.282 ( -1.411 -0.000 -0.141) 1.418 6.322 ( 3.263 0.000 0.584) 3.315 6.405 ( -0.862 -0.000 0.102) 0.868 6.731 ( 1.069 0.000 -0.913) 1.406 6.758 ( 1.256 0.000 -1.373) 1.861 7.008 ( -0.305 -0.000 -0.819) 0.874 7.068 ( 9.661 0.000 2.398) 9.954 7.632 ( -1.724 -0.000 5.488) 5.752 7.890 ( -1.243 -0.000 -0.183) 1.256 8.017 ( -1.167 -0.000 2.514) 2.772 8.401 ( 7.967 0.000 6.487) 10.274 8.993 ( 1.220 0.000 2.991) 3.230 9.215 ( 0.206 0.000 0.257) 0.329 10.038 ( 3.346 0.000 2.328) 4.076 10.253 ( 0.875 0.000 -0.783) 1.174======================= Grid point 344 (141/189) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.406 ( -0.000 -0.000 0.000) 0.000 0.422 ( 0.000 0.000 -0.000) 0.000 0.548 ( 0.000 0.000 -0.000) 0.000 0.624 ( -0.000 -0.000 0.000) 0.000 1.119 ( -0.000 -0.000 -0.000) 0.000 1.172 ( -0.000 -0.000 0.000) 0.000 1.216 ( 0.000 0.000 0.000) 0.000 1.240 ( -0.000 -0.000 0.000) 0.000 1.369 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.441 ( -0.000 -0.000 0.000) 0.000 1.547 ( -0.000 -0.000 0.000) 0.000 1.777 ( -0.000 -0.000 0.000) 0.000 1.965 ( -0.000 -0.000 -0.000) 0.000 2.440 ( -0.000 -0.000 -0.000) 0.000 2.478 ( -0.000 -0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.845 ( -0.000 -0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.435 ( -0.000 -0.000 0.000) 0.000 4.182 ( -0.000 -0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 5.028 ( -0.000 -0.000 0.000) 0.000 5.377 ( -0.000 -0.000 0.000) 0.000 5.690 ( -0.000 -0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.250 ( -0.000 -0.000 0.000) 0.000 6.346 ( -0.000 -0.000 0.000) 0.000 6.407 ( -0.000 -0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 6.873 ( -0.000 -0.000 -0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.692 ( -0.000 -0.000 0.000) 0.000 7.961 ( -0.000 -0.000 0.000) 0.000 8.057 ( -0.000 -0.000 0.000) 0.000 8.422 ( -0.000 -0.000 0.000) 0.000 9.063 ( -0.000 -0.000 0.000) 0.000 9.225 ( -0.000 -0.000 0.000) 0.000 10.080 ( -0.000 -0.000 0.000) 0.000 10.217 ( -0.000 -0.000 0.000) 0.000======================= Grid point 346 (142/189) =======================q-point: ( 0.08 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 0.657 -9.203 -7.193) 11.699 0.655 ( 0.813 -9.717 6.008) 11.453 0.692 ( 1.164 -18.673 2.650) 18.896 0.732 ( 4.908 -14.552 -1.436) 15.424 0.955 ( -0.687 3.594 -9.565) 10.241 1.154 ( 0.116 4.335 4.275) 6.089 1.202 ( -0.587 -3.465 0.069) 3.515 1.323 ( -0.199 2.162 -0.927) 2.361 1.411 ( -1.396 -2.941 1.313) 3.510 1.420 ( 0.949 -0.892 -1.612) 2.072 1.539 ( 0.837 -16.268 1.913) 16.402 1.731 ( -0.288 -14.750 1.129) 14.796 1.776 ( -0.325 -1.164 -2.600) 2.867 1.962 ( -1.825 -0.382 1.214) 2.225 2.374 ( -0.907 2.499 -2.118) 3.399 2.487 ( 2.021 0.217 3.374) 3.939 2.741 ( -1.632 2.691 -0.657) 3.215 2.793 ( 3.286 2.260 0.664) 4.043 3.949 ( -2.934 -45.549 -3.503) 45.778 4.109 ( -0.500 -48.193 6.775) 48.669 4.313 ( 2.545 -12.214 0.182) 12.477 4.713 ( 1.795 -2.351 -0.199) 2.964 5.020 ( 0.625 0.604 -0.119) 0.877 5.396 ( 4.579 -0.686 2.120) 5.092 5.628 ( -1.890 2.775 -1.045) 3.516 5.716 ( 2.688 1.808 -0.158) 3.243 6.204 ( -1.648 3.365 -0.119) 3.749 6.266 ( -0.345 -0.577 -0.524) 0.853 6.310 ( -0.256 2.357 0.725) 2.479 6.371 ( -0.415 3.173 0.112) 3.202 6.677 ( 0.197 4.473 0.471) 4.502 6.815 ( -3.287 -0.392 -6.024) 6.874 6.885 ( 1.327 1.878 6.479) 6.875 7.003 ( -1.306 2.604 1.582) 3.315 7.695 ( 1.898 0.190 -1.326) 2.323 7.922 ( 0.070 4.176 -1.149) 4.332 8.034 ( 0.052 1.611 -0.039) 1.613 8.358 ( 0.204 6.207 -0.299) 6.218 9.049 ( -0.391 1.216 -1.015) 1.632 9.209 ( -0.004 1.588 -0.254) 1.608 10.036 ( -0.610 3.344 -0.435) 3.427 10.175 ( -0.072 3.668 0.580) 3.715======================= Grid point 347 (143/189) =======================q-point: ( 0.15 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 0.450 -9.689 -5.028) 10.926 0.844 ( -1.161 -9.645 4.591) 10.745 0.911 ( -0.459 -5.459 -9.820) 11.245 0.998 ( 0.863 -9.681 0.760) 9.750 1.062 ( 4.980 -9.467 -0.356) 10.703 1.133 ( -0.193 -0.819 6.066) 6.124 1.287 ( -0.803 0.540 -0.871) 1.302 1.288 ( -1.249 -3.320 0.403) 3.570 1.470 ( 0.806 -8.314 -1.088) 8.424 1.531 ( -0.342 -8.754 1.136) 8.834 1.753 ( 0.053 -2.025 -6.547) 6.853 1.904 ( -0.681 -16.167 -2.380) 16.356 1.961 ( -1.823 -4.162 1.842) 4.903 2.081 ( 1.841 -15.782 5.654) 16.865 2.342 ( -1.972 -0.618 -2.982) 3.629 2.504 ( 1.472 0.729 4.707) 4.985 2.690 ( -0.163 2.137 -0.779) 2.280 2.787 ( 2.220 0.528 0.505) 2.337 4.365 ( 0.529 -1.861 -0.597) 2.024 4.557 ( -0.639 1.066 -0.875) 1.520 4.810 ( 0.378 -26.090 1.441) 26.133 4.960 ( -3.796 -20.406 -1.332) 20.799 5.007 ( -4.363 -4.041 -2.129) 6.317 5.468 ( 0.244 -4.492 -3.125) 5.478 5.658 ( 0.151 -3.468 8.845) 9.502 5.707 ( 1.903 -1.181 0.858) 2.398 6.111 ( -1.534 4.321 -0.087) 4.586 6.233 ( -4.327 3.854 -1.222) 5.922 6.259 ( -2.595 0.380 -1.346) 2.948 6.353 ( 2.104 0.268 5.506) 5.900 6.599 ( 1.718 1.920 0.643) 2.656 6.793 ( 1.083 0.456 -3.365) 3.565 6.819 ( -0.904 6.486 2.957) 7.186 6.945 ( -2.184 3.274 4.307) 5.834 7.693 ( 1.706 0.603 -2.378) 2.988 7.816 ( 0.186 5.581 -0.255) 5.590 8.009 ( 0.046 1.108 -0.003) 1.109 8.211 ( 0.529 8.295 -1.842) 8.513 9.008 ( -0.891 1.962 -2.598) 3.375 9.170 ( 0.100 2.221 -0.450) 2.269 9.979 ( 0.332 2.198 0.375) 2.254 10.111 ( 0.386 2.873 0.514) 2.944======================= Grid point 348 (144/189) =======================q-point: ( 0.23 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.938 ( -0.807 -8.635 -2.698) 9.082 1.016 ( 0.843 -8.694 -7.008) 11.199 1.022 ( -2.298 -7.531 0.058) 7.874 1.109 ( 0.304 -3.370 0.025) 3.383 1.186 ( -0.986 -4.324 4.620) 6.404 1.201 ( 1.704 -1.676 1.448) 2.795 1.289 ( 0.709 -1.978 -1.465) 2.561 1.328 ( -1.185 -2.625 2.184) 3.614 1.634 ( -0.191 -5.840 -2.904) 6.525 1.684 ( -0.675 -4.012 -1.631) 4.383 1.829 ( -0.366 -9.325 0.034) 9.332 1.961 ( -1.241 0.062 1.117) 1.671 2.226 ( -0.378 -9.813 -1.606) 9.950 2.279 ( 2.282 -1.661 -2.214) 3.587 2.467 ( -1.456 -13.851 1.424) 14.000 2.510 ( 0.397 -2.344 5.917) 6.377 2.654 ( 0.558 1.266 -0.721) 1.560 2.798 ( 0.873 -1.048 -0.232) 1.384 4.288 ( -0.809 7.029 0.424) 7.088 4.424 ( -0.960 8.692 -0.325) 8.750 4.885 ( -5.561 4.488 -2.262) 7.496 5.162 ( -4.756 -8.163 4.771) 10.584 5.240 ( -5.603 -4.238 -11.690) 13.639 5.459 ( -6.720 2.211 1.664) 7.268 5.717 ( -1.438 -4.020 -2.814) 5.113 5.798 ( -2.845 -3.611 7.227) 8.565 6.077 ( 1.114 -1.700 0.001) 2.032 6.152 ( -3.750 0.629 -0.876) 3.902 6.240 ( -2.532 0.145 0.083) 2.538 6.372 ( -0.111 -1.149 6.424) 6.527 6.661 ( -0.149 2.174 -0.020) 2.179 6.678 ( -0.054 0.232 1.118) 1.143 6.787 ( 5.024 2.629 -0.036) 5.670 6.885 ( -3.459 1.656 4.438) 5.865 7.665 ( -0.841 1.434 -4.290) 4.601 7.742 ( 1.079 2.994 2.080) 3.802 7.992 ( -0.046 0.585 0.201) 0.621 8.061 ( 1.030 6.646 -2.106) 7.048 8.955 ( -0.847 1.882 -3.756) 4.286 9.128 ( 0.434 1.986 -0.606) 2.121 9.958 ( 0.970 0.811 1.457) 1.929 10.075 ( 0.558 1.433 0.486) 1.613======================= Grid point 349 (145/189) =======================q-point: ( 0.31 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( -0.454 -4.090 -0.500) 4.146 1.094 ( -1.324 -2.369 -1.935) 3.333 1.158 ( -0.358 -2.170 -1.782) 2.831 1.172 ( -1.212 -6.818 -3.736) 7.869 1.244 ( 0.259 -3.867 -0.693) 3.937 1.288 ( -1.058 -5.934 2.270) 6.441 1.350 ( 0.480 -3.917 3.849) 5.512 1.411 ( -0.790 -5.632 0.166) 5.689 1.637 ( -0.985 1.325 -3.339) 3.725 1.744 ( 0.059 -1.759 -1.979) 2.648 1.932 ( -0.682 2.379 -0.308) 2.494 1.957 ( -1.673 -1.108 2.565) 3.257 2.203 ( -0.402 2.955 -1.784) 3.475 2.283 ( 0.884 6.091 3.429) 7.046 2.637 ( 2.035 -9.697 -0.982) 9.957 2.648 ( -0.687 -1.142 -1.697) 2.158 2.762 ( -1.516 -11.825 4.429) 12.718 2.855 ( 1.972 -5.079 -0.880) 5.519 4.151 ( -2.740 5.130 0.248) 5.821 4.280 ( -4.196 4.312 0.765) 6.065 4.736 ( -12.973 5.536 -2.444) 14.315 4.957 ( -8.516 14.860 -8.231) 19.002 5.247 ( -6.440 1.368 -0.956) 6.653 5.408 ( -7.467 -0.800 0.154) 7.511 5.787 ( -7.812 -6.524 0.527) 10.192 5.824 ( -1.418 0.737 5.418) 5.649 6.153 ( -2.495 -2.478 -2.097) 4.095 6.158 ( 5.526 -1.416 4.000) 6.967 6.245 ( -1.978 -2.474 0.918) 3.298 6.414 ( -2.698 -1.309 3.284) 4.448 6.541 ( 1.897 5.020 1.226) 5.505 6.677 ( -1.188 5.700 0.678) 5.862 6.782 ( 1.523 -1.726 -0.910) 2.476 6.895 ( -0.026 -0.693 3.083) 3.160 7.622 ( -1.633 1.057 -3.401) 3.918 7.685 ( -0.261 4.120 -0.576) 4.168 7.965 ( 0.172 2.532 0.685) 2.629 8.001 ( 1.410 -0.249 -0.025) 1.432 8.909 ( -0.343 1.326 -3.962) 4.192 9.097 ( 0.784 1.419 -0.688) 1.761 9.959 ( 0.905 0.296 1.697) 1.946 10.060 ( 0.421 0.634 0.442) 0.880======================= Grid point 350 (146/189) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.091 ( 0.926 -0.317 -0.965) 1.375 1.112 ( -1.924 -1.289 -0.440) 2.357 1.186 ( 0.261 -1.253 -1.265) 1.800 1.219 ( -2.803 -1.255 -0.545) 3.119 1.341 ( -0.142 -5.680 -1.827) 5.969 1.410 ( -0.103 -6.203 -0.286) 6.210 1.462 ( -0.906 -5.734 3.794) 6.935 1.517 ( -1.778 -5.972 -1.154) 6.337 1.597 ( 0.433 1.356 -1.415) 2.007 1.731 ( 0.927 2.644 -0.054) 2.803 1.851 ( -0.127 6.779 -0.831) 6.830 1.884 ( -0.613 4.308 -2.817) 5.183 2.140 ( -0.574 5.130 3.642) 6.318 2.164 ( 1.630 6.128 2.320) 6.752 2.672 ( -1.685 -2.717 -2.199) 3.880 2.794 ( 2.198 -4.962 -1.121) 5.542 2.916 ( -2.330 -6.258 5.738) 8.804 3.007 ( 2.357 -7.112 -2.480) 7.892 4.104 ( -3.880 -2.575 -0.979) 4.759 4.210 ( -5.798 0.834 1.370) 6.016 4.487 ( -11.459 10.438 -5.631) 16.492 4.677 ( -8.958 7.640 -3.633) 12.321 5.130 ( -4.871 4.787 0.094) 6.830 5.399 ( -8.074 -1.866 -2.288) 8.597 5.792 ( -4.566 0.902 6.978) 8.388 5.913 ( -4.121 -8.003 1.533) 9.131 6.159 ( 2.223 3.123 4.212) 5.696 6.179 ( -3.813 -2.697 -2.731) 5.410 6.306 ( 0.856 -1.063 -0.121) 1.370 6.438 ( -1.020 -3.015 2.068) 3.796 6.474 ( 3.504 5.831 -1.494) 6.965 6.577 ( -1.252 2.285 2.353) 3.510 6.793 ( 1.576 1.549 1.116) 2.476 6.886 ( -0.123 2.214 0.603) 2.298 7.558 ( -1.579 4.169 -4.181) 6.112 7.612 ( -0.877 1.593 -0.656) 1.933 7.947 ( -0.019 0.096 1.495) 1.499 8.023 ( 1.320 -0.782 0.635) 1.661 8.877 ( 0.040 0.755 -3.078) 3.169 9.078 ( 0.784 0.860 -0.556) 1.289 9.964 ( 0.557 0.150 1.247) 1.374 10.055 ( 0.222 0.284 0.326) 0.486======================= Grid point 351 (147/189) =======================q-point: ( 0.46 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 0.562 -0.197 -0.510) 0.784 1.119 ( -0.727 -0.390 -0.027) 0.826 1.196 ( -0.052 -0.012 -0.397) 0.400 1.216 ( -1.235 -0.196 -0.237) 1.272 1.439 ( 0.225 -4.613 -0.386) 4.634 1.498 ( -1.486 -0.341 0.405) 1.577 1.530 ( -0.785 -4.447 -0.470) 4.540 1.598 ( -0.960 -3.112 -1.322) 3.515 1.610 ( 1.294 -1.396 1.168) 2.234 1.663 ( -0.218 5.703 0.405) 5.722 1.726 ( 1.441 3.097 0.055) 3.416 1.806 ( 0.494 3.004 -2.184) 3.747 2.063 ( 0.859 2.467 2.742) 3.787 2.082 ( -0.502 3.101 -0.070) 3.142 2.705 ( -0.703 -1.380 -0.586) 1.656 2.855 ( 0.543 -1.339 -0.311) 1.478 3.027 ( -1.068 -3.938 3.801) 5.576 3.087 ( 0.967 -1.191 -2.738) 3.139 4.166 ( -2.679 -3.279 -1.238) 4.412 4.210 ( -0.868 -3.413 1.801) 3.956 4.276 ( -4.191 4.635 -3.371) 7.100 4.490 ( -4.892 6.569 -0.996) 8.251 5.056 ( -1.736 1.175 0.315) 2.120 5.371 ( -3.607 0.139 -1.302) 3.837 5.786 ( -2.410 -0.426 3.009) 3.879 6.040 ( -5.085 -6.877 0.911) 8.601 6.117 ( 5.636 4.676 2.087) 7.615 6.204 ( -4.758 -2.975 -1.020) 5.704 6.294 ( 1.918 1.993 -0.494) 2.810 6.369 ( 1.429 3.927 -1.251) 4.363 6.509 ( -0.861 -3.699 0.139) 3.800 6.561 ( 0.274 1.649 1.794) 2.452 6.780 ( 2.056 0.249 1.806) 2.747 6.830 ( -0.958 2.648 -0.872) 2.948 7.470 ( -0.834 2.287 -2.094) 3.211 7.592 ( -0.323 0.332 -0.242) 0.523 7.954 ( -0.094 -0.227 0.736) 0.776 8.041 ( 0.568 -0.286 0.307) 0.707 8.862 ( 0.065 0.253 -1.174) 1.203 9.069 ( 0.323 0.301 -0.213) 0.490 9.966 ( 0.183 0.052 0.449) 0.488 10.053 ( 0.068 0.084 0.120) 0.162======================= Grid point 359 (148/189) =======================q-point: ( 0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.432 ( 6.478 0.000 -3.022) 7.148 0.462 ( 5.324 0.000 2.489) 5.877 0.569 ( 8.745 0.000 -8.204) 11.991 0.680 ( 3.935 0.000 8.464) 9.334 0.966 ( -3.978 -0.000 -23.194) 23.533 1.165 ( -1.254 -0.000 0.030) 1.254 1.242 ( 0.139 0.000 0.139) 0.197 1.339 ( 3.903 0.000 7.124) 8.124 1.360 ( -1.448 -0.000 5.027) 5.231 1.382 ( -1.371 -0.000 0.033) 1.372 1.442 ( -1.492 -0.000 3.282) 3.605 1.550 ( 0.475 0.000 -0.045) 0.477 1.755 ( -1.508 -0.000 -5.718) 5.913 1.947 ( -2.599 -0.000 2.971) 3.947 2.419 ( -0.678 -0.000 -1.968) 2.082 2.529 ( 3.010 0.000 5.949) 6.667 2.790 ( -0.366 -0.000 -1.771) 1.808 2.873 ( 3.534 0.000 0.901) 3.647 3.320 ( -0.355 -0.000 3.135) 3.155 3.463 ( 6.965 0.000 -3.610) 7.845 4.220 ( 6.492 0.000 0.752) 6.536 4.704 ( 4.466 0.000 -0.291) 4.476 5.036 ( 2.156 0.000 -0.742) 2.280 5.441 ( 4.831 0.000 -0.442) 4.851 5.645 ( 0.986 0.000 -1.816) 2.067 5.761 ( 5.187 0.000 -0.505) 5.211 6.205 ( -4.244 -0.000 0.049) 4.244 6.276 ( 1.596 0.000 0.279) 1.620 6.329 ( -2.784 -0.000 0.026) 2.784 6.410 ( 0.515 0.000 -0.305) 0.598 6.721 ( -1.793 -0.000 1.152) 2.131 6.761 ( -3.625 -0.000 -4.416) 5.714 6.929 ( 0.924 0.000 6.582) 6.646 7.022 ( -2.440 -0.000 1.605) 2.920 7.708 ( 4.011 0.000 -2.224) 4.586 7.955 ( -0.015 -0.000 -2.909) 2.909 8.054 ( -0.152 -0.000 -0.419) 0.446 8.424 ( -0.006 -0.000 0.304) 0.304 9.054 ( -0.739 -0.000 -1.622) 1.782 9.224 ( -0.013 -0.000 -0.440) 0.440 10.064 ( -1.890 -0.000 -1.195) 2.237 10.219 ( -0.882 -0.000 1.905) 2.100======================= Grid point 360 (149/189) =======================q-point: ( 0.15 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( 4.628 -7.314 -8.273) 11.973 0.683 ( 0.478 -13.384 4.077) 14.000 0.759 ( 4.882 -12.587 -5.884) 14.727 0.775 ( 3.907 -6.231 2.838) 7.883 0.893 ( 6.049 -6.224 -10.951) 13.973 1.179 ( -1.106 1.775 3.397) 3.989 1.194 ( -0.936 -1.365 0.922) 1.894 1.303 ( -1.351 1.983 -3.000) 3.841 1.406 ( -1.084 -3.529 -0.036) 3.692 1.417 ( -0.181 0.433 1.435) 1.510 1.560 ( 0.186 -15.274 1.577) 15.356 1.707 ( -3.206 -3.748 -5.560) 7.432 1.753 ( -0.756 -10.718 -1.190) 10.811 1.972 ( 0.802 -2.195 7.723) 8.069 2.348 ( -1.193 3.063 -2.092) 3.897 2.545 ( 2.924 0.846 5.095) 5.935 2.723 ( -0.405 2.623 -1.099) 2.872 2.843 ( 4.683 2.814 0.584) 5.495 3.882 ( -4.732 -42.783 -2.452) 43.113 4.147 ( -2.771 -44.404 9.977) 45.595 4.368 ( 6.739 -9.723 0.694) 11.851 4.749 ( 5.271 -1.058 -0.865) 5.445 5.038 ( 2.784 1.047 -0.103) 2.976 5.410 ( -1.933 0.217 -10.337) 10.518 5.662 ( 4.885 1.567 11.862) 12.924 5.761 ( 5.767 2.774 -0.502) 6.420 6.174 ( -3.332 2.004 -0.101) 3.889 6.251 ( -1.330 2.621 -1.224) 3.184 6.316 ( -0.279 1.463 2.617) 3.011 6.365 ( -1.104 1.982 1.153) 2.545 6.681 ( -0.842 3.400 0.541) 3.544 6.761 ( -0.651 -1.775 -1.790) 2.604 6.925 ( -0.091 3.007 4.937) 5.781 6.993 ( -2.594 1.868 2.589) 4.114 7.717 ( 3.831 0.872 -2.808) 4.829 7.906 ( -0.569 3.691 -3.070) 4.835 8.034 ( 0.041 1.443 -0.246) 1.464 8.356 ( 0.231 6.443 -1.758) 6.683 9.027 ( -1.270 1.456 -2.868) 3.458 9.206 ( -0.059 1.575 -0.621) 1.693 10.024 ( -0.659 2.230 -0.713) 2.433 10.179 ( -0.307 3.443 1.315) 3.699======================= Grid point 361 (150/189) =======================q-point: ( 0.23 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( 0.074 -9.490 -8.265) 12.585 0.847 ( 2.121 -7.335 -8.733) 11.600 0.870 ( -0.594 -7.150 3.437) 7.955 1.021 ( 2.449 -7.898 0.885) 8.316 1.118 ( 5.020 -6.513 -0.162) 8.225 1.168 ( 0.174 -1.973 5.119) 5.489 1.261 ( -1.112 0.439 -3.885) 4.064 1.278 ( -2.508 -4.261 2.925) 5.745 1.476 ( 0.983 -6.843 -0.792) 6.958 1.540 ( 0.170 -10.979 2.464) 11.254 1.693 ( -2.104 -2.135 -8.848) 9.342 1.873 ( -1.889 -13.017 -3.260) 13.552 1.953 ( -0.316 -10.795 0.547) 10.814 2.160 ( 3.635 -12.975 9.232) 16.334 2.299 ( -2.688 0.366 -2.577) 3.741 2.550 ( 1.150 1.678 5.345) 5.720 2.686 ( 0.581 1.424 -1.094) 1.887 2.817 ( 2.769 2.151 -0.220) 3.513 4.373 ( 1.463 -2.088 0.034) 2.549 4.534 ( -2.579 -4.501 -0.933) 5.270 4.822 ( -2.349 -21.693 3.769) 22.143 4.867 ( -4.077 -17.247 -5.205) 18.471 5.002 ( 0.125 2.860 1.798) 3.380 5.430 ( -1.664 -4.540 -5.514) 7.334 5.696 ( -1.769 2.000 4.714) 5.418 5.736 ( -0.966 -1.205 5.305) 5.526 6.095 ( -0.640 3.330 -0.228) 3.399 6.168 ( -4.856 3.669 -2.676) 6.649 6.220 ( -3.380 2.665 0.055) 4.305 6.412 ( 0.847 -0.273 8.358) 8.405 6.618 ( 0.704 1.365 -0.775) 1.721 6.797 ( 1.735 -0.875 0.025) 1.943 6.837 ( 0.442 6.490 3.869) 7.569 6.943 ( -2.637 3.156 3.853) 5.636 7.686 ( 0.473 2.342 -5.510) 6.006 7.824 ( 1.111 3.939 1.529) 4.369 8.007 ( -0.283 1.120 -0.407) 1.225 8.203 ( 1.072 8.163 -3.653) 9.008 8.976 ( -1.189 1.974 -3.719) 4.376 9.167 ( 0.123 2.060 -0.747) 2.194 9.989 ( 0.971 1.409 0.912) 1.939 10.121 ( 0.559 2.780 0.814) 2.950======================= Grid point 362 (151/189) =======================q-point: ( 0.31 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.905 ( -0.723 -9.808 -4.586) 10.851 0.988 ( 0.593 -7.374 -5.395) 9.156 1.008 ( -0.393 -7.396 0.554) 7.428 1.110 ( 0.118 -2.279 -0.416) 2.319 1.192 ( -0.769 -2.768 1.172) 3.103 1.225 ( 0.567 -0.840 1.327) 1.670 1.294 ( 1.572 -4.051 -0.765) 4.412 1.329 ( -1.882 -2.573 3.713) 4.893 1.621 ( 0.297 -4.272 -1.572) 4.562 1.653 ( -1.130 -3.963 -4.481) 6.088 1.836 ( -0.620 -10.773 3.016) 11.204 1.945 ( -2.111 -1.175 0.355) 2.442 2.194 ( -1.180 -4.286 -4.315) 6.195 2.305 ( 3.158 -6.623 -0.998) 7.405 2.462 ( -1.433 -10.463 2.434) 10.837 2.554 ( 0.206 -4.422 6.982) 8.267 2.657 ( 0.972 1.733 -0.810) 2.146 2.805 ( 1.088 -0.774 -1.169) 1.775 4.288 ( -0.164 8.097 1.711) 8.278 4.408 ( -1.747 10.325 0.160) 10.473 4.801 ( -7.285 8.078 -1.595) 10.994 5.087 ( -9.045 -1.107 -2.800) 9.533 5.152 ( -4.031 -7.457 -1.439) 8.598 5.372 ( -8.719 3.932 -1.395) 9.666 5.652 ( -7.607 -2.265 -2.314) 8.267 5.809 ( -2.634 -3.453 6.945) 8.191 6.098 ( -4.906 -0.948 -0.970) 5.090 6.111 ( 4.391 -3.294 0.423) 5.506 6.209 ( -2.020 -2.181 -1.140) 3.184 6.412 ( -0.413 1.287 8.140) 8.251 6.633 ( -3.360 -2.140 -3.526) 5.320 6.686 ( 0.445 6.834 1.721) 7.061 6.845 ( 4.416 2.370 0.683) 5.058 6.882 ( -2.745 0.229 5.784) 6.407 7.623 ( -1.571 1.545 -5.053) 5.512 7.767 ( 1.034 4.052 2.169) 4.711 7.991 ( -0.288 0.239 -0.307) 0.484 8.061 ( 1.708 5.884 -2.658) 6.679 8.924 ( -0.399 1.667 -3.622) 4.007 9.129 ( 0.547 1.764 -0.789) 2.008 9.980 ( 1.161 0.777 1.660) 2.170 10.085 ( 0.688 1.564 0.607) 1.813======================= Grid point 363 (152/189) =======================q-point: ( 0.38 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( -2.025 -5.236 -0.632) 5.649 1.072 ( -0.617 -2.761 -1.856) 3.384 1.137 ( -2.434 -3.562 -0.362) 4.329 1.146 ( 1.332 -4.260 -4.465) 6.314 1.237 ( -0.538 -3.501 -0.485) 3.575 1.295 ( 0.608 -5.397 0.936) 5.512 1.375 ( -0.318 -3.972 3.236) 5.133 1.399 ( -1.094 -4.816 0.027) 4.939 1.617 ( 0.121 0.740 -1.327) 1.524 1.734 ( 0.398 -2.712 -1.777) 3.266 1.914 ( -2.439 1.006 0.021) 2.639 1.948 ( -1.839 1.760 0.773) 2.660 2.191 ( -0.514 0.107 -0.550) 0.760 2.316 ( 1.306 6.649 3.443) 7.601 2.607 ( -1.497 -3.369 -4.332) 5.689 2.666 ( 1.997 -7.614 -0.473) 7.886 2.777 ( -1.586 -9.949 6.293) 11.879 2.872 ( 2.454 -5.927 -1.533) 6.595 4.121 ( -2.900 7.151 0.359) 7.725 4.236 ( -5.229 5.330 2.030) 7.738 4.577 ( -13.424 8.281 -0.668) 15.787 4.815 ( -9.785 14.488 -5.806) 18.421 5.167 ( -7.412 1.409 -0.228) 7.548 5.300 ( -9.651 -0.993 -3.698) 10.382 5.699 ( -9.012 -6.950 1.263) 11.450 5.849 ( -0.465 -0.235 6.298) 6.320 6.083 ( -7.073 -1.329 -1.873) 7.436 6.233 ( 2.037 -0.364 0.458) 2.119 6.245 ( 2.942 -5.469 0.168) 6.212 6.408 ( -2.082 0.555 4.656) 5.130 6.570 ( 1.125 3.333 1.630) 3.877 6.631 ( -3.253 2.784 -3.451) 5.499 6.817 ( 2.359 0.453 2.118) 3.203 6.911 ( -0.334 -0.172 2.687) 2.713 7.583 ( -1.375 0.787 -3.473) 3.818 7.675 ( -0.798 5.551 -0.640) 5.645 7.971 ( 0.827 1.857 -0.362) 2.065 8.016 ( 0.973 -0.483 0.545) 1.215 8.888 ( 0.536 1.101 -2.749) 3.009 9.102 ( 0.883 1.297 -0.702) 1.719 9.977 ( 0.667 0.561 1.328) 1.588 10.068 ( 0.472 0.826 0.479) 1.065======================= Grid point 364 (153/189) =======================q-point: ( 0.46 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.086 ( -1.685 -1.726 -0.677) 2.506 1.097 ( 0.668 -0.854 -0.531) 1.208 1.175 ( -2.811 -2.487 -0.567) 3.796 1.188 ( -0.199 -0.980 -1.240) 1.593 1.333 ( 0.318 -5.974 -1.284) 6.119 1.407 ( -0.473 -5.412 0.205) 5.436 1.460 ( -2.052 -4.307 -0.022) 4.771 1.494 ( -0.870 -5.545 0.398) 5.627 1.614 ( 1.991 0.039 1.825) 2.701 1.743 ( 1.145 1.861 0.396) 2.221 1.840 ( -0.827 5.801 -0.993) 5.943 1.871 ( 0.878 3.594 -2.286) 4.349 2.148 ( -0.812 4.138 1.548) 4.492 2.185 ( -0.436 7.416 2.365) 7.796 2.644 ( -1.112 -3.439 -1.913) 4.090 2.808 ( 1.816 -4.493 -1.601) 5.104 2.927 ( -2.010 -6.340 5.668) 8.738 3.013 ( 1.636 -6.099 -2.807) 6.910 4.054 ( -3.678 -2.799 -1.202) 4.776 4.156 ( -6.079 0.123 2.508) 6.577 4.355 ( -9.270 7.180 -0.169) 11.726 4.549 ( -9.642 5.867 -4.166) 12.031 5.073 ( -5.300 2.809 -0.070) 5.999 5.284 ( -9.141 -3.639 -3.704) 10.513 5.766 ( -6.644 -2.346 5.114) 8.707 5.892 ( -2.742 -4.290 3.273) 6.053 6.083 ( -6.916 -4.047 -1.650) 8.181 6.219 ( 2.478 2.478 0.075) 3.505 6.320 ( 1.402 -0.675 -0.285) 1.582 6.428 ( -1.096 -2.664 0.937) 3.029 6.505 ( 2.720 6.554 -2.672) 7.583 6.575 ( 0.246 -0.637 1.636) 1.773 6.821 ( 0.573 1.658 2.975) 3.454 6.885 ( -0.460 2.906 0.465) 2.978 7.519 ( -1.139 4.208 -3.741) 5.744 7.598 ( -1.060 1.009 -0.321) 1.498 7.956 ( 0.534 0.350 0.395) 0.750 8.039 ( 0.689 -0.702 0.913) 1.342 8.870 ( 1.100 0.647 -1.130) 1.705 9.084 ( 0.804 0.949 -0.432) 1.316 9.973 ( 0.111 0.426 0.542) 0.699 10.059 ( 0.224 0.457 0.304) 0.593======================= Grid point 365 (154/189) =======================q-point: ( 0.54 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.101 ( 0.539 -0.018 -0.150) 0.559 1.113 ( -0.365 -1.056 -0.038) 1.118 1.192 ( -0.573 -1.019 -0.684) 1.355 1.204 ( -0.365 -0.960 -0.027) 1.027 1.439 ( 0.207 -4.825 -0.506) 4.855 1.483 ( -1.505 -0.375 0.230) 1.568 1.516 ( -1.258 -6.082 -0.347) 6.220 1.587 ( -0.096 -3.489 -0.579) 3.538 1.630 ( 0.756 1.331 2.327) 2.786 1.683 ( 1.786 5.115 2.494) 5.964 1.741 ( 1.236 3.311 0.035) 3.535 1.805 ( 1.310 2.611 -1.654) 3.357 2.061 ( -2.015 3.787 -1.859) 4.676 2.080 ( -0.218 2.594 1.461) 2.986 2.696 ( -0.375 -2.289 -0.395) 2.353 2.860 ( 0.718 -0.980 -0.559) 1.337 3.033 ( -1.313 -3.335 2.458) 4.346 3.078 ( 0.429 -1.497 -2.527) 2.968 4.138 ( -1.599 -5.813 0.048) 6.029 4.217 ( -0.130 -7.229 1.951) 7.489 4.238 ( -1.581 2.087 1.131) 2.852 4.426 ( -5.234 1.260 -1.343) 5.549 5.033 ( -2.656 -0.756 0.101) 2.763 5.318 ( -4.205 -4.795 -1.800) 6.627 5.778 ( -2.073 -1.042 2.781) 3.622 5.976 ( -6.515 -5.826 -0.397) 8.749 6.139 ( -3.282 -2.964 -2.625) 5.142 6.179 ( 1.962 1.661 1.803) 3.139 6.323 ( 3.180 1.224 -0.220) 3.415 6.391 ( 3.508 4.528 -1.126) 5.838 6.496 ( -0.115 -3.628 -1.625) 3.977 6.574 ( 0.673 2.246 0.380) 2.375 6.787 ( -2.647 2.020 0.407) 3.354 6.826 ( 0.704 1.963 1.220) 2.416 7.453 ( -0.414 0.469 -1.166) 1.324 7.590 ( -0.088 -0.096 0.294) 0.321 7.956 ( 0.237 0.073 -0.442) 0.507 8.047 ( 0.038 0.358 0.632) 0.728 8.868 ( 1.126 0.241 0.893) 1.458 9.072 ( 0.346 0.546 -0.047) 0.648 9.966 ( -0.305 0.281 -0.301) 0.513 10.054 ( 0.043 0.229 0.078) 0.246======================= Grid point 366 (155/189) =======================q-point: (-0.38 0.08 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( -0.295 0.485 0.536) 0.781 1.128 ( 0.802 -0.339 0.142) 0.882 1.202 ( 0.226 0.267 0.796) 0.870 1.227 ( 0.893 -1.383 -0.486) 1.716 1.438 ( -0.341 3.872 0.241) 3.894 1.510 ( 1.244 -0.785 -0.600) 1.589 1.542 ( 0.776 4.464 0.931) 4.626 1.586 ( -1.404 2.481 -0.896) 2.989 1.625 ( 1.349 1.694 2.326) 3.178 1.680 ( 1.798 -4.795 1.667) 5.386 1.709 ( -1.415 -1.722 -0.205) 2.238 1.822 ( 0.467 -3.366 2.895) 4.464 2.028 ( -1.692 -2.807 -3.836) 5.045 2.074 ( -1.112 -2.101 -1.616) 2.875 2.717 ( 0.821 0.205 0.767) 1.142 2.852 ( -0.282 1.964 0.030) 1.985 3.012 ( 0.864 3.900 -4.116) 5.736 3.089 ( -1.420 1.408 2.249) 3.010 4.193 ( 0.873 2.448 0.082) 2.600 4.229 ( 3.394 -0.143 0.988) 3.538 4.364 ( 5.870 -8.580 6.626) 12.328 4.542 ( 3.745 -11.597 0.647) 12.203 5.064 ( 0.269 -3.357 -0.914) 3.490 5.409 ( 2.188 -4.836 0.649) 5.347 5.791 ( 1.786 0.109 -3.116) 3.593 6.032 ( -5.732 -3.683 -3.610) 7.710 6.075 ( 1.978 4.923 -1.157) 5.430 6.232 ( -0.514 -2.538 0.856) 2.727 6.311 ( 3.962 1.147 0.453) 4.150 6.378 ( 1.409 -1.289 1.300) 2.310 6.508 ( 0.388 3.650 -1.772) 4.076 6.551 ( 0.830 -1.087 -2.981) 3.280 6.740 ( -3.668 -0.952 -0.427) 3.814 6.841 ( 0.055 -1.969 0.937) 2.182 7.494 ( 0.956 -3.941 2.291) 4.657 7.599 ( 0.421 -0.620 0.601) 0.960 7.951 ( 0.714 0.399 -1.501) 1.709 8.030 ( -1.200 1.028 0.038) 1.581 8.878 ( 0.802 -0.244 2.593) 2.725 9.067 ( -0.229 -0.040 0.310) 0.387 9.957 ( -0.550 0.159 -0.992) 1.146 10.051 ( -0.076 0.047 -0.129) 0.157======================= Grid point 367 (156/189) =======================q-point: (-0.31 0.08 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.087 ( -0.575 0.429 0.526) 0.890 1.133 ( 1.322 0.620 0.591) 1.575 1.192 ( 0.021 1.015 1.268) 1.625 1.246 ( 1.698 0.486 0.014) 1.766 1.356 ( 0.151 4.898 2.035) 5.306 1.414 ( -0.223 6.914 1.129) 7.009 1.447 ( 1.252 7.378 -4.831) 8.908 1.530 ( -0.134 5.243 0.633) 5.283 1.623 ( 1.867 -1.407 3.404) 4.130 1.722 ( -0.766 -2.919 -0.097) 3.019 1.856 ( -0.132 -6.845 1.176) 6.946 1.915 ( 1.766 -4.513 2.638) 5.517 2.117 ( 0.389 -6.326 -5.332) 8.282 2.125 ( -3.120 -5.980 -1.163) 6.844 2.704 ( 1.658 2.288 1.780) 3.340 2.775 ( -2.047 5.698 0.504) 6.076 2.911 ( 2.608 5.604 -4.649) 7.734 2.992 ( -2.784 7.974 2.039) 8.688 4.145 ( 2.794 2.016 0.397) 3.468 4.260 ( 4.067 -0.733 -0.389) 4.151 4.662 ( 11.819 -12.853 8.287) 19.328 4.780 ( 5.673 -9.521 3.565) 11.642 5.170 ( 2.750 -7.245 -1.422) 7.879 5.483 ( 5.570 0.788 0.858) 5.690 5.785 ( 1.915 -0.944 -6.320) 6.670 5.953 ( 3.659 6.309 -1.337) 7.414 6.081 ( -4.538 -2.888 -3.166) 6.241 6.232 ( 1.282 2.687 0.747) 3.069 6.318 ( 3.120 2.108 0.466) 3.794 6.413 ( -1.662 -1.166 -2.353) 3.108 6.469 ( -0.367 -1.407 1.895) 2.388 6.559 ( -0.414 -2.815 -4.719) 5.510 6.784 ( -0.265 -2.966 1.459) 3.316 6.879 ( -0.513 -1.389 -0.690) 1.633 7.599 ( 1.489 -4.397 3.386) 5.746 7.623 ( 0.468 -1.801 0.618) 1.960 7.942 ( 1.036 0.285 -1.822) 2.115 8.002 ( -2.017 0.748 -0.217) 2.162 8.901 ( 0.529 -0.839 3.333) 3.478 9.073 ( -0.572 -0.746 0.478) 1.055 9.948 ( -0.671 0.070 -1.356) 1.515 10.051 ( -0.167 -0.139 -0.255) 0.335======================= Grid point 368 (157/189) =======================q-point: (-0.23 0.08 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.059 ( -0.140 3.116 0.265) 3.130 1.118 ( 1.017 2.180 1.231) 2.702 1.172 ( 0.472 2.073 1.354) 2.521 1.211 ( 1.481 6.082 4.158) 7.515 1.236 ( -1.513 6.037 0.602) 6.253 1.284 ( 1.384 6.958 -4.737) 8.530 1.327 ( -0.123 2.653 -1.666) 3.135 1.414 ( -0.043 6.141 0.049) 6.142 1.672 ( 1.362 -1.061 3.049) 3.504 1.754 ( 0.009 0.441 1.328) 1.399 1.937 ( -0.415 -2.133 0.989) 2.387 1.955 ( 1.245 2.938 -3.374) 4.644 2.219 ( -0.461 -5.911 3.222) 6.748 2.257 ( 0.134 -6.025 -3.820) 7.135 2.611 ( -1.716 9.139 -0.675) 9.324 2.670 ( 0.558 2.708 1.553) 3.171 2.756 ( 0.905 13.099 -2.076) 13.293 2.841 ( -1.075 3.932 0.345) 4.091 4.175 ( 1.682 -3.949 -0.116) 4.294 4.313 ( 2.181 -3.690 -0.235) 4.292 4.866 ( 7.671 -2.718 1.520) 8.279 5.097 ( 6.882 -14.923 8.833) 18.657 5.312 ( 3.367 -2.851 2.127) 4.898 5.453 ( 3.276 1.837 -4.594) 5.934 5.811 ( 0.340 -1.150 -1.537) 1.950 5.859 ( 5.694 6.669 -1.622) 8.917 6.085 ( -3.112 -2.344 -3.097) 4.977 6.160 ( -1.700 4.061 0.705) 4.459 6.278 ( 3.759 2.766 -0.316) 4.678 6.417 ( 0.911 2.260 -2.351) 3.386 6.520 ( -0.941 -5.977 -0.545) 6.075 6.644 ( -2.850 -6.649 -2.677) 7.714 6.803 ( 1.220 3.765 2.773) 4.832 6.878 ( 0.199 -0.330 -2.349) 2.381 7.653 ( 0.832 -1.635 1.665) 2.478 7.692 ( 0.365 -2.344 0.865) 2.524 7.960 ( 0.360 -2.930 -1.080) 3.144 7.986 ( -1.374 -0.203 0.454) 1.462 8.936 ( 0.527 -1.508 2.940) 3.346 9.093 ( -0.488 -1.490 0.394) 1.617 9.941 ( -0.659 -0.151 -1.226) 1.400 10.054 ( -0.253 -0.475 -0.270) 0.602======================= Grid point 369 (158/189) =======================q-point: (-0.15 0.08 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 0.146 7.971 0.620) 7.996 1.044 ( 1.357 9.076 0.042) 9.177 1.057 ( 0.241 7.412 6.271) 9.712 1.098 ( -0.666 4.426 -2.114) 4.950 1.163 ( 0.710 3.380 -4.060) 5.330 1.181 ( -1.293 4.032 0.237) 4.241 1.291 ( -0.131 1.009 0.475) 1.123 1.329 ( 0.435 2.223 -0.492) 2.318 1.657 ( 0.474 5.821 3.172) 6.646 1.684 ( -0.156 7.223 -2.026) 7.504 1.843 ( 0.563 6.143 1.702) 6.399 1.957 ( -0.022 -0.619 -1.395) 1.527 2.221 ( -0.643 11.387 -0.440) 11.414 2.287 ( -0.027 1.895 2.222) 2.921 2.473 ( 0.822 13.843 -0.894) 13.897 2.479 ( -0.452 1.263 -2.218) 2.592 2.653 ( -0.183 -0.968 0.280) 1.024 2.792 ( -0.355 1.497 -0.049) 1.539 4.295 ( 0.456 -6.791 0.019) 6.806 4.432 ( 0.247 -7.640 0.156) 7.646 4.941 ( 2.188 -2.431 1.308) 3.522 5.167 ( 0.974 11.305 -2.380) 11.593 5.365 ( 3.601 4.736 8.988) 10.779 5.489 ( 2.195 -4.104 -4.287) 6.328 5.728 ( -0.678 6.498 1.032) 6.614 5.786 ( 1.056 4.871 -3.150) 5.896 6.077 ( 0.300 0.988 0.280) 1.070 6.190 ( 1.909 -5.868 0.498) 6.191 6.261 ( 1.869 -0.046 -0.371) 1.906 6.334 ( -1.435 3.877 -2.886) 5.042 6.658 ( -0.766 5.393 0.288) 5.455 6.668 ( 0.654 -6.093 -1.803) 6.388 6.746 ( -2.520 -4.176 0.584) 4.912 6.899 ( 1.807 -1.425 -1.394) 2.690 7.692 ( 0.345 -0.168 2.476) 2.505 7.721 ( -0.560 -3.306 -1.600) 3.716 7.991 ( -0.018 -0.741 -0.109) 0.749 8.062 ( -0.344 -7.093 0.741) 7.140 8.980 ( 0.435 -1.958 1.618) 2.577 9.127 ( -0.185 -2.123 0.202) 2.141 9.944 ( -0.374 -0.965 -0.585) 1.189 10.068 ( -0.218 -1.336 -0.188) 1.367======================= Grid point 370 (159/189) =======================q-point: (-0.08 0.08 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.786 ( -0.000 8.777 -0.000) 8.777 0.835 ( -0.000 11.994 0.000) 11.994 0.957 ( -0.000 4.224 -0.000) 4.224 0.987 ( 0.000 8.986 0.000) 8.986 1.029 ( -0.000 11.614 -0.000) 11.614 1.112 ( -0.000 0.860 0.000) 0.860 1.294 ( -0.000 -1.010 0.000) 1.010 1.294 ( 0.000 3.560 -0.000) 3.560 1.470 ( -0.000 8.645 0.000) 8.645 1.530 ( -0.000 7.813 -0.000) 7.813 1.772 ( -0.000 3.675 -0.000) 3.675 1.916 ( 0.000 16.903 -0.000) 16.903 1.963 ( 0.000 -0.076 0.000) 0.076 2.057 ( 0.000 17.490 0.000) 17.490 2.367 ( 0.000 0.758 0.000) 0.758 2.476 ( -0.000 -0.131 -0.000) 0.131 2.695 ( -0.000 -2.777 0.000) 2.777 2.771 ( -0.000 0.469 -0.000) 0.469 4.364 ( 0.000 2.192 0.000) 2.192 4.562 ( 0.000 -3.138 0.000) 3.138 4.803 ( 0.000 27.810 -0.000) 27.810 4.968 ( -0.000 7.589 0.000) 7.589 5.069 ( -0.000 20.203 0.000) 20.203 5.466 ( -0.000 7.029 -0.000) 7.029 5.625 ( 0.000 3.352 -0.000) 3.352 5.693 ( -0.000 1.244 0.000) 1.244 6.121 ( 0.000 -4.551 0.000) 4.551 6.269 ( 0.000 -1.435 -0.000) 1.435 6.279 ( -0.000 0.009 0.000) 0.009 6.313 ( -0.000 -2.853 -0.000) 2.853 6.587 ( -0.000 -2.397 0.000) 2.397 6.798 ( -0.000 -4.841 -0.000) 4.841 6.818 ( 0.000 -3.192 0.000) 3.192 6.943 ( -0.000 -3.030 -0.000) 3.030 7.690 ( -0.000 0.072 0.000) 0.072 7.816 ( -0.000 -6.110 -0.000) 6.110 8.009 ( 0.000 -1.074 0.000) 1.074 8.214 ( 0.000 -8.265 0.000) 8.265 9.021 ( 0.000 -1.864 0.000) 1.864 9.170 ( -0.000 -2.292 0.000) 2.292 9.976 ( -0.000 -2.631 0.000) 2.631 10.107 ( 0.000 -2.898 0.000) 2.898======================= Grid point 374 (160/189) =======================q-point: ( 0.15 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( 8.007 0.000 -1.030) 8.073 0.556 ( 9.666 0.000 0.510) 9.679 0.607 ( 5.831 0.000 -14.235) 15.383 0.773 ( 4.475 0.000 2.281) 5.023 0.836 ( 7.145 0.000 -13.574) 15.339 1.146 ( -2.247 -0.000 0.073) 2.249 1.244 ( -0.136 -0.000 0.321) 0.349 1.311 ( -2.437 -0.000 -5.442) 5.962 1.361 ( -2.352 -0.000 0.056) 2.353 1.393 ( -3.151 -0.000 1.809) 3.633 1.472 ( -1.583 -0.000 9.987) 10.112 1.556 ( 0.730 0.000 -0.232) 0.766 1.672 ( -3.653 -0.000 -9.623) 10.293 1.997 ( 3.817 0.000 11.818) 12.419 2.398 ( -2.338 -0.000 -0.745) 2.453 2.592 ( 2.029 0.000 5.127) 5.514 2.784 ( 1.164 0.000 -1.526) 1.919 2.922 ( 4.695 0.000 0.012) 4.695 3.344 ( 0.374 0.000 4.991) 5.005 3.538 ( 11.539 0.000 -5.898) 12.959 4.326 ( 11.191 0.000 1.582) 11.303 4.773 ( 8.453 0.000 -0.676) 8.480 5.062 ( 3.656 0.000 -2.868) 4.647 5.348 ( -4.186 -0.000 -16.430) 16.954 5.820 ( 13.288 0.000 20.673) 24.575 5.833 ( 8.800 0.000 -0.679) 8.826 6.158 ( -4.454 -0.000 0.475) 4.479 6.279 ( -2.465 -0.000 -0.015) 2.465 6.296 ( -1.897 -0.000 -0.165) 1.904 6.410 ( -0.543 -0.000 -0.186) 0.574 6.671 ( -4.894 -0.000 0.053) 4.894 6.764 ( 3.040 0.000 1.150) 3.250 6.962 ( -1.205 -0.000 4.949) 5.093 7.008 ( -1.146 -0.000 1.184) 1.648 7.738 ( 3.356 0.000 -4.038) 5.250 7.923 ( -0.864 -0.000 -4.218) 4.306 8.050 ( -0.062 -0.000 -0.591) 0.594 8.416 ( -0.826 -0.000 -2.206) 2.356 9.025 ( -1.743 -0.000 -3.208) 3.651 9.219 ( -0.220 -0.000 -0.642) 0.679 10.038 ( -0.894 -0.000 -1.099) 1.417 10.218 ( -1.530 -0.000 2.186) 2.668======================= Grid point 375 (161/189) =======================q-point: ( 0.23 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( 2.224 -3.877 -14.981) 15.633 0.696 ( 5.133 -8.356 -8.551) 13.011 0.745 ( 3.080 -9.635 2.109) 10.333 0.872 ( 6.640 -6.900 4.446) 10.558 0.967 ( 12.160 -11.215 -3.666) 16.944 1.166 ( -2.566 -3.491 0.937) 4.433 1.194 ( -0.891 2.617 0.362) 2.788 1.259 ( -2.756 1.262 -4.081) 5.083 1.383 ( -2.292 -4.190 -0.870) 4.855 1.432 ( -0.394 -0.555 3.251) 3.322 1.547 ( -3.282 -12.003 -1.096) 12.491 1.627 ( -1.846 -2.814 -7.812) 8.506 1.738 ( -1.940 -11.788 1.195) 12.006 2.076 ( 6.344 -2.424 11.561) 13.408 2.318 ( -2.660 3.297 -1.696) 4.563 2.601 ( 1.543 1.171 4.774) 5.152 2.722 ( 1.665 2.983 -1.220) 3.628 2.895 ( 4.424 3.451 -0.472) 5.631 3.830 ( -3.601 -38.082 0.794) 38.260 4.160 ( -3.982 -40.451 5.902) 41.073 4.463 ( 9.360 -5.518 1.424) 10.959 4.816 ( 8.506 0.791 -1.881) 8.747 5.075 ( 4.182 0.616 -0.765) 4.296 5.303 ( -1.101 -2.556 -12.349) 12.659 5.791 ( 1.254 9.304 13.855) 16.736 5.831 ( 6.929 4.986 0.039) 8.536 6.138 ( -2.481 0.844 -0.182) 2.627 6.226 ( -1.957 5.447 -0.934) 5.863 6.322 ( -1.958 6.275 1.449) 6.731 6.382 ( 0.404 -5.715 7.543) 9.472 6.654 ( -3.313 0.814 -0.995) 3.554 6.787 ( 3.185 -0.711 3.277) 4.625 6.945 ( -1.327 2.899 4.044) 5.150 6.985 ( -0.383 1.985 1.024) 2.266 7.711 ( -0.527 1.953 -8.445) 8.684 7.894 ( 1.166 1.960 0.563) 2.349 8.030 ( -0.392 1.548 -0.866) 1.817 8.338 ( 0.169 6.051 -4.494) 7.539 8.991 ( -1.594 1.381 -3.411) 4.010 9.200 ( -0.200 1.498 -0.745) 1.685 10.022 ( 0.806 1.120 0.123) 1.385 10.183 ( -0.437 2.908 1.417) 3.265======================= Grid point 376 (162/189) =======================q-point: ( 0.31 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( 1.764 -10.411 -9.864) 14.450 0.836 ( 4.893 -7.032 -6.756) 10.910 0.898 ( 0.980 -5.214 4.136) 6.727 1.056 ( 2.575 -4.739 0.626) 5.430 1.156 ( 1.237 -1.502 0.664) 2.056 1.198 ( 2.009 -6.093 -0.902) 6.478 1.224 ( -0.950 0.114 -2.127) 2.332 1.271 ( -2.142 -5.154 3.409) 6.540 1.475 ( -0.647 -6.503 -0.278) 6.541 1.560 ( 0.056 -9.279 1.477) 9.396 1.620 ( -1.449 -6.915 -5.659) 9.053 1.827 ( -2.765 -11.173 -2.901) 11.870 1.966 ( 1.960 -13.599 0.225) 13.741 2.237 ( -1.919 -4.080 0.264) 4.516 2.272 ( 2.196 -4.584 6.065) 7.913 2.590 ( 0.373 2.042 5.033) 5.445 2.692 ( 1.643 1.306 -0.923) 2.293 2.840 ( 2.396 3.679 -1.745) 4.724 4.392 ( 0.577 -8.557 1.250) 8.667 4.506 ( -1.456 -3.727 1.851) 4.409 4.764 ( -7.948 -14.899 1.736) 16.975 4.864 ( 5.042 -10.267 -4.070) 12.141 5.013 ( -0.092 6.236 1.898) 6.519 5.377 ( -1.878 -5.282 -5.222) 7.661 5.668 ( -6.787 9.622 2.098) 11.960 5.744 ( -3.040 -0.452 5.283) 6.111 6.098 ( -0.954 3.611 -0.868) 3.834 6.117 ( 1.171 1.373 -1.211) 2.173 6.191 ( -2.435 3.468 0.802) 4.312 6.472 ( 0.456 0.430 9.237) 9.259 6.594 ( -2.576 1.796 -3.048) 4.377 6.815 ( -0.062 2.937 1.896) 3.496 6.876 ( 0.217 2.464 6.411) 6.871 6.937 ( -0.473 3.243 -0.104) 3.279 7.629 ( -2.732 2.045 -8.687) 9.333 7.862 ( 2.342 3.655 3.948) 5.868 7.994 ( -1.109 0.949 -1.696) 2.238 8.193 ( 1.767 7.506 -4.414) 8.885 8.944 ( -0.648 1.670 -2.771) 3.300 9.164 ( 0.140 1.847 -0.730) 1.991 10.010 ( 1.440 1.065 1.290) 2.207 10.132 ( 0.513 2.619 0.828) 2.795======================= Grid point 377 (163/189) =======================q-point: ( 0.38 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 0.956 -9.900 -4.060) 10.743 0.965 ( -0.099 -6.105 -2.886) 6.753 1.018 ( 1.894 -6.103 -0.340) 6.399 1.104 ( -0.434 -1.232 -1.184) 1.763 1.188 ( -0.728 -1.881 0.319) 2.042 1.230 ( 0.560 -2.199 -1.083) 2.515 1.311 ( 1.390 -4.489 0.201) 4.704 1.331 ( -1.940 -1.853 4.040) 4.850 1.604 ( -1.524 -1.785 -3.447) 4.170 1.629 ( 0.791 -7.498 -1.247) 7.642 1.837 ( -2.459 -8.289 2.477) 8.993 1.928 ( -1.860 -3.164 1.522) 3.973 2.158 ( -0.415 -1.918 -4.250) 4.681 2.325 ( 2.124 -12.153 -1.700) 12.454 2.468 ( -0.562 -4.760 3.007) 5.658 2.594 ( -0.436 -3.878 6.415) 7.509 2.667 ( 1.435 1.346 -0.282) 1.987 2.807 ( 1.137 -1.244 -2.342) 2.885 4.307 ( 1.061 10.420 3.206) 10.954 4.395 ( -1.511 12.079 1.983) 12.334 4.716 ( -6.836 11.600 -0.174) 13.465 4.971 ( -9.290 1.034 -1.782) 9.515 5.096 ( -4.853 -4.297 -1.510) 6.656 5.263 ( -8.508 6.589 -2.604) 11.071 5.528 ( -11.795 -3.849 -2.660) 12.689 5.831 ( -1.092 -4.442 6.802) 8.197 6.032 ( -5.127 0.832 -1.134) 5.316 6.173 ( 5.626 -3.736 -0.230) 6.757 6.186 ( -0.753 -2.703 -0.947) 2.962 6.463 ( 0.744 2.646 7.967) 8.427 6.562 ( -4.785 -1.387 -3.792) 6.261 6.702 ( 0.288 6.286 1.860) 6.562 6.864 ( -0.758 2.952 -0.815) 3.155 6.901 ( -0.087 -1.084 3.811) 3.963 7.571 ( -2.161 0.308 -5.052) 5.503 7.789 ( 0.579 5.939 1.773) 6.225 7.981 ( -0.435 -0.523 -1.531) 1.675 8.068 ( 2.110 5.183 -1.656) 5.836 8.908 ( 0.530 1.321 -1.792) 2.289 9.131 ( 0.570 1.529 -0.669) 1.764 10.001 ( 0.905 1.020 1.264) 1.860 10.096 ( 0.641 1.662 0.554) 1.866======================= Grid point 378 (164/189) =======================q-point: ( 0.46 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( -2.151 -4.821 -0.649) 5.319 1.055 ( -1.177 -4.310 -0.930) 4.563 1.109 ( -1.807 -1.812 -1.073) 2.775 1.138 ( 1.374 -4.065 -3.141) 5.318 1.230 ( -0.098 -3.688 -0.437) 3.715 1.310 ( 1.320 -4.993 0.383) 5.179 1.370 ( -1.984 -3.050 1.062) 3.790 1.401 ( 0.375 -4.410 0.564) 4.462 1.621 ( 0.563 -1.061 0.727) 1.404 1.731 ( 0.642 -3.187 -1.296) 3.500 1.882 ( -3.185 0.005 -0.014) 3.185 1.927 ( -2.301 2.284 -0.141) 3.245 2.187 ( 0.133 -0.489 0.003) 0.507 2.351 ( 0.980 7.990 3.607) 8.821 2.564 ( -1.232 -3.862 -4.484) 6.045 2.678 ( 1.018 -8.468 -0.850) 8.572 2.800 ( -1.295 -8.346 6.335) 10.558 2.888 ( 2.297 -6.191 -2.150) 6.945 4.098 ( -1.770 9.438 0.785) 9.635 4.197 ( -4.641 7.068 3.536) 9.165 4.444 ( -11.523 9.583 1.885) 15.106 4.678 ( -9.350 14.697 -4.010) 17.874 5.083 ( -7.882 0.134 -0.328) 7.890 5.169 ( -8.458 0.098 -5.515) 10.097 5.609 ( -8.419 -8.611 0.894) 12.076 5.888 ( -0.408 -0.003 6.723) 6.735 5.995 ( -6.053 -0.793 -1.309) 6.243 6.211 ( -1.838 -1.995 -3.977) 4.814 6.285 ( 2.336 -3.532 0.365) 4.250 6.434 ( 0.966 2.162 3.953) 4.608 6.549 ( -3.437 -0.500 -1.662) 3.851 6.620 ( 1.918 4.022 0.584) 4.494 6.843 ( 0.406 -0.378 1.401) 1.507 6.917 ( -0.951 0.325 1.451) 1.765 7.553 ( -0.768 0.145 -2.727) 2.837 7.659 ( -1.419 6.736 -0.732) 6.923 7.979 ( 1.492 1.171 -1.098) 2.192 8.027 ( 0.272 -0.373 0.853) 0.970 8.890 ( 1.475 0.830 -0.565) 1.785 9.107 ( 0.784 1.178 -0.516) 1.506 9.988 ( 0.201 0.907 0.575) 1.093 10.076 ( 0.420 1.002 0.402) 1.159======================= Grid point 379 (165/189) =======================q-point: ( 0.54 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( -1.743 -2.863 -0.050) 3.352 1.103 ( 0.944 -0.987 -0.647) 1.512 1.133 ( -3.444 -2.937 -0.704) 4.581 1.187 ( 0.443 -1.476 -0.716) 1.699 1.332 ( 0.667 -6.139 -0.995) 6.255 1.401 ( -0.775 -4.378 0.128) 4.448 1.435 ( -1.525 -3.814 -0.581) 4.149 1.493 ( -0.297 -5.180 0.549) 5.217 1.655 ( 2.312 -0.592 3.336) 4.102 1.757 ( 0.619 0.584 0.566) 1.023 1.828 ( 0.044 4.007 -1.023) 4.135 1.870 ( 0.843 3.054 -1.672) 3.582 2.143 ( -0.560 3.963 -0.157) 4.006 2.183 ( -2.134 8.872 1.911) 9.323 2.626 ( -0.384 -4.112 -1.242) 4.313 2.815 ( 1.276 -4.366 -1.538) 4.801 2.939 ( -1.715 -5.850 5.217) 8.024 3.009 ( 1.038 -5.116 -3.222) 6.135 4.017 ( -1.548 -2.735 -0.911) 3.272 4.109 ( -5.466 -0.935 2.980) 6.295 4.277 ( -7.706 3.307 3.836) 9.221 4.429 ( -6.949 4.997 -4.138) 9.506 5.019 ( -4.604 1.429 0.294) 4.830 5.164 ( -7.906 -5.694 -4.449) 10.711 5.721 ( -5.965 -5.828 3.649) 9.102 5.875 ( -3.871 -0.047 1.791) 4.265 6.026 ( -2.076 -4.368 0.367) 4.850 6.210 ( -2.273 -0.190 -3.017) 3.782 6.333 ( 1.339 -1.021 0.235) 1.700 6.434 ( 0.818 -1.238 0.327) 1.519 6.495 ( 0.057 3.837 -3.329) 5.080 6.608 ( 3.048 0.222 1.494) 3.402 6.829 ( -1.935 2.822 2.070) 4.000 6.886 ( 0.038 2.561 0.699) 2.655 7.491 ( -0.473 4.420 -2.483) 5.092 7.585 ( -1.049 -0.004 -0.038) 1.049 7.964 ( 0.893 0.763 -0.382) 1.235 8.048 ( 0.048 -0.719 0.823) 1.094 8.886 ( 1.789 0.528 0.770) 2.018 9.090 ( 0.638 0.996 -0.246) 1.208 9.973 ( -0.300 0.705 -0.157) 0.782 10.063 ( 0.180 0.620 0.222) 0.682======================= Grid point 380 (166/189) =======================q-point: ( 0.62 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.105 ( -0.189 -0.727 0.719) 1.040 1.112 ( 0.444 -0.863 -0.638) 1.161 1.179 ( -0.517 -3.136 -0.873) 3.296 1.205 ( 0.138 -0.446 0.384) 0.605 1.437 ( 0.150 -4.516 -0.653) 4.566 1.469 ( -1.207 -0.514 0.084) 1.315 1.503 ( -1.032 -7.291 0.265) 7.368 1.585 ( -0.062 -3.327 -0.276) 3.339 1.657 ( 1.248 3.164 2.385) 4.154 1.718 ( 1.208 4.225 2.682) 5.148 1.758 ( 1.645 3.222 1.156) 3.798 1.812 ( 1.534 1.773 -1.588) 2.831 2.019 ( -2.677 4.608 -2.636) 5.945 2.079 ( -0.827 3.044 0.344) 3.173 2.692 ( -0.053 -2.880 -0.189) 2.887 2.863 ( 0.555 -0.878 -0.630) 1.215 3.030 ( -1.068 -1.919 1.176) 2.491 3.067 ( 0.059 -2.514 -1.708) 3.040 4.132 ( 0.136 -7.565 0.548) 7.586 4.231 ( 0.420 -9.880 2.295) 10.152 4.243 ( -0.533 -1.776 3.092) 3.605 4.363 ( -4.449 -2.910 -1.774) 5.604 5.005 ( -2.315 -1.758 0.221) 2.915 5.265 ( -3.257 -8.770 -1.658) 9.501 5.778 ( -0.829 -1.481 2.690) 3.181 5.901 ( -5.678 -4.865 -1.694) 7.667 6.098 ( -1.495 -2.882 -1.769) 3.698 6.187 ( -1.226 -0.154 -0.416) 1.304 6.356 ( 2.774 -0.026 0.689) 2.858 6.422 ( 2.790 3.221 -1.092) 4.399 6.495 ( 1.676 -3.914 -2.024) 4.714 6.584 ( 1.770 3.908 -0.494) 4.318 6.746 ( -4.618 3.550 0.014) 5.824 6.841 ( 0.216 1.813 1.381) 2.290 7.447 ( 0.034 -0.982 -0.239) 1.011 7.592 ( 0.007 -0.544 0.450) 0.706 7.956 ( 0.584 0.285 -0.811) 1.039 8.048 ( -0.447 0.894 0.547) 1.140 8.892 ( 1.441 0.252 1.807) 2.325 9.075 ( 0.267 0.718 0.052) 0.767 9.958 ( -0.517 0.474 -0.664) 0.966 10.055 ( 0.018 0.356 0.036) 0.359======================= Grid point 381 (167/189) =======================q-point: (-0.31 0.15 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.096 ( -0.088 0.722 0.336) 0.801 1.137 ( 0.600 -0.766 0.173) 0.988 1.209 ( 0.253 0.340 0.758) 0.869 1.230 ( 0.316 -2.240 -0.721) 2.374 1.435 ( -0.298 3.294 0.084) 3.309 1.517 ( 0.673 -2.643 -0.617) 2.796 1.557 ( 0.288 4.841 1.661) 5.126 1.571 ( -0.355 4.141 -0.930) 4.259 1.652 ( 1.338 -0.342 1.491) 2.033 1.689 ( -1.596 -4.325 0.353) 4.624 1.719 ( 2.125 0.394 1.678) 2.736 1.849 ( 0.939 -4.078 2.978) 5.136 1.986 ( -1.574 -3.397 -3.485) 5.115 2.044 ( -1.733 -0.829 -2.223) 2.938 2.730 ( 0.569 -0.754 0.642) 1.142 2.849 ( -0.156 2.564 -0.137) 2.573 3.000 ( 0.734 3.491 -2.740) 4.498 3.084 ( -1.221 1.873 1.312) 2.592 4.199 ( 0.539 0.925 -0.339) 1.123 4.273 ( 2.332 -0.363 1.565) 2.832 4.466 ( 4.795 -13.627 5.879) 15.596 4.578 ( 2.021 -15.295 0.366) 15.432 5.054 ( -0.656 -4.407 -1.279) 4.636 5.428 ( 0.956 -8.167 0.241) 8.226 5.788 ( 0.861 0.727 -2.333) 2.591 5.956 ( -4.001 -3.345 -2.643) 5.846 6.078 ( 0.069 1.896 -0.966) 2.129 6.229 ( -0.555 -2.666 0.535) 2.775 6.354 ( 3.064 1.467 0.220) 3.404 6.406 ( 1.729 0.285 0.969) 2.002 6.508 ( 0.859 4.122 -0.269) 4.219 6.540 ( 1.215 0.817 -4.256) 4.501 6.700 ( -3.501 -3.406 0.753) 4.942 6.843 ( -0.394 -1.504 0.606) 1.669 7.515 ( 0.645 -5.027 1.484) 5.281 7.606 ( 0.259 -0.752 0.451) 0.915 7.954 ( 1.400 0.174 -1.135) 1.811 8.015 ( -1.648 1.900 0.142) 2.519 8.903 ( 0.788 -0.204 2.095) 2.248 9.067 ( -0.112 0.158 0.230) 0.301 9.945 ( -0.482 0.305 -0.834) 1.010 10.050 ( -0.052 0.138 -0.084) 0.169======================= Grid point 382 (168/189) =======================q-point: (-0.23 0.15 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.085 ( -0.190 0.549 0.163) 0.604 1.146 ( 0.460 0.284 0.264) 0.602 1.199 ( 0.099 0.931 0.546) 1.084 1.257 ( 0.521 -0.088 -0.087) 0.536 1.366 ( -0.021 3.609 0.948) 3.731 1.419 ( -0.413 7.898 1.585) 8.066 1.434 ( 0.975 8.449 -3.198) 9.086 1.530 ( -0.255 4.581 0.353) 4.601 1.661 ( 1.316 -1.082 2.016) 2.640 1.712 ( -0.605 -3.082 -0.528) 3.184 1.863 ( 0.055 -6.771 0.742) 6.812 1.947 ( 1.213 -3.304 1.350) 3.770 2.089 ( -1.247 -5.900 -1.389) 6.189 2.093 ( -0.599 -8.385 -1.907) 8.620 2.726 ( 0.897 1.894 0.634) 2.189 2.759 ( -1.053 6.413 0.192) 6.502 2.915 ( 1.567 4.815 -2.074) 5.472 2.976 ( -1.652 8.745 1.062) 8.963 4.168 ( 1.022 1.578 0.080) 1.881 4.290 ( 1.427 -0.378 -0.042) 1.477 4.809 ( 7.034 -10.996 1.564) 13.147 4.841 ( 0.808 -14.516 5.342) 15.489 5.171 ( 0.049 -8.563 -2.141) 8.827 5.529 ( 2.166 0.490 0.128) 2.224 5.769 ( 0.435 -0.805 -2.573) 2.731 5.955 ( -0.674 0.199 -1.754) 1.890 6.051 ( 0.204 2.214 -0.176) 2.231 6.232 ( -0.554 2.374 -0.003) 2.438 6.358 ( 2.493 2.784 0.776) 3.817 6.387 ( -0.968 -1.771 -1.342) 2.423 6.479 ( 0.017 0.523 1.729) 1.807 6.524 ( -0.833 -2.986 -3.223) 4.472 6.795 ( 0.351 -5.057 1.028) 5.172 6.869 ( -0.477 -0.454 -0.429) 0.786 7.626 ( 0.664 -3.515 1.017) 3.719 7.629 ( 0.071 -3.014 0.538) 3.063 7.949 ( 1.794 1.181 -1.061) 2.395 7.978 ( -2.140 0.167 0.224) 2.158 8.922 ( 0.306 -0.899 1.440) 1.725 9.071 ( -0.213 -0.654 0.184) 0.712 9.936 ( -0.303 0.190 -0.597) 0.695 10.049 ( -0.062 -0.056 -0.097) 0.129======================= Grid point 383 (169/189) =======================q-point: (-0.15 0.15 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.058 ( -0.000 2.886 0.000) 2.886 1.128 ( 0.000 1.919 0.000) 1.919 1.180 ( -0.000 1.575 -0.000) 1.575 1.224 ( -0.000 4.828 0.000) 4.828 1.252 ( -0.000 7.241 -0.000) 7.241 1.259 ( 0.000 8.358 0.000) 8.358 1.324 ( -0.000 2.256 0.000) 2.256 1.414 ( -0.000 6.272 0.000) 6.272 1.691 ( -0.000 -0.733 0.000) 0.733 1.758 ( -0.000 -0.408 0.000) 0.408 1.938 ( -0.000 -1.574 0.000) 1.574 1.949 ( 0.000 3.370 -0.000) 3.370 2.228 ( -0.000 -7.030 0.000) 7.030 2.243 ( 0.000 -6.150 -0.000) 6.150 2.599 ( -0.000 9.419 -0.000) 9.419 2.677 ( -0.000 3.133 0.000) 3.133 2.755 ( 0.000 13.519 0.000) 13.519 2.836 ( -0.000 3.361 0.000) 3.361 4.184 ( 0.000 -3.590 0.000) 3.590 4.324 ( -0.000 -3.471 0.000) 3.471 4.913 ( -0.000 -2.069 0.000) 2.069 5.174 ( 0.000 -12.978 0.000) 12.978 5.339 ( -0.000 -8.092 0.000) 8.092 5.447 ( -0.000 5.561 0.000) 5.561 5.809 ( -0.000 -1.879 0.000) 1.879 5.885 ( -0.000 8.045 -0.000) 8.045 6.060 ( -0.000 -5.408 0.000) 5.408 6.149 ( -0.000 5.173 0.000) 5.173 6.302 ( 0.000 2.790 0.000) 2.790 6.412 ( 0.000 2.972 0.000) 2.972 6.514 ( -0.000 -6.732 0.000) 6.732 6.617 ( 0.000 -6.142 0.000) 6.142 6.819 ( -0.000 5.652 0.000) 5.652 6.872 ( 0.000 -2.356 0.000) 2.356 7.661 ( -0.000 -2.097 -0.000) 2.097 7.698 ( 0.000 -1.368 0.000) 1.368 7.959 ( -0.000 -3.004 0.000) 3.004 7.979 ( 0.000 -0.480 0.000) 0.480 8.949 ( 0.000 -1.588 0.000) 1.588 9.092 ( -0.000 -1.505 0.000) 1.505 9.933 ( 0.000 -0.109 0.000) 0.109 10.052 ( -0.000 -0.413 0.000) 0.413======================= Grid point 389 (170/189) =======================q-point: ( 0.23 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( 0.042 0.000 -23.142) 23.142 0.587 ( 7.754 0.000 0.050) 7.754 0.670 ( 10.808 0.000 -0.446) 10.817 0.859 ( 9.775 0.000 0.515) 9.788 0.924 ( 12.822 0.000 -2.900) 13.146 1.118 ( -2.960 -0.000 0.147) 2.964 1.232 ( -4.208 -0.000 -7.858) 8.914 1.240 ( -1.182 -0.000 0.505) 1.285 1.334 ( -2.422 -0.000 0.097) 2.424 1.351 ( -4.592 -0.000 -0.409) 4.610 1.492 ( -3.378 -0.000 5.824) 6.733 1.562 ( 0.706 0.000 -0.543) 0.891 1.592 ( -2.207 -0.000 -5.242) 5.687 2.145 ( 6.974 0.000 14.583) 16.165 2.347 ( -5.608 -0.000 -2.258) 6.046 2.636 ( 0.969 0.000 4.229) 4.339 2.795 ( 2.073 0.000 -1.092) 2.343 2.967 ( 3.975 0.000 -1.565) 4.272 3.390 ( 1.675 0.000 6.598) 6.808 3.632 ( 12.756 0.000 -7.935) 15.023 4.475 ( 13.313 0.000 2.553) 13.555 4.877 ( 11.377 0.000 -1.148) 11.434 5.067 ( 4.086 0.000 -7.199) 8.278 5.276 ( 3.770 0.000 -5.345) 6.541 5.942 ( 11.210 0.000 0.205) 11.211 6.077 ( 6.355 0.000 24.989) 25.784 6.115 ( -4.155 -0.000 0.777) 4.227 6.232 ( -4.516 -0.000 -0.593) 4.554 6.280 ( -1.754 -0.000 0.013) 1.754 6.394 ( -2.254 -0.000 -0.049) 2.254 6.627 ( -3.287 -0.000 -0.541) 3.331 6.815 ( 2.958 0.000 3.578) 4.643 6.968 ( -1.660 -0.000 2.842) 3.291 7.016 ( 1.249 0.000 0.649) 1.408 7.688 ( -3.443 -0.000 -12.924) 13.374 7.916 ( 0.819 0.000 0.712) 1.085 8.047 ( 0.330 0.000 -0.147) 0.361 8.382 ( -0.396 -0.000 -5.667) 5.681 8.985 ( -1.710 -0.000 -3.005) 3.458 9.211 ( -0.447 -0.000 -0.712) 0.841 10.038 ( 1.344 0.000 0.284) 1.374 10.214 ( -1.327 -0.000 1.729) 2.179======================= Grid point 390 (171/189) =======================q-point: ( 0.31 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.495 ( 4.298 -6.474 -15.193) 17.065 0.743 ( 9.089 -6.433 -4.689) 12.082 0.809 ( 4.905 -7.319 3.174) 9.365 0.961 ( 5.253 -5.744 2.352) 8.132 1.078 ( 9.909 -7.100 -2.747) 12.495 1.144 ( -1.733 -5.071 0.603) 5.393 1.172 ( -1.159 1.491 -2.857) 3.425 1.205 ( -2.442 -0.118 -2.525) 3.515 1.351 ( -2.892 -4.585 0.304) 5.429 1.441 ( -1.112 -5.225 1.921) 5.677 1.488 ( -3.990 -3.830 -2.692) 6.151 1.587 ( 0.473 -6.676 -3.939) 7.766 1.727 ( -1.739 -11.700 1.876) 11.976 2.224 ( 7.733 0.287 8.580) 11.554 2.261 ( -5.788 1.430 -0.640) 5.996 2.635 ( 0.007 1.406 4.308) 4.532 2.743 ( 3.003 3.308 -0.864) 4.550 2.930 ( 3.437 3.942 -1.999) 5.599 3.815 ( -1.737 -33.396 3.707) 33.646 4.133 ( -3.042 -35.447 -1.386) 35.605 4.588 ( 10.850 -1.338 3.031) 11.345 4.911 ( 11.096 2.097 -2.511) 11.568 5.120 ( 5.400 -1.101 -1.058) 5.612 5.270 ( 3.673 0.136 -4.283) 5.643 5.846 ( -2.881 13.757 9.187) 16.792 5.895 ( 2.641 10.336 1.549) 10.780 6.132 ( 2.569 -1.155 -0.535) 2.867 6.198 ( -2.043 6.347 -0.580) 6.693 6.297 ( -3.237 7.139 0.476) 7.853 6.448 ( -0.064 -7.610 11.739) 13.990 6.604 ( -3.834 0.864 -1.944) 4.385 6.838 ( 0.627 0.007 4.972) 5.011 6.945 ( -2.092 2.319 2.479) 3.988 6.998 ( 1.954 2.672 -0.938) 3.441 7.606 ( -4.750 1.195 -13.871) 14.710 7.922 ( 0.466 0.053 1.503) 1.575 8.023 ( 0.570 2.796 0.436) 2.887 8.313 ( 1.150 5.065 -5.588) 7.629 8.959 ( -0.966 0.982 -2.020) 2.445 9.193 ( -0.239 1.310 -0.627) 1.472 10.041 ( 1.854 0.812 1.050) 2.280 10.187 ( -0.388 2.368 1.151) 2.661======================= Grid point 391 (172/189) =======================q-point: ( 0.38 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( 5.219 -10.982 -6.012) 13.564 0.869 ( 6.629 -4.070 -3.881) 8.693 0.935 ( 1.812 -4.419 2.207) 5.261 1.072 ( 0.195 -2.015 -1.087) 2.297 1.158 ( -0.541 -1.259 -0.631) 1.509 1.174 ( -0.811 -2.840 -3.294) 4.424 1.246 ( 2.554 -3.687 1.009) 4.597 1.276 ( -0.534 -5.607 3.323) 6.539 1.457 ( -1.813 -6.817 -1.188) 7.153 1.533 ( -2.352 -4.770 -2.342) 5.812 1.626 ( 2.655 -12.535 1.987) 12.966 1.784 ( -2.294 -10.867 -1.982) 11.282 1.991 ( 2.210 -15.356 0.158) 15.515 2.173 ( -5.958 0.657 -3.166) 6.778 2.359 ( 4.004 -5.655 6.825) 9.726 2.621 ( 0.122 1.414 4.551) 4.767 2.709 ( 2.025 1.733 -0.327) 2.685 2.847 ( 1.757 5.088 -3.185) 6.254 4.391 ( -2.198 -19.172 2.519) 19.462 4.543 ( 2.516 2.871 5.991) 7.104 4.693 ( -4.680 -13.209 -0.678) 14.030 4.903 ( 7.130 -0.847 -5.230) 8.883 5.022 ( -0.506 11.129 2.045) 11.327 5.317 ( -4.311 -2.916 -4.265) 6.729 5.586 ( -8.958 18.448 0.114) 20.508 5.747 ( -2.292 -2.444 6.369) 7.197 6.071 ( -1.501 4.721 -0.135) 4.956 6.171 ( 7.071 -0.362 -0.170) 7.082 6.177 ( -1.111 2.770 0.859) 3.106 6.532 ( -0.877 1.498 3.382) 3.802 6.536 ( -2.867 1.559 2.289) 3.986 6.816 ( -1.663 4.199 1.641) 4.805 6.891 ( -3.654 1.886 4.247) 5.912 6.936 ( 1.458 3.564 -3.097) 4.942 7.535 ( -3.713 -0.237 -9.162) 9.889 7.911 ( 1.811 3.878 3.803) 5.725 7.964 ( -1.422 1.276 -2.729) 3.332 8.192 ( 2.291 6.558 -3.192) 7.645 8.931 ( 0.150 1.194 -0.918) 1.514 9.162 ( 0.162 1.623 -0.500) 1.706 10.033 ( 1.305 1.303 1.185) 2.192 10.141 ( 0.388 2.428 0.634) 2.539======================= Grid point 392 (173/189) =======================q-point: ( 0.46 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( 2.688 -8.553 -2.346) 9.268 0.952 ( 0.097 -4.064 -1.432) 4.310 1.039 ( 2.308 -4.724 -0.814) 5.320 1.086 ( -1.143 -0.907 -1.725) 2.259 1.182 ( -0.574 -1.670 0.108) 1.769 1.231 ( 1.093 -4.156 -1.474) 4.543 1.321 ( -0.126 -3.296 1.283) 3.539 1.339 ( -0.256 -1.577 2.440) 2.917 1.567 ( -1.341 -4.534 -2.904) 5.549 1.632 ( 0.304 -6.568 -0.318) 6.583 1.820 ( -2.425 -5.174 1.572) 5.926 1.911 ( -3.343 -3.099 1.537) 4.811 2.138 ( 0.673 -3.673 -2.914) 4.737 2.337 ( 2.104 -15.048 -1.419) 15.261 2.481 ( -0.391 -1.620 2.468) 2.978 2.621 ( -0.809 1.411 4.794) 5.062 2.685 ( 1.598 -1.256 0.784) 2.179 2.801 ( 0.893 -2.515 -3.228) 4.189 4.349 ( 2.434 13.644 4.208) 14.485 4.408 ( 0.574 14.018 4.431) 14.713 4.651 ( -5.693 14.621 0.841) 15.712 4.865 ( -8.726 2.204 -0.275) 9.004 5.018 ( -6.028 2.683 -5.617) 8.666 5.171 ( -5.679 5.744 -1.045) 8.145 5.380 ( -11.158 -7.648 -3.210) 13.903 5.854 ( -2.192 -4.894 4.733) 7.152 5.995 ( -0.516 2.823 1.598) 3.285 6.162 ( -0.644 -0.506 -2.518) 2.648 6.238 ( 4.893 -2.799 0.691) 5.679 6.472 ( -4.823 0.895 -2.756) 5.627 6.539 ( 1.751 1.102 6.627) 6.942 6.712 ( -0.478 5.036 1.592) 5.304 6.840 ( -1.127 1.105 -2.648) 3.082 6.905 ( -1.872 -0.472 0.996) 2.173 7.519 ( -2.066 -1.565 -4.243) 4.972 7.801 ( 0.112 7.964 0.981) 8.025 7.966 ( -0.267 -1.766 -1.886) 2.597 8.085 ( 1.883 5.010 -0.395) 5.367 8.913 ( 1.147 0.871 0.019) 1.441 9.133 ( 0.478 1.345 -0.418) 1.487 10.014 ( 0.442 1.433 0.643) 1.632 10.106 ( 0.492 1.716 0.397) 1.829======================= Grid point 393 (174/189) =======================q-point: ( 0.54 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.988 ( -1.178 -3.812 -0.379) 4.008 1.031 ( -2.335 -4.501 -0.337) 5.082 1.090 ( -0.333 -1.124 -1.251) 1.715 1.136 ( 0.919 -4.003 -1.783) 4.477 1.227 ( 0.011 -3.980 -0.534) 4.016 1.327 ( 1.470 -4.554 0.083) 4.786 1.359 ( -1.132 -2.235 0.977) 2.690 1.404 ( 0.053 -4.076 -0.179) 4.081 1.636 ( 0.922 -3.361 1.718) 3.885 1.727 ( -0.269 -3.401 -1.394) 3.685 1.850 ( -2.444 -0.418 -0.001) 2.480 1.901 ( -1.935 0.746 -0.114) 2.077 2.192 ( 0.621 0.696 0.097) 0.938 2.377 ( -0.065 10.264 2.844) 10.651 2.533 ( 0.048 -4.863 -3.254) 5.852 2.679 ( 0.079 -9.477 -0.579) 9.495 2.824 ( -0.801 -7.464 5.220) 9.143 2.894 ( 1.532 -6.097 -2.680) 6.834 4.099 ( 1.123 11.529 1.206) 11.646 4.177 ( -3.360 9.637 3.917) 10.931 4.342 ( -9.659 10.105 2.102) 14.136 4.575 ( -5.733 14.357 -1.723) 15.555 4.985 ( -7.824 -3.679 -2.689) 9.054 5.067 ( -4.824 3.265 -3.471) 6.780 5.533 ( -5.836 -10.404 0.317) 11.933 5.878 ( -5.325 0.508 1.076) 5.456 5.987 ( 2.375 -0.259 4.642) 5.221 6.159 ( -2.615 -1.194 -4.013) 4.936 6.307 ( 1.652 -2.157 0.046) 2.717 6.426 ( -3.398 0.255 -2.622) 4.299 6.540 ( 1.557 1.742 2.153) 3.177 6.645 ( 1.464 2.192 1.168) 2.883 6.849 ( -0.346 -1.025 0.914) 1.416 6.908 ( -1.426 -0.078 -0.019) 1.429 7.534 ( -0.207 -1.134 -1.694) 2.049 7.637 ( -1.574 7.892 -0.773) 8.085 7.992 ( 1.955 0.386 -1.085) 2.269 8.031 ( -0.581 0.249 0.867) 1.073 8.909 ( 1.635 0.530 0.770) 1.883 9.112 ( 0.526 1.100 -0.289) 1.253 9.990 ( -0.125 1.240 0.006) 1.246 10.082 ( 0.288 1.130 0.258) 1.195======================= Grid point 394 (175/189) =======================q-point: ( 0.62 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.049 ( -1.028 -3.564 0.084) 3.710 1.098 ( -2.187 -3.661 -0.411) 4.284 1.109 ( 0.671 -1.384 -0.321) 1.571 1.186 ( 0.093 -1.651 -0.420) 1.706 1.333 ( 0.472 -6.355 -0.642) 6.405 1.394 ( -0.482 -3.394 -0.068) 3.429 1.423 ( -0.571 -3.386 0.009) 3.434 1.493 ( -0.205 -5.207 0.193) 5.215 1.698 ( 1.751 -0.705 3.029) 3.569 1.759 ( -0.353 -0.712 -0.280) 0.843 1.830 ( 0.848 2.079 -0.496) 2.300 1.868 ( 0.395 2.773 -0.925) 2.950 2.138 ( 0.264 4.123 -0.994) 4.249 2.166 ( -2.472 10.153 1.412) 10.545 2.619 ( -0.016 -4.391 -0.563) 4.427 2.818 ( 0.671 -4.329 -0.946) 4.482 2.954 ( -1.181 -5.337 4.810) 7.281 2.997 ( 0.660 -4.403 -3.745) 5.818 4.012 ( 1.707 -2.558 -1.108) 3.269 4.072 ( -4.755 -1.595 2.856) 5.771 4.221 ( -6.133 -0.363 2.619) 6.679 4.361 ( -2.245 5.394 -1.636) 6.067 4.980 ( -2.780 0.517 0.775) 2.932 5.068 ( -4.578 -7.717 -3.692) 9.703 5.686 ( -3.505 -7.957 2.119) 8.949 5.837 ( -3.067 0.781 -0.212) 3.172 6.038 ( 1.973 -2.426 2.533) 4.024 6.151 ( -4.154 -1.088 -3.415) 5.487 6.354 ( 1.972 -1.777 0.877) 2.796 6.424 ( -1.425 -2.489 -2.559) 3.844 6.491 ( 1.050 3.452 -0.285) 3.619 6.646 ( 2.533 0.730 0.433) 2.671 6.812 ( -2.236 4.481 0.910) 5.090 6.890 ( -0.054 1.755 0.516) 1.830 7.478 ( 0.019 4.672 -1.068) 4.792 7.575 ( -0.770 -1.170 -0.036) 1.401 7.971 ( 0.893 1.285 -0.375) 1.609 8.050 ( -0.346 -0.854 0.452) 1.026 8.911 ( 1.378 0.431 1.119) 1.827 9.094 ( 0.345 1.009 -0.102) 1.071 9.967 ( -0.343 0.917 -0.347) 1.039 10.066 ( 0.101 0.736 0.114) 0.751======================= Grid point 395 (176/189) =======================q-point: ( 0.69 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.108 ( -0.296 -1.444 1.145) 1.867 1.111 ( 0.372 -0.835 -1.100) 1.430 1.173 ( -0.078 -3.454 -0.303) 3.468 1.208 ( 0.051 -0.755 0.169) 0.776 1.435 ( 0.034 -4.289 -0.347) 4.303 1.460 ( -0.441 -0.656 0.069) 0.794 1.497 ( -0.377 -7.727 0.245) 7.740 1.582 ( -0.063 -3.101 -0.138) 3.105 1.679 ( 0.649 3.897 1.007) 4.077 1.736 ( 0.253 3.693 0.719) 3.771 1.788 ( 0.979 3.346 2.347) 4.203 1.816 ( 0.865 0.284 -1.653) 1.887 1.981 ( -1.455 5.540 -1.446) 5.907 2.072 ( -0.498 3.645 -0.057) 3.679 2.691 ( 0.038 -3.233 -0.036) 3.233 2.864 ( 0.187 -0.853 -0.298) 0.923 3.026 ( -0.394 -0.501 0.348) 0.726 3.060 ( -0.028 -3.619 -0.610) 3.670 4.141 ( 0.635 -7.201 0.330) 7.237 4.241 ( -0.065 -14.010 0.031) 14.011 4.265 ( 0.216 -4.982 4.012) 6.401 4.313 ( -2.110 -3.369 -2.320) 4.603 4.988 ( -0.879 -2.019 0.181) 2.210 5.232 ( -1.200 -10.997 -0.698) 11.084 5.794 ( 0.745 -0.994 2.457) 2.753 5.839 ( -3.084 -5.276 -2.216) 6.501 6.084 ( 0.085 -0.169 -0.743) 0.767 6.163 ( -1.659 -3.552 -0.474) 3.948 6.393 ( 2.305 -0.464 1.488) 2.783 6.428 ( -0.291 1.983 -1.633) 2.586 6.500 ( 0.721 -4.213 -0.780) 4.345 6.614 ( 3.582 4.263 -0.420) 5.584 6.694 ( -4.341 4.987 0.152) 6.614 6.847 ( -0.050 2.008 0.519) 2.075 7.448 ( 0.095 -1.722 0.044) 1.725 7.594 ( 0.003 -0.843 0.195) 0.865 7.958 ( 0.406 0.298 -0.353) 0.615 8.045 ( -0.351 1.283 0.200) 1.345 8.913 ( 0.654 0.279 0.890) 1.139 9.077 ( 0.100 0.798 0.035) 0.805 9.950 ( -0.254 0.584 -0.340) 0.722 10.055 ( 0.004 0.432 0.009) 0.432======================= Grid point 396 (177/189) =======================q-point: (-0.23 0.23 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.097 ( 0.000 0.814 -0.000) 0.814 1.142 ( -0.000 -0.861 0.000) 0.861 1.214 ( 0.000 0.330 -0.000) 0.330 1.229 ( 0.000 -2.520 0.000) 2.520 1.434 ( 0.000 3.122 0.000) 3.122 1.518 ( 0.000 -3.434 0.000) 3.434 1.565 ( 0.000 4.943 -0.000) 4.943 1.566 ( -0.000 4.728 0.000) 4.728 1.672 ( 0.000 1.817 0.000) 1.817 1.673 ( -0.000 -5.910 -0.000) 5.910 1.739 ( -0.000 0.264 -0.000) 0.264 1.866 ( 0.000 -4.711 0.000) 4.711 1.964 ( -0.000 -3.858 0.000) 3.858 2.024 ( -0.000 0.097 -0.000) 0.097 2.735 ( -0.000 -1.095 0.000) 1.095 2.848 ( -0.000 2.798 0.000) 2.798 2.996 ( 0.000 3.218 -0.000) 3.218 3.081 ( -0.000 2.143 0.000) 2.143 4.201 ( -0.000 0.449 0.000) 0.449 4.291 ( 0.000 -0.257 -0.000) 0.257 4.515 ( 0.000 -16.390 0.000) 16.390 4.590 ( -0.000 -16.604 0.000) 16.604 5.044 ( -0.000 -4.292 0.000) 4.292 5.434 ( 0.000 -9.401 0.000) 9.401 5.785 ( 0.000 1.336 0.000) 1.336 5.924 ( -0.000 -2.876 0.000) 2.876 6.074 ( -0.000 0.146 -0.000) 0.146 6.227 ( -0.000 -2.437 0.000) 2.437 6.374 ( 0.000 1.998 0.000) 1.998 6.418 ( -0.000 0.005 0.000) 0.005 6.518 ( 0.000 2.195 0.000) 2.195 6.529 ( -0.000 5.108 -0.000) 5.108 6.682 ( -0.000 -5.551 0.000) 5.551 6.843 ( 0.000 -1.325 0.000) 1.325 7.523 ( -0.000 -5.393 0.000) 5.393 7.609 ( -0.000 -0.785 0.000) 0.785 7.962 ( -0.000 -0.433 0.000) 0.433 8.003 ( 0.000 2.735 0.000) 2.735 8.915 ( 0.000 -0.181 0.000) 0.181 9.067 ( 0.000 0.233 0.000) 0.233 9.940 ( 0.000 0.356 0.000) 0.356 10.049 ( -0.000 0.170 0.000) 0.170======================= Grid point 404 (178/189) =======================q-point: ( 0.31 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.418 ( 8.683 0.000 -13.942) 16.425 0.669 ( 6.871 0.000 0.259) 6.876 0.781 ( 9.903 0.000 -0.670) 9.925 0.944 ( 3.649 0.000 1.548) 3.964 1.067 ( 15.380 0.000 -2.898) 15.651 1.085 ( -3.279 -0.000 0.247) 3.288 1.146 ( -1.249 -0.000 -7.450) 7.554 1.219 ( -3.241 -0.000 0.499) 3.279 1.297 ( -4.708 -0.000 0.180) 4.712 1.315 ( -1.205 -0.000 0.264) 1.234 1.469 ( -4.115 -0.000 0.581) 4.156 1.562 ( -0.425 -0.000 -0.111) 0.439 1.564 ( 0.505 0.000 -0.782) 0.931 2.232 ( -8.994 -0.000 -1.550) 9.126 2.317 ( 6.560 0.000 9.064) 11.189 2.668 ( 0.107 0.000 4.808) 4.809 2.810 ( 1.818 0.000 -1.512) 2.364 2.988 ( 2.605 0.000 -3.117) 4.062 3.460 ( 2.620 0.000 8.528) 8.922 3.708 ( 10.677 0.000 -10.201) 14.767 4.639 ( 12.930 0.000 3.460) 13.385 5.000 ( 12.263 0.000 -1.609) 12.368 5.106 ( 8.531 0.000 -1.746) 8.708 5.324 ( 5.657 0.000 0.889) 5.727 6.074 ( 11.636 0.000 1.412) 11.722 6.075 ( -4.019 -0.000 0.566) 4.059 6.183 ( -3.468 -0.000 -0.420) 3.493 6.249 ( -0.545 -0.000 21.709) 21.715 6.256 ( -2.654 -0.000 -0.011) 2.654 6.360 ( -3.764 -0.000 -0.017) 3.764 6.593 ( -1.990 -0.000 -0.819) 2.153 6.856 ( -0.132 -0.000 4.014) 4.017 6.962 ( -1.387 -0.000 0.571) 1.500 7.030 ( 0.898 0.000 -1.812) 2.022 7.541 ( -5.372 -0.000 -16.239) 17.104 7.906 ( -2.010 -0.000 -2.671) 3.342 8.073 ( 2.521 0.000 3.922) 4.662 8.351 ( 1.209 0.000 -5.701) 5.828 8.958 ( -0.883 -0.000 -1.250) 1.530 9.203 ( -0.399 -0.000 -0.549) 0.679 10.064 ( 2.162 0.000 1.172) 2.459 10.211 ( -0.890 -0.000 1.174) 1.473======================= Grid point 405 (179/189) =======================q-point: ( 0.38 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( 10.251 -7.027 -4.823) 13.332 0.816 ( 7.275 -7.409 -2.098) 10.593 0.883 ( 5.641 -2.776 1.246) 6.409 0.993 ( -0.190 -5.295 -2.288) 5.771 1.092 ( -2.533 -2.183 -0.329) 3.360 1.143 ( 3.690 -3.833 -2.773) 6.000 1.169 ( -2.289 1.165 -0.471) 2.611 1.211 ( 5.917 -3.947 0.049) 7.113 1.330 ( -2.221 -5.865 2.595) 6.787 1.421 ( -2.538 -6.931 -1.705) 7.575 1.453 ( -0.873 -4.127 0.740) 4.282 1.588 ( 3.663 -5.746 -2.763) 7.353 1.719 ( -1.709 -12.213 1.385) 12.409 2.150 ( -9.796 1.416 -4.498) 10.872 2.366 ( 6.567 0.343 8.033) 10.382 2.659 ( -0.368 1.739 4.334) 4.684 2.768 ( 2.206 3.054 -1.172) 3.946 2.947 ( 2.402 4.120 -2.721) 5.491 3.836 ( -0.063 -29.371 6.268) 30.032 4.084 ( -1.258 -30.037 -6.697) 30.801 4.735 ( 11.215 0.471 5.062) 12.314 5.020 ( 11.202 3.033 -2.895) 11.961 5.183 ( 5.921 0.615 0.535) 5.977 5.303 ( 3.537 4.506 0.045) 5.728 5.855 ( -3.803 13.737 5.469) 15.267 5.903 ( -2.505 15.678 3.406) 16.239 6.166 ( -0.071 4.451 -0.413) 4.471 6.204 ( 6.996 -0.753 -0.063) 7.036 6.262 ( -3.326 6.085 0.219) 6.938 6.499 ( -3.781 -7.082 9.020) 12.075 6.562 ( -1.521 1.781 0.674) 2.438 6.854 ( -2.396 0.986 3.711) 4.526 6.931 ( -1.596 2.334 -0.374) 2.852 6.995 ( -0.367 2.728 -4.256) 5.068 7.472 ( -3.887 -0.518 -12.466) 13.068 7.901 ( -2.176 -1.504 -3.264) 4.201 8.059 ( 2.372 4.291 4.313) 6.530 8.300 ( 1.811 4.219 -4.133) 6.177 8.946 ( -0.233 0.586 -0.387) 0.739 9.188 ( -0.169 1.110 -0.381) 1.185 10.069 ( 1.726 1.052 1.151) 2.326 10.189 ( -0.280 1.982 0.744) 2.135======================= Grid point 406 (180/189) =======================q-point: ( 0.46 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 6.723 -9.236 -1.459) 11.517 0.917 ( 2.409 -0.713 -0.848) 2.652 0.961 ( 4.001 -4.997 -1.907) 6.680 1.059 ( -0.056 -1.302 -1.353) 1.879 1.140 ( -1.477 -4.321 -1.041) 4.683 1.156 ( -0.789 -1.071 -0.685) 1.497 1.271 ( 1.145 -2.317 0.178) 2.590 1.303 ( 1.539 -5.721 3.956) 7.124 1.426 ( -1.377 -5.508 -3.047) 6.443 1.500 ( -2.472 -7.412 -0.143) 7.814 1.683 ( 4.752 -9.835 3.526) 11.478 1.756 ( -1.168 -10.639 -0.977) 10.747 2.010 ( 1.478 -16.700 -1.081) 16.800 2.074 ( -8.194 -1.620 -3.394) 9.016 2.432 ( 3.116 -2.375 4.230) 5.766 2.652 ( 0.603 0.319 4.329) 4.382 2.726 ( 1.039 1.708 -0.439) 2.047 2.842 ( 1.188 6.639 -3.423) 7.563 4.391 ( -1.200 -21.973 4.195) 22.403 4.565 ( -3.812 -15.261 1.318) 15.785 4.707 ( 6.517 6.474 3.379) 9.788 4.951 ( 7.594 7.183 -6.550) 12.336 5.025 ( -1.594 16.155 2.478) 16.421 5.233 ( -6.502 0.405 -2.912) 7.135 5.484 ( -8.799 22.596 -0.792) 24.262 5.772 ( -0.230 -2.357 5.500) 5.988 6.073 ( 1.285 4.200 1.536) 4.653 6.173 ( -0.548 2.024 0.496) 2.155 6.252 ( 7.124 0.276 0.179) 7.131 6.464 ( -5.333 2.732 -1.904) 6.288 6.593 ( 1.032 0.154 7.391) 7.464 6.800 ( -2.328 3.890 0.418) 4.553 6.864 ( -2.348 2.932 -0.934) 3.870 6.913 ( -1.892 2.966 -3.509) 4.969 7.453 ( -2.299 -2.100 -6.261) 6.992 7.917 ( -1.177 -2.041 -2.276) 3.276 7.963 ( 1.154 7.652 2.320) 8.078 8.202 ( 1.879 5.802 -1.509) 6.282 8.933 ( 0.494 0.717 0.226) 0.900 9.161 ( 0.135 1.439 -0.253) 1.467 10.051 ( 0.773 1.767 0.730) 2.062 10.148 ( 0.261 2.253 0.373) 2.299======================= Grid point 407 (181/189) =======================q-point: ( 0.54 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.901 ( 2.634 -6.575 -0.854) 7.134 0.948 ( 0.041 -2.332 -0.542) 2.394 1.053 ( 1.268 -4.020 -1.490) 4.471 1.065 ( -0.922 -0.635 -0.598) 1.270 1.176 ( -0.583 -1.703 -0.055) 1.801 1.236 ( 1.055 -5.491 -0.900) 5.663 1.329 ( -0.007 -2.674 1.690) 3.163 1.350 ( 0.344 -0.641 0.731) 1.031 1.543 ( -0.437 -6.721 -1.340) 6.868 1.628 ( -0.549 -5.927 -0.454) 5.970 1.809 ( -0.990 -2.754 1.241) 3.179 1.877 ( -3.437 -2.138 0.308) 4.059 2.133 ( 0.671 -7.633 -1.444) 7.798 2.356 ( 2.117 -15.606 -0.600) 15.760 2.485 ( -0.927 -0.786 1.250) 1.743 2.637 ( -0.344 7.761 2.829) 8.268 2.709 ( 1.259 -3.734 1.630) 4.264 2.787 ( 0.227 -4.197 -3.261) 5.320 4.413 ( 3.915 16.339 5.314) 17.622 4.454 ( 2.871 16.986 3.196) 17.521 4.593 ( -6.185 17.382 0.647) 18.461 4.790 ( -4.825 -0.041 0.990) 4.926 4.906 ( -5.920 9.345 -7.563) 13.401 5.123 ( -2.987 5.089 -0.034) 5.901 5.266 ( -5.937 -11.736 -2.194) 13.334 5.837 ( -2.985 -2.297 1.067) 3.915 6.042 ( 3.901 1.823 4.810) 6.455 6.140 ( -0.866 1.226 -2.355) 2.792 6.287 ( 3.479 -0.900 0.486) 3.627 6.395 ( -5.568 0.744 -2.735) 6.248 6.603 ( 2.766 1.875 4.591) 5.679 6.711 ( -1.146 4.021 1.103) 4.324 6.818 ( 0.389 -0.650 -2.462) 2.576 6.876 ( -3.076 -1.084 -0.770) 3.351 7.480 ( -1.191 -2.886 -2.422) 3.951 7.804 ( -0.099 9.383 0.271) 9.387 7.955 ( -0.061 -2.802 -1.075) 3.002 8.101 ( 1.098 5.154 0.096) 5.271 8.927 ( 0.920 0.438 0.569) 1.167 9.136 ( 0.272 1.237 -0.185) 1.280 10.019 ( 0.110 1.798 0.191) 1.812 10.112 ( 0.269 1.746 0.202) 1.778======================= Grid point 408 (182/189) =======================q-point: ( 0.62 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( 0.002 -2.894 -0.044) 2.895 1.006 ( -1.526 -3.786 -0.240) 4.089 1.084 ( 0.113 -1.566 -0.465) 1.637 1.136 ( 0.304 -3.914 -0.562) 3.966 1.224 ( -0.074 -4.225 -0.291) 4.236 1.340 ( 0.801 -4.637 -0.130) 4.708 1.356 ( -0.416 -1.193 0.683) 1.436 1.402 ( -0.059 -4.018 -0.288) 4.028 1.663 ( 1.786 -4.881 2.137) 5.620 1.704 ( -1.832 -3.432 -1.958) 4.355 1.832 ( -0.793 -0.997 -0.032) 1.275 1.887 ( -0.641 -0.412 0.083) 0.766 2.198 ( 0.353 1.747 0.038) 1.783 2.384 ( -0.374 11.697 0.962) 11.743 2.525 ( 0.468 -4.822 -1.036) 4.954 2.675 ( -0.184 -10.563 -0.201) 10.567 2.844 ( -0.262 -7.124 2.755) 7.643 2.890 ( 0.537 -5.924 -1.932) 6.254 4.133 ( 3.818 13.703 -0.163) 14.226 4.167 ( -2.548 12.213 3.151) 12.868 4.260 ( -5.581 9.244 0.041) 10.798 4.533 ( -1.494 13.791 0.065) 13.872 4.904 ( -3.326 -5.636 -1.947) 6.828 5.018 ( -1.764 4.000 -1.055) 4.497 5.490 ( -1.996 -11.327 0.056) 11.502 5.835 ( -2.220 0.309 -0.012) 2.242 6.051 ( 3.093 0.827 4.366) 5.414 6.111 ( -2.401 0.114 -3.059) 3.890 6.325 ( 1.610 -1.858 0.123) 2.461 6.368 ( -3.174 -1.359 -2.167) 4.076 6.569 ( 1.085 3.767 0.932) 4.029 6.663 ( 0.574 0.702 0.572) 1.072 6.851 ( -0.064 -0.535 0.670) 0.860 6.891 ( -0.872 -1.298 -0.548) 1.657 7.527 ( 0.031 -2.572 -0.559) 2.633 7.620 ( -0.738 9.037 -0.377) 9.075 8.007 ( 1.607 -1.380 -0.697) 2.230 8.025 ( -1.078 2.035 0.646) 2.392 8.927 ( 0.713 0.315 0.511) 0.932 9.115 ( 0.183 1.065 -0.091) 1.085 9.988 ( -0.105 1.451 -0.084) 1.457 10.085 ( 0.102 1.197 0.088) 1.204======================= Grid point 409 (183/189) =======================q-point: ( 0.69 0.31 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.044 ( -0.000 -3.771 0.000) 3.771 1.084 ( -0.000 -4.055 -0.000) 4.055 1.112 ( -0.000 -1.601 -0.000) 1.601 1.185 ( -0.000 -1.657 0.000) 1.657 1.334 ( -0.000 -6.494 0.000) 6.494 1.391 ( -0.000 -2.976 0.000) 2.976 1.420 ( -0.000 -3.194 -0.000) 3.194 1.492 ( -0.000 -5.254 -0.000) 5.254 1.720 ( -0.000 0.001 -0.000) 0.001 1.753 ( -0.000 -2.028 0.000) 2.028 1.834 ( -0.000 1.089 -0.000) 1.089 1.868 ( -0.000 2.887 0.000) 2.887 2.137 ( 0.000 3.373 -0.000) 3.373 2.155 ( -0.000 11.557 0.000) 11.557 2.618 ( -0.000 -4.427 0.000) 4.427 2.819 ( 0.000 -4.311 -0.000) 4.311 2.967 ( -0.000 -5.426 -0.000) 5.426 2.985 ( -0.000 -3.857 0.000) 3.857 4.032 ( 0.000 -3.466 -0.000) 3.466 4.042 ( -0.000 -0.658 0.000) 0.658 4.191 ( -0.000 -1.684 0.000) 1.684 4.347 ( -0.000 5.501 -0.000) 5.501 4.968 ( 0.000 0.434 -0.000) 0.434 5.030 ( -0.000 -8.935 0.000) 8.935 5.673 ( -0.000 -8.698 0.000) 8.698 5.818 ( -0.000 0.797 -0.000) 0.797 6.086 ( 0.000 -2.558 0.000) 2.558 6.089 ( -0.000 0.169 -0.000) 0.169 6.381 ( -0.000 -1.322 -0.000) 1.322 6.393 ( 0.000 -4.121 0.000) 4.121 6.498 ( -0.000 3.469 0.000) 3.469 6.663 ( -0.000 0.519 0.000) 0.519 6.801 ( 0.000 5.393 0.000) 5.393 6.891 ( -0.000 1.465 -0.000) 1.465 7.475 ( -0.000 4.829 -0.000) 4.829 7.570 ( -0.000 -1.753 0.000) 1.753 7.976 ( -0.000 1.559 0.000) 1.559 8.049 ( -0.000 -0.964 -0.000) 0.964 8.923 ( -0.000 0.394 0.000) 0.394 9.096 ( -0.000 1.009 0.000) 1.009 9.964 ( -0.000 0.998 -0.000) 0.998 10.067 ( -0.000 0.778 0.000) 0.778======================= Grid point 419 (184/189) =======================q-point: ( 0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.511 ( 13.893 0.000 -0.238) 13.895 0.737 ( 5.234 0.000 0.148) 5.236 0.874 ( 7.671 0.000 -0.631) 7.697 0.933 ( -4.101 -0.000 -4.383) 6.003 1.053 ( -2.568 -0.000 0.341) 2.591 1.123 ( 4.256 0.000 -1.956) 4.683 1.177 ( -4.649 -0.000 0.299) 4.659 1.219 ( 9.439 0.000 0.511) 9.453 1.259 ( -2.346 -0.000 1.278) 2.672 1.310 ( -0.195 -0.000 0.395) 0.440 1.420 ( -3.926 -0.000 -1.231) 4.115 1.564 ( 0.268 0.000 -0.722) 0.771 1.584 ( 5.206 0.000 0.021) 5.206 2.084 ( -13.209 -0.000 -4.526) 13.963 2.439 ( 5.390 0.000 6.657) 8.565 2.696 ( -0.756 -0.000 5.340) 5.393 2.811 ( 0.901 0.000 -2.849) 2.988 2.993 ( 1.850 0.000 -2.670) 3.248 3.547 ( 2.516 0.000 10.534) 10.830 3.736 ( 6.546 0.000 -12.043) 13.707 4.789 ( 9.972 0.000 3.504) 10.570 5.114 ( 9.824 0.000 -1.778) 9.984 5.216 ( 9.785 0.000 2.111) 10.011 5.390 ( 3.938 0.000 2.756) 4.807 6.033 ( -3.746 -0.000 0.091) 3.747 6.155 ( -1.409 -0.000 -0.035) 1.410 6.204 ( 9.238 0.000 3.141) 9.757 6.227 ( -2.394 -0.000 0.027) 2.394 6.316 ( -4.059 -0.000 -0.035) 4.059 6.341 ( -2.272 -0.000 14.817) 14.991 6.574 ( -1.555 -0.000 0.970) 1.833 6.857 ( -2.778 -0.000 1.088) 2.983 6.944 ( -0.572 -0.000 -3.087) 3.140 6.997 ( -2.509 -0.000 -4.965) 5.563 7.411 ( -2.317 -0.000 -10.691) 10.940 7.858 ( -2.227 -0.000 -3.965) 4.547 8.131 ( 2.446 0.000 4.799) 5.386 8.338 ( 1.435 0.000 -3.853) 4.112 8.949 ( -0.213 -0.000 0.001) 0.213 9.196 ( -0.249 -0.000 -0.293) 0.384 10.093 ( 1.674 0.000 1.017) 1.959 10.208 ( -0.548 -0.000 0.646) 0.847======================= Grid point 420 (185/189) =======================q-point: ( 0.46 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 10.708 -4.390 2.016) 11.747 0.850 ( -0.927 -4.676 -2.555) 5.409 0.921 ( 2.606 -4.268 -2.760) 5.712 0.990 ( 3.522 -6.447 0.388) 7.357 1.060 ( -2.337 -1.317 0.161) 2.688 1.131 ( -3.660 -0.272 -1.074) 3.824 1.193 ( 5.235 -4.410 0.190) 6.848 1.245 ( 1.177 -0.864 -0.483) 1.538 1.321 ( -3.084 -6.438 1.671) 7.331 1.389 ( -1.598 -0.308 -0.509) 1.705 1.468 ( 1.014 -12.779 2.479) 13.056 1.650 ( 10.646 -3.658 -1.592) 11.369 1.707 ( -1.309 -12.595 0.582) 12.676 1.995 ( -13.032 -0.159 -4.547) 13.803 2.461 ( 3.884 1.241 4.011) 5.720 2.680 ( -0.383 1.737 3.688) 4.094 2.774 ( 0.797 2.596 -1.836) 3.278 2.954 ( 1.417 4.222 -1.750) 4.785 3.885 ( 0.900 -26.317 8.110) 27.553 4.026 ( -0.723 -26.693 -8.835) 28.127 4.880 ( 8.646 -1.130 5.082) 10.092 5.103 ( 6.498 5.185 -3.297) 8.943 5.242 ( 3.676 4.484 0.799) 5.853 5.335 ( 1.806 8.504 0.881) 8.738 5.824 ( -4.519 16.167 1.353) 16.841 5.915 ( -0.290 15.346 4.871) 16.103 6.163 ( 0.453 3.271 0.393) 3.325 6.227 ( -2.883 4.654 -0.310) 5.484 6.295 ( 7.498 -0.864 0.590) 7.571 6.472 ( -4.706 -1.070 1.254) 4.986 6.584 ( -0.527 -2.562 6.495) 7.001 6.829 ( -3.599 1.130 -1.230) 3.968 6.908 ( -0.289 2.342 -3.400) 4.139 6.949 ( -2.299 2.366 -3.174) 4.577 7.390 ( -1.007 -1.332 -5.745) 5.983 7.859 ( -1.477 -2.076 -2.699) 3.712 8.106 ( 1.555 5.047 3.235) 6.193 8.298 ( 1.191 3.619 -2.179) 4.389 8.946 ( 0.073 0.335 0.231) 0.414 9.185 ( -0.085 0.971 -0.161) 0.988 10.089 ( 0.952 1.388 0.662) 1.809 10.190 ( -0.150 1.729 0.345) 1.770======================= Grid point 421 (186/189) =======================q-point: ( 0.54 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 339Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.786 ( 4.833 -6.499 0.647) 8.124 0.891 ( -3.274 -3.801 -1.422) 5.215 1.016 ( 6.031 -1.197 -1.364) 6.298 1.054 ( -1.386 0.201 0.255) 1.423 1.121 ( -0.931 -6.585 -0.083) 6.651 1.141 ( -1.042 -1.852 -0.369) 2.157 1.280 ( 0.443 -2.741 -0.003) 2.776 1.348 ( 1.580 -3.558 4.547) 5.986 1.390 ( -0.971 -4.693 -4.392) 6.501 1.477 ( -1.457 -9.859 0.279) 9.970 1.745 ( -0.370 -10.654 -0.045) 10.660 1.767 ( 5.260 -3.762 3.508) 7.357 1.958 ( -5.673 -5.986 -5.023) 9.656 2.021 ( -0.472 -18.272 0.864) 18.299 2.474 ( 1.185 -0.301 1.389) 1.851 2.684 ( 0.815 -1.235 3.243) 3.564 2.723 ( -0.271 1.747 -1.585) 2.375 2.836 ( 0.515 8.060 -1.473) 8.209 4.410 ( 0.027 -22.233 2.903) 22.422 4.525 ( -2.064 -22.682 -1.340) 22.816 4.813 ( 6.078 16.191 4.198) 17.797 4.961 ( -0.102 8.782 -4.856) 10.036 5.029 ( 0.763 21.358 1.062) 21.398 5.163 ( -3.102 1.860 -0.811) 3.707 5.401 ( -4.408 22.578 -0.538) 23.010 5.795 ( 0.047 -0.087 1.961) 1.964 6.109 ( 2.279 2.719 1.660) 3.917 6.167 ( -0.808 1.637 -0.120) 1.829 6.322 ( 5.067 1.285 0.493) 5.250 6.398 ( -4.864 3.298 -0.910) 5.947 6.639 ( 0.697 -0.701 3.680) 3.810 6.776 ( -1.162 2.492 -1.106) 2.963 6.840 ( -0.567 3.138 -1.208) 3.410 6.870 ( -1.897 3.093 -1.716) 4.014 7.412 ( -0.609 -2.602 -2.011) 3.345 7.895 ( -0.510 -2.648 -1.092) 2.909 7.984 ( 0.481 8.543 1.000) 8.615 8.211 ( 0.706 5.388 -0.402) 5.449 8.940 ( 0.250 0.407 0.240) 0.534 9.161 ( 0.052 1.335 -0.072) 1.338 10.059 ( 0.233 2.093 0.230) 2.118 10.151 ( 0.098 2.151 0.121) 2.157======================= Grid point 422 (187/189) =======================q-point: ( 0.62 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.916 ( -0.000 -5.053 0.000) 5.053 0.945 ( -0.000 -2.629 0.000) 2.629 1.052 ( 0.000 -1.414 -0.000) 1.414 1.061 ( -0.000 -2.555 0.000) 2.555 1.172 ( -0.000 -1.805 -0.000) 1.805 1.239 ( -0.000 -5.859 0.000) 5.859 1.336 ( -0.000 -2.970 -0.000) 2.970 1.354 ( -0.000 0.470 0.000) 0.470 1.538 ( -0.000 -8.202 0.000) 8.202 1.622 ( -0.000 -5.140 0.000) 5.140 1.810 ( -0.000 -0.876 -0.000) 0.876 1.855 ( -0.000 -2.889 0.000) 2.889 2.133 ( -0.000 -9.296 -0.000) 9.296 2.367 ( -0.000 -16.248 0.000) 16.248 2.482 ( -0.000 -0.029 0.000) 0.029 2.645 ( -0.000 10.341 -0.000) 10.341 2.725 ( -0.000 -4.170 0.000) 4.170 2.775 ( -0.000 -5.419 0.000) 5.419 4.468 ( -0.000 18.105 0.000) 18.105 4.495 ( -0.000 18.682 -0.000) 18.682 4.535 ( 0.000 18.496 0.000) 18.496 4.772 ( -0.000 -6.163 -0.000) 6.163 4.837 ( -0.000 14.910 0.000) 14.910 5.105 ( -0.000 5.667 0.000) 5.667 5.228 ( -0.000 -13.401 0.000) 13.401 5.822 ( -0.000 -1.222 0.000) 1.222 6.099 ( -0.000 0.225 -0.000) 0.225 6.114 ( 0.000 3.023 0.000) 3.023 6.326 ( -0.000 1.387 -0.000) 1.387 6.332 ( 0.000 -0.409 0.000) 0.409 6.637 ( 0.000 2.150 0.000) 2.150 6.705 ( -0.000 3.743 0.000) 3.743 6.818 ( -0.000 -1.632 -0.000) 1.632 6.848 ( -0.000 -1.651 -0.000) 1.651 7.466 ( -0.000 -3.287 0.000) 3.287 7.804 ( -0.000 9.846 0.000) 9.846 7.952 ( -0.000 -3.146 0.000) 3.146 8.108 ( -0.000 5.244 -0.000) 5.244 8.935 ( 0.000 0.253 0.000) 0.253 9.137 ( -0.000 1.202 0.000) 1.202 10.020 ( -0.000 1.941 -0.000) 1.941 10.114 ( -0.000 1.758 0.000) 1.758======================= Grid point 434 (188/189) =======================q-point: ( 0.46 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 189Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.674 ( 11.894 0.000 4.785) 12.820 0.780 ( 2.155 0.000 0.027) 2.155 0.829 ( -8.339 -0.000 -5.887) 10.208 0.932 ( 2.872 0.000 -0.311) 2.888 1.040 ( 0.064 0.000 0.223) 0.232 1.131 ( -3.284 -0.000 0.093) 3.286 1.169 ( 3.159 0.000 0.407) 3.185 1.239 ( 0.120 0.000 0.176) 0.213 1.282 ( -0.280 -0.000 0.401) 0.489 1.311 ( 0.025 0.000 0.193) 0.195 1.386 ( -1.203 -0.000 0.163) 1.214 1.562 ( 0.078 0.000 -0.297) 0.307 1.690 ( 12.567 0.000 0.830) 12.595 1.903 ( -14.177 -0.000 -3.459) 14.593 2.507 ( 2.057 0.000 2.142) 2.970 2.715 ( -0.650 -0.000 3.139) 3.206 2.800 ( 0.298 0.000 -2.268) 2.287 2.997 ( 0.769 0.000 -0.898) 1.183 3.636 ( 0.942 0.000 11.873) 11.910 3.708 ( 2.228 0.000 -12.490) 12.688 4.884 ( 3.923 0.000 1.616) 4.242 5.182 ( 3.791 0.000 -0.906) 3.897 5.311 ( 4.592 0.000 0.930) 4.685 5.435 ( 1.257 0.000 1.856) 2.241 6.002 ( -1.643 -0.000 -0.013) 1.643 6.148 ( -0.154 -0.000 0.005) 0.154 6.208 ( -0.948 -0.000 0.044) 0.949 6.280 ( -1.950 -0.000 -0.022) 1.950 6.306 ( 5.010 0.000 3.383) 6.045 6.377 ( -2.071 -0.000 4.032) 4.532 6.573 ( -0.793 -0.000 2.751) 2.863 6.805 ( -2.826 -0.000 -4.816) 5.584 6.919 ( 0.160 0.000 -2.842) 2.847 6.956 ( -1.472 -0.000 -0.219) 1.488 7.361 ( -0.136 -0.000 -2.882) 2.886 7.823 ( -0.837 -0.000 -1.641) 1.842 8.173 ( 0.974 0.000 2.137) 2.349 8.332 ( 0.541 0.000 -1.508) 1.602 8.949 ( 0.006 0.000 0.163) 0.163 9.194 ( -0.086 -0.000 -0.086) 0.121 10.110 ( 0.615 0.000 0.374) 0.720 10.207 ( -0.202 -0.000 0.199) 0.283======================= Grid point 435 (189/189) =======================q-point: ( 0.54 0.46 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 6.53e-05 6.53e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( -0.000 -1.185 0.000) 1.185 0.791 ( -0.000 -3.490 0.000) 3.490 0.935 ( 0.000 -10.717 -0.000) 10.717 1.014 ( -0.000 -3.503 0.000) 3.503 1.073 ( -0.000 -3.866 -0.000) 3.866 1.081 ( 0.000 2.328 0.000) 2.328 1.230 ( -0.000 -3.061 0.000) 3.061 1.253 ( -0.000 -2.945 -0.000) 2.945 1.296 ( 0.000 -5.407 0.000) 5.407 1.379 ( -0.000 0.422 0.000) 0.422 1.483 ( -0.000 -13.717 -0.000) 13.717 1.701 ( -0.000 -12.968 0.000) 12.968 1.761 ( -0.000 -2.030 0.000) 2.030 1.854 ( -0.000 -1.454 0.000) 1.454 2.495 ( -0.000 1.526 0.000) 1.526 2.690 ( -0.000 1.596 0.000) 1.596 2.771 ( -0.000 2.425 0.000) 2.425 2.957 ( -0.000 4.283 0.000) 4.283 3.935 ( -0.000 -24.134 -0.000) 24.134 3.976 ( 0.000 -26.699 0.000) 26.699 4.952 ( -0.000 -4.376 -0.000) 4.376 5.123 ( -0.000 8.884 0.000) 8.884 5.265 ( -0.000 6.233 0.000) 6.233 5.350 ( -0.000 9.633 -0.000) 9.633 5.799 ( 0.000 18.297 0.000) 18.297 5.932 ( -0.000 14.371 0.000) 14.371 6.176 ( -0.000 0.286 -0.000) 0.286 6.201 ( 0.000 5.599 0.000) 5.599 6.349 ( -0.000 -0.685 -0.000) 0.685 6.440 ( 0.000 0.678 0.000) 0.678 6.606 ( -0.000 -3.148 0.000) 3.148 6.792 ( -0.000 0.247 0.000) 0.247 6.895 ( -0.000 2.250 -0.000) 2.250 6.927 ( -0.000 2.582 0.000) 2.582 7.369 ( -0.000 -1.349 0.000) 1.349 7.843 ( -0.000 -2.271 0.000) 2.271 8.126 ( -0.000 5.399 -0.000) 5.399 8.298 ( -0.000 3.349 0.000) 3.349 8.947 ( -0.000 0.256 0.000) 0.256 9.184 ( -0.000 0.922 0.000) 0.922 10.097 ( -0.000 1.539 -0.000) 1.539 10.190 ( -0.000 1.631 0.000) 1.631=================== 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 3/28392 10.0 34.729 63.817 52.970 0.000 9.626 0.000 3/28392 20.0 11.262 29.178 16.901 0.000 2.198 0.000 3/28392 30.0 6.454 18.754 9.726 0.000 1.239 0.000 3/28392 40.0 4.518 13.736 6.818 0.000 0.876 0.000 3/28392 50.0 3.471 10.710 5.223 0.000 0.675 0.000 3/28392 60.0 2.815 8.696 4.216 0.000 0.546 0.000 3/28392 70.0 2.366 7.282 3.527 0.000 0.457 0.000 3/28392 80.0 2.040 6.247 3.029 0.000 0.392 0.000 3/28392 90.0 1.793 5.464 2.655 0.000 0.343 0.000 3/28392 100.0 1.600 4.853 2.364 0.000 0.305 0.000 3/28392 110.0 1.445 4.365 2.131 0.000 0.275 0.000 3/28392 120.0 1.317 3.967 1.940 0.000 0.250 0.000 3/28392 130.0 1.211 3.636 1.781 0.000 0.229 0.000 3/28392 140.0 1.120 3.356 1.647 0.000 0.211 0.000 3/28392 150.0 1.043 3.117 1.532 0.000 0.197 0.000 3/28392 160.0 0.975 2.910 1.432 0.000 0.184 0.000 3/28392 170.0 0.916 2.729 1.345 0.000 0.172 0.000 3/28392 180.0 0.864 2.570 1.268 0.000 0.162 0.000 3/28392 190.0 0.817 2.429 1.199 0.000 0.153 0.000 3/28392 200.0 0.776 2.302 1.138 0.000 0.145 0.000 3/28392 210.0 0.738 2.188 1.082 0.000 0.138 0.000 3/28392 220.0 0.704 2.086 1.032 0.000 0.132 0.000 3/28392 230.0 0.673 1.992 0.986 0.000 0.126 0.000 3/28392 240.0 0.644 1.907 0.944 0.000 0.120 0.000 3/28392 250.0 0.618 1.828 0.906 0.000 0.116 0.000 3/28392 260.0 0.594 1.756 0.871 0.000 0.111 0.000 3/28392 270.0 0.572 1.690 0.838 0.000 0.107 0.000 3/28392 280.0 0.551 1.628 0.808 0.000 0.103 0.000 3/28392 290.0 0.532 1.571 0.780 0.000 0.099 0.000 3/28392 300.0 0.514 1.517 0.753 0.000 0.096 0.000 3/28392 310.0 0.497 1.468 0.729 0.000 0.093 0.000 3/28392 320.0 0.482 1.421 0.706 0.000 0.090 0.000 3/28392 330.0 0.467 1.377 0.684 0.000 0.087 0.000 3/28392 340.0 0.453 1.336 0.664 0.000 0.085 0.000 3/28392 350.0 0.440 1.298 0.645 0.000 0.082 0.000 3/28392 360.0 0.428 1.261 0.627 0.000 0.080 0.000 3/28392 370.0 0.416 1.227 0.610 0.000 0.078 0.000 3/28392 380.0 0.405 1.194 0.594 0.000 0.076 0.000 3/28392 390.0 0.395 1.163 0.578 0.000 0.074 0.000 3/28392 400.0 0.385 1.134 0.564 0.000 0.072 0.000 3/28392 410.0 0.376 1.106 0.550 0.000 0.070 0.000 3/28392 420.0 0.367 1.079 0.537 0.000 0.068 0.000 3/28392 430.0 0.358 1.054 0.524 0.000 0.067 0.000 3/28392 440.0 0.350 1.030 0.512 0.000 0.065 0.000 3/28392 450.0 0.342 1.007 0.501 0.000 0.064 0.000 3/28392 460.0 0.335 0.985 0.490 0.000 0.062 0.000 3/28392 470.0 0.327 0.963 0.480 0.000 0.061 0.000 3/28392 480.0 0.321 0.943 0.470 0.000 0.060 0.000 3/28392 490.0 0.314 0.924 0.460 0.000 0.058 0.000 3/28392 500.0 0.308 0.905 0.451 0.000 0.057 0.000 3/28392 510.0 0.302 0.887 0.442 0.000 0.056 0.000 3/28392 520.0 0.296 0.870 0.433 0.000 0.055 0.000 3/28392 530.0 0.290 0.854 0.425 0.000 0.054 0.000 3/28392 540.0 0.285 0.838 0.417 0.000 0.053 0.000 3/28392 550.0 0.280 0.823 0.410 0.000 0.052 0.000 3/28392 560.0 0.275 0.808 0.402 0.000 0.051 0.000 3/28392 570.0 0.270 0.794 0.395 0.000 0.050 0.000 3/28392 580.0 0.265 0.780 0.388 0.000 0.049 0.000 3/28392 590.0 0.261 0.767 0.382 0.000 0.049 0.000 3/28392 600.0 0.256 0.754 0.375 0.000 0.048 0.000 3/28392 610.0 0.252 0.741 0.369 0.000 0.047 0.000 3/28392 620.0 0.248 0.729 0.363 0.000 0.046 0.000 3/28392 630.0 0.244 0.718 0.358 0.000 0.045 0.000 3/28392 640.0 0.240 0.706 0.352 0.000 0.045 0.000 3/28392 650.0 0.237 0.696 0.347 0.000 0.044 0.000 3/28392 660.0 0.233 0.685 0.341 0.000 0.043 0.000 3/28392 670.0 0.230 0.675 0.336 0.000 0.043 0.000 3/28392 680.0 0.226 0.665 0.331 0.000 0.042 0.000 3/28392 690.0 0.223 0.655 0.326 0.000 0.041 0.000 3/28392 700.0 0.220 0.646 0.322 0.000 0.041 0.000 3/28392 710.0 0.217 0.637 0.317 0.000 0.040 0.000 3/28392 720.0 0.214 0.628 0.313 0.000 0.040 0.000 3/28392 730.0 0.211 0.619 0.309 0.000 0.039 0.000 3/28392 740.0 0.208 0.611 0.304 0.000 0.039 0.000 3/28392 750.0 0.205 0.603 0.300 0.000 0.038 0.000 3/28392 760.0 0.202 0.595 0.296 0.000 0.038 0.000 3/28392 770.0 0.200 0.587 0.293 0.000 0.037 0.000 3/28392 780.0 0.197 0.579 0.289 0.000 0.037 0.000 3/28392 790.0 0.195 0.572 0.285 0.000 0.036 0.000 3/28392 800.0 0.192 0.565 0.282 0.000 0.036 0.000 3/28392 810.0 0.190 0.558 0.278 0.000 0.035 0.000 3/28392 820.0 0.188 0.551 0.275 0.000 0.035 0.000 3/28392 830.0 0.185 0.544 0.271 0.000 0.034 0.000 3/28392 840.0 0.183 0.538 0.268 0.000 0.034 0.000 3/28392 850.0 0.181 0.532 0.265 0.000 0.034 0.000 3/28392 860.0 0.179 0.525 0.262 0.000 0.033 0.000 3/28392 870.0 0.177 0.519 0.259 0.000 0.033 0.000 3/28392 880.0 0.175 0.513 0.256 0.000 0.032 0.000 3/28392 890.0 0.173 0.508 0.253 0.000 0.032 0.000 3/28392 900.0 0.171 0.502 0.250 0.000 0.032 0.000 3/28392 910.0 0.169 0.496 0.247 0.000 0.031 0.000 3/28392 920.0 0.167 0.491 0.245 0.000 0.031 0.000 3/28392 930.0 0.165 0.486 0.242 0.000 0.031 0.000 3/28392 940.0 0.164 0.481 0.240 0.000 0.030 0.000 3/28392 950.0 0.162 0.476 0.237 0.000 0.030 0.000 3/28392 960.0 0.160 0.471 0.235 0.000 0.030 0.000 3/28392 970.0 0.159 0.466 0.232 0.000 0.029 0.000 3/28392 980.0 0.157 0.461 0.230 0.000 0.029 0.000 3/28392 990.0 0.155 0.456 0.227 0.000 0.029 0.000 3/28392 1000.0 0.154 0.452 0.225 0.000 0.029 0.000 3/28392Thermal conductivity related properties were written into "kappa-m13134.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 11:35:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|