----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:26:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.019475220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.502542140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.068360650000004 Atomic positions (fractional): *1 Sr 0.25372019403409 0.75000000000000 0.64876411886963 87.620 2 Sr 0.24627980596591 0.25000000000000 0.14876411886963 87.620 3 Sr 0.75372019403409 0.75000000000000 0.85123588113037 87.620 4 Sr 0.74627980596591 0.25000000000000 0.35123588113037 87.620 *5 Sm 0.09113205188602 0.75000000000000 0.89135941361349 150.360 *6 Sm 0.06920140455121 0.75000000000000 0.38497122612185 150.360 7 Sm 0.43079859544879 0.25000000000000 0.88497122612185 150.360 8 Sm 0.40886794811398 0.25000000000000 0.39135941361349 150.360 9 Sm 0.59113205188602 0.75000000000000 0.60864058638651 150.360 10 Sm 0.56920140455121 0.75000000000000 0.11502877387815 150.360 11 Sm 0.93079859544879 0.25000000000000 0.61502877387815 150.360 12 Sm 0.90886794811398 0.25000000000000 0.10864058638651 150.360 *13 O 0.00063733643227 0.25000000000000 0.28400612269430 15.999 *14 O 0.06772617766735 0.75000000000000 0.08199015935246 15.999 *15 O 0.13703886755655 0.25000000000000 0.51412656908419 15.999 *16 O 0.21937198808329 0.25000000000000 0.81492662181490 15.999 17 O 0.28062801191671 0.75000000000000 0.31492662181490 15.999 18 O 0.36296113244345 0.75000000000000 0.01412656908419 15.999 19 O 0.43227382233265 0.25000000000000 0.58199015935246 15.999 20 O 0.49936266356773 0.75000000000000 0.78400612269430 15.999 21 O 0.50063733643227 0.25000000000000 0.21599387730570 15.999 22 O 0.56772617766735 0.75000000000000 0.41800984064754 15.999 23 O 0.63703886755655 0.25000000000000 0.98587343091581 15.999 24 O 0.71937198808329 0.25000000000000 0.68507337818510 15.999 25 O 0.78062801191671 0.75000000000000 0.18507337818510 15.999 26 O 0.86296113244345 0.75000000000000 0.48587343091581 15.999 27 O 0.93227382233265 0.25000000000000 0.91800984064754 15.999 28 O 0.99936266356773 0.75000000000000 0.71599387730570 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.019475220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.502542140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.068360650000004 Atomic positions (fractional): *1 Sr 0.25372019403409 0.75000000000000 0.64876411886963 87.620 > 1 2 Sr 0.24627980596591 0.25000000000000 0.14876411886963 87.620 > 2 3 Sr 0.75372019403409 0.75000000000000 0.85123588113037 87.620 > 3 4 Sr 0.74627980596591 0.25000000000000 0.35123588113037 87.620 > 4 *5 Sm 0.09113205188602 0.75000000000000 0.89135941361349 150.360 > 5 *6 Sm 0.06920140455121 0.75000000000000 0.38497122612185 150.360 > 6 7 Sm 0.43079859544879 0.25000000000000 0.88497122612185 150.360 > 7 8 Sm 0.40886794811398 0.25000000000000 0.39135941361349 150.360 > 8 9 Sm 0.59113205188602 0.75000000000000 0.60864058638651 150.360 > 9 10 Sm 0.56920140455121 0.75000000000000 0.11502877387815 150.360 > 10 11 Sm 0.93079859544879 0.25000000000000 0.61502877387815 150.360 > 11 12 Sm 0.90886794811398 0.25000000000000 0.10864058638651 150.360 > 12 *13 O 0.00063733643227 0.25000000000000 0.28400612269430 15.999 > 13 *14 O 0.06772617766735 0.75000000000000 0.08199015935246 15.999 > 14 *15 O 0.13703886755655 0.25000000000000 0.51412656908419 15.999 > 15 *16 O 0.21937198808329 0.25000000000000 0.81492662181490 15.999 > 16 17 O 0.28062801191671 0.75000000000000 0.31492662181490 15.999 > 17 18 O 0.36296113244345 0.75000000000000 0.01412656908419 15.999 > 18 19 O 0.43227382233265 0.25000000000000 0.58199015935246 15.999 > 19 20 O 0.49936266356773 0.75000000000000 0.78400612269430 15.999 > 20 21 O 0.50063733643227 0.25000000000000 0.21599387730570 15.999 > 21 22 O 0.56772617766735 0.75000000000000 0.41800984064754 15.999 > 22 23 O 0.63703886755655 0.25000000000000 0.98587343091581 15.999 > 23 24 O 0.71937198808329 0.25000000000000 0.68507337818510 15.999 > 24 25 O 0.78062801191671 0.75000000000000 0.18507337818510 15.999 > 25 26 O 0.86296113244345 0.75000000000000 0.48587343091581 15.999 > 26 27 O 0.93227382233265 0.25000000000000 0.91800984064754 15.999 > 27 28 O 0.99936266356773 0.75000000000000 0.71599387730570 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.019475220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.507626420000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.068360650000004 Atomic positions (fractional): *1 Sr 0.25372019403409 0.25000000000000 0.64876411886963 87.620 > 1 2 Sr 0.25372019403409 0.58333333333333 0.64876411886963 87.620 > 1 3 Sr 0.25372019403409 0.91666666666667 0.64876411886963 87.620 > 1 4 Sr 0.24627980596591 0.08333333333333 0.14876411886963 87.620 > 2 5 Sr 0.24627980596591 0.41666666666667 0.14876411886963 87.620 > 2 6 Sr 0.24627980596591 0.75000000000000 0.14876411886963 87.620 > 2 7 Sr 0.75372019403409 0.25000000000000 0.85123588113037 87.620 > 3 8 Sr 0.75372019403409 0.58333333333333 0.85123588113037 87.620 > 3 9 Sr 0.75372019403409 0.91666666666667 0.85123588113037 87.620 > 3 10 Sr 0.74627980596591 0.08333333333333 0.35123588113037 87.620 > 4 11 Sr 0.74627980596591 0.41666666666667 0.35123588113037 87.620 > 4 12 Sr 0.74627980596591 0.75000000000000 0.35123588113037 87.620 > 4 *13 Sm 0.09113205188602 0.25000000000000 0.89135941361349 150.360 > 5 14 Sm 0.09113205188602 0.58333333333333 0.89135941361349 150.360 > 5 15 Sm 0.09113205188602 0.91666666666667 0.89135941361349 150.360 > 5 *16 Sm 0.06920140455121 0.25000000000000 0.38497122612185 150.360 > 6 17 Sm 0.06920140455121 0.58333333333333 0.38497122612185 150.360 > 6 18 Sm 0.06920140455121 0.91666666666667 0.38497122612185 150.360 > 6 19 Sm 0.43079859544879 0.08333333333333 0.88497122612185 150.360 > 7 20 Sm 0.43079859544879 0.41666666666667 0.88497122612185 150.360 > 7 21 Sm 0.43079859544879 0.75000000000000 0.88497122612185 150.360 > 7 22 Sm 0.40886794811398 0.08333333333333 0.39135941361349 150.360 > 8 23 Sm 0.40886794811398 0.41666666666667 0.39135941361349 150.360 > 8 24 Sm 0.40886794811398 0.75000000000000 0.39135941361349 150.360 > 8 25 Sm 0.59113205188602 0.25000000000000 0.60864058638651 150.360 > 9 26 Sm 0.59113205188602 0.58333333333333 0.60864058638651 150.360 > 9 27 Sm 0.59113205188602 0.91666666666667 0.60864058638651 150.360 > 9 28 Sm 0.56920140455121 0.25000000000000 0.11502877387815 150.360 > 10 29 Sm 0.56920140455121 0.58333333333333 0.11502877387815 150.360 > 10 30 Sm 0.56920140455121 0.91666666666667 0.11502877387815 150.360 > 10 31 Sm 0.93079859544879 0.08333333333333 0.61502877387815 150.360 > 11 32 Sm 0.93079859544879 0.41666666666667 0.61502877387815 150.360 > 11 33 Sm 0.93079859544879 0.75000000000000 0.61502877387815 150.360 > 11 34 Sm 0.90886794811398 0.08333333333333 0.10864058638651 150.360 > 12 35 Sm 0.90886794811398 0.41666666666667 0.10864058638651 150.360 > 12 36 Sm 0.90886794811398 0.75000000000000 0.10864058638651 150.360 > 12 *37 O 0.00063733643227 0.08333333333333 0.28400612269430 15.999 > 13 38 O 0.00063733643227 0.41666666666667 0.28400612269430 15.999 > 13 39 O 0.00063733643227 0.75000000000000 0.28400612269430 15.999 > 13 *40 O 0.06772617766735 0.25000000000000 0.08199015935246 15.999 > 14 41 O 0.06772617766735 0.58333333333333 0.08199015935246 15.999 > 14 42 O 0.06772617766735 0.91666666666667 0.08199015935246 15.999 > 14 *43 O 0.13703886755655 0.08333333333333 0.51412656908419 15.999 > 15 44 O 0.13703886755655 0.41666666666667 0.51412656908419 15.999 > 15 45 O 0.13703886755655 0.75000000000000 0.51412656908419 15.999 > 15 *46 O 0.21937198808329 0.08333333333333 0.81492662181490 15.999 > 16 47 O 0.21937198808329 0.41666666666667 0.81492662181490 15.999 > 16 48 O 0.21937198808329 0.75000000000000 0.81492662181490 15.999 > 16 49 O 0.28062801191671 0.25000000000000 0.31492662181490 15.999 > 17 50 O 0.28062801191671 0.58333333333333 0.31492662181490 15.999 > 17 51 O 0.28062801191671 0.91666666666667 0.31492662181490 15.999 > 17 52 O 0.36296113244345 0.25000000000000 0.01412656908419 15.999 > 18 53 O 0.36296113244345 0.58333333333333 0.01412656908419 15.999 > 18 54 O 0.36296113244345 0.91666666666667 0.01412656908419 15.999 > 18 55 O 0.43227382233265 0.08333333333333 0.58199015935246 15.999 > 19 56 O 0.43227382233265 0.41666666666667 0.58199015935246 15.999 > 19 57 O 0.43227382233265 0.75000000000000 0.58199015935246 15.999 > 19 58 O 0.49936266356773 0.25000000000000 0.78400612269430 15.999 > 20 59 O 0.49936266356773 0.58333333333333 0.78400612269430 15.999 > 20 60 O 0.49936266356773 0.91666666666667 0.78400612269430 15.999 > 20 61 O 0.50063733643227 0.08333333333333 0.21599387730570 15.999 > 21 62 O 0.50063733643227 0.41666666666667 0.21599387730570 15.999 > 21 63 O 0.50063733643227 0.75000000000000 0.21599387730570 15.999 > 21 64 O 0.56772617766735 0.25000000000000 0.41800984064754 15.999 > 22 65 O 0.56772617766735 0.58333333333333 0.41800984064754 15.999 > 22 66 O 0.56772617766735 0.91666666666667 0.41800984064754 15.999 > 22 67 O 0.63703886755655 0.08333333333333 0.98587343091581 15.999 > 23 68 O 0.63703886755655 0.41666666666667 0.98587343091581 15.999 > 23 69 O 0.63703886755655 0.75000000000000 0.98587343091581 15.999 > 23 70 O 0.71937198808329 0.08333333333333 0.68507337818510 15.999 > 24 71 O 0.71937198808329 0.41666666666667 0.68507337818510 15.999 > 24 72 O 0.71937198808329 0.75000000000000 0.68507337818510 15.999 > 24 73 O 0.78062801191671 0.25000000000000 0.18507337818510 15.999 > 25 74 O 0.78062801191671 0.58333333333333 0.18507337818510 15.999 > 25 75 O 0.78062801191671 0.91666666666667 0.18507337818510 15.999 > 25 76 O 0.86296113244345 0.25000000000000 0.48587343091581 15.999 > 26 77 O 0.86296113244345 0.58333333333333 0.48587343091581 15.999 > 26 78 O 0.86296113244345 0.91666666666667 0.48587343091581 15.999 > 26 79 O 0.93227382233265 0.08333333333333 0.91800984064754 15.999 > 27 80 O 0.93227382233265 0.41666666666667 0.91800984064754 15.999 > 27 81 O 0.93227382233265 0.75000000000000 0.91800984064754 15.999 > 27 82 O 0.99936266356773 0.25000000000000 0.71599387730570 15.999 > 28 83 O 0.99936266356773 0.58333333333333 0.71599387730570 15.999 > 28 84 O 0.99936266356773 0.91666666666667 0.71599387730570 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3604921 0.0000000 0.0000000 0.0000000 4.5891564 0.0000000 0.0000000 0.0000000 4.4331424 -------------------------- Born effective charges -------------------------- 1 Sr 2.5966820 0.0000000 0.0286887 0.0000000 2.4219529 0.0000000 -0.0274764 0.0000000 2.4977847 2 Sr 2.5966820 0.0000000 -0.0286887 0.0000000 2.4219529 0.0000000 0.0274764 0.0000000 2.4977847 3 Sr 2.5966820 0.0000000 -0.0286887 0.0000000 2.4219529 0.0000000 0.0274764 0.0000000 2.4977847 4 Sr 2.5966820 0.0000000 0.0286887 0.0000000 2.4219529 0.0000000 -0.0274764 0.0000000 2.4977847 5 Sm 3.5873555 0.0000000 -0.2551291 0.0000000 4.0609156 0.0000000 -0.1154757 0.0000000 4.1212097 6 Sm 3.6655857 0.0000000 -0.2020875 0.0000000 4.4133773 0.0000000 -0.0371706 0.0000000 3.6323307 7 Sm 3.6655857 0.0000000 0.2020875 0.0000000 4.4133773 0.0000000 0.0371706 0.0000000 3.6323307 8 Sm 3.5873555 0.0000000 0.2551291 0.0000000 4.0609156 0.0000000 0.1154757 0.0000000 4.1212097 9 Sm 3.5873555 0.0000000 0.2551291 0.0000000 4.0609156 0.0000000 0.1154757 0.0000000 4.1212097 10 Sm 3.6655857 0.0000000 0.2020875 0.0000000 4.4133773 0.0000000 0.0371706 0.0000000 3.6323307 11 Sm 3.6655857 0.0000000 -0.2020875 0.0000000 4.4133773 0.0000000 -0.0371706 0.0000000 3.6323307 12 Sm 3.5873555 0.0000000 -0.2551291 0.0000000 4.0609156 0.0000000 -0.1154757 0.0000000 4.1212097 13 O -2.0296623 0.0000000 -0.4971427 0.0000000 -2.7981259 0.0000000 -0.6334447 0.0000000 -3.0843499 14 O -2.4023318 0.0000000 0.0957685 0.0000000 -2.7311599 0.0000000 0.1797659 0.0000000 -2.4842762 15 O -2.4725303 0.0000000 0.0389010 0.0000000 -2.6311488 0.0000000 0.0655022 0.0000000 -2.5384657 16 O -2.9450987 0.0000000 0.0420942 0.0000000 -2.7358112 0.0000000 0.0530620 0.0000000 -2.1442333 17 O -2.9450987 0.0000000 -0.0420942 0.0000000 -2.7358112 0.0000000 -0.0530620 0.0000000 -2.1442333 18 O -2.4725303 0.0000000 -0.0389010 0.0000000 -2.6311488 0.0000000 -0.0655022 0.0000000 -2.5384657 19 O -2.4023318 0.0000000 -0.0957685 0.0000000 -2.7311599 0.0000000 -0.1797659 0.0000000 -2.4842762 20 O -2.0296623 0.0000000 0.4971427 0.0000000 -2.7981259 0.0000000 0.6334447 0.0000000 -3.0843499 21 O -2.0296623 0.0000000 0.4971427 0.0000000 -2.7981259 0.0000000 0.6334447 0.0000000 -3.0843499 22 O -2.4023318 0.0000000 -0.0957685 0.0000000 -2.7311599 0.0000000 -0.1797659 0.0000000 -2.4842762 23 O -2.4725303 0.0000000 -0.0389010 0.0000000 -2.6311488 0.0000000 -0.0655022 0.0000000 -2.5384657 24 O -2.9450987 0.0000000 -0.0420942 0.0000000 -2.7358112 0.0000000 -0.0530620 0.0000000 -2.1442333 25 O -2.9450987 0.0000000 0.0420942 0.0000000 -2.7358112 0.0000000 0.0530620 0.0000000 -2.1442333 26 O -2.4725303 0.0000000 0.0389010 0.0000000 -2.6311488 0.0000000 0.0655022 0.0000000 -2.5384657 27 O -2.4023318 0.0000000 0.0957685 0.0000000 -2.7311599 0.0000000 0.1797659 0.0000000 -2.4842762 28 O -2.0296623 0.0000000 -0.4971427 0.0000000 -2.7981259 0.0000000 -0.6334447 0.0000000 -3.0843499 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.451 Solver_block: 200 / 480 - Time: 1.426 Solver_block: 300 / 480 - Time: 1.423 Solver_block: 400 / 480 - Time: 1.423 Solver_block: 480 / 480 - Time: 1.181 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.937 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 23:26:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:26:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.019475220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.502542140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.068360650000004 Atomic positions (fractional): 1 Sr 0.25372019403409 0.75000000000000 0.64876411886963 87.620 2 Sr 0.24627980596591 0.25000000000000 0.14876411886963 87.620 3 Sr 0.75372019403409 0.75000000000000 0.85123588113037 87.620 4 Sr 0.74627980596591 0.25000000000000 0.35123588113037 87.620 5 Sm 0.09113205188602 0.75000000000000 0.89135941361349 150.360 6 Sm 0.06920140455121 0.75000000000000 0.38497122612185 150.360 7 Sm 0.43079859544879 0.25000000000000 0.88497122612185 150.360 8 Sm 0.40886794811398 0.25000000000000 0.39135941361349 150.360 9 Sm 0.59113205188602 0.75000000000000 0.60864058638651 150.360 10 Sm 0.56920140455121 0.75000000000000 0.11502877387815 150.360 11 Sm 0.93079859544879 0.25000000000000 0.61502877387815 150.360 12 Sm 0.90886794811398 0.25000000000000 0.10864058638651 150.360 13 O 0.00063733643227 0.25000000000000 0.28400612269430 15.999 14 O 0.06772617766735 0.75000000000000 0.08199015935246 15.999 15 O 0.13703886755655 0.25000000000000 0.51412656908419 15.999 16 O 0.21937198808329 0.25000000000000 0.81492662181490 15.999 17 O 0.28062801191671 0.75000000000000 0.31492662181490 15.999 18 O 0.36296113244345 0.75000000000000 0.01412656908419 15.999 19 O 0.43227382233265 0.25000000000000 0.58199015935246 15.999 20 O 0.49936266356773 0.75000000000000 0.78400612269430 15.999 21 O 0.50063733643227 0.25000000000000 0.21599387730570 15.999 22 O 0.56772617766735 0.75000000000000 0.41800984064754 15.999 23 O 0.63703886755655 0.25000000000000 0.98587343091581 15.999 24 O 0.71937198808329 0.25000000000000 0.68507337818510 15.999 25 O 0.78062801191671 0.75000000000000 0.18507337818510 15.999 26 O 0.86296113244345 0.75000000000000 0.48587343091581 15.999 27 O 0.93227382233265 0.25000000000000 0.91800984064754 15.999 28 O 0.99936266356773 0.75000000000000 0.71599387730570 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.019475220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.507626420000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.068360650000004 Atomic positions (fractional): 1 Sr 0.25372019403409 0.25000000000000 0.64876411886963 87.620 > 1 2 Sr 0.25372019403409 0.58333333333333 0.64876411886963 87.620 > 1 3 Sr 0.25372019403409 0.91666666666667 0.64876411886963 87.620 > 1 4 Sr 0.24627980596591 0.08333333333333 0.14876411886963 87.620 > 4 5 Sr 0.24627980596591 0.41666666666667 0.14876411886963 87.620 > 4 6 Sr 0.24627980596591 0.75000000000000 0.14876411886963 87.620 > 4 7 Sr 0.75372019403409 0.25000000000000 0.85123588113037 87.620 > 7 8 Sr 0.75372019403409 0.58333333333333 0.85123588113037 87.620 > 7 9 Sr 0.75372019403409 0.91666666666667 0.85123588113037 87.620 > 7 10 Sr 0.74627980596591 0.08333333333333 0.35123588113037 87.620 > 10 11 Sr 0.74627980596591 0.41666666666667 0.35123588113037 87.620 > 10 12 Sr 0.74627980596591 0.75000000000000 0.35123588113037 87.620 > 10 13 Sm 0.09113205188602 0.25000000000000 0.89135941361349 150.360 > 13 14 Sm 0.09113205188602 0.58333333333333 0.89135941361349 150.360 > 13 15 Sm 0.09113205188602 0.91666666666667 0.89135941361349 150.360 > 13 16 Sm 0.06920140455121 0.25000000000000 0.38497122612185 150.360 > 16 17 Sm 0.06920140455121 0.58333333333333 0.38497122612185 150.360 > 16 18 Sm 0.06920140455121 0.91666666666667 0.38497122612185 150.360 > 16 19 Sm 0.43079859544879 0.08333333333333 0.88497122612185 150.360 > 19 20 Sm 0.43079859544879 0.41666666666667 0.88497122612185 150.360 > 19 21 Sm 0.43079859544879 0.75000000000000 0.88497122612185 150.360 > 19 22 Sm 0.40886794811398 0.08333333333333 0.39135941361349 150.360 > 22 23 Sm 0.40886794811398 0.41666666666667 0.39135941361349 150.360 > 22 24 Sm 0.40886794811398 0.75000000000000 0.39135941361349 150.360 > 22 25 Sm 0.59113205188602 0.25000000000000 0.60864058638651 150.360 > 25 26 Sm 0.59113205188602 0.58333333333333 0.60864058638651 150.360 > 25 27 Sm 0.59113205188602 0.91666666666667 0.60864058638651 150.360 > 25 28 Sm 0.56920140455121 0.25000000000000 0.11502877387815 150.360 > 28 29 Sm 0.56920140455121 0.58333333333333 0.11502877387815 150.360 > 28 30 Sm 0.56920140455121 0.91666666666667 0.11502877387815 150.360 > 28 31 Sm 0.93079859544879 0.08333333333333 0.61502877387815 150.360 > 31 32 Sm 0.93079859544879 0.41666666666667 0.61502877387815 150.360 > 31 33 Sm 0.93079859544879 0.75000000000000 0.61502877387815 150.360 > 31 34 Sm 0.90886794811398 0.08333333333333 0.10864058638651 150.360 > 34 35 Sm 0.90886794811398 0.41666666666667 0.10864058638651 150.360 > 34 36 Sm 0.90886794811398 0.75000000000000 0.10864058638651 150.360 > 34 37 O 0.00063733643227 0.08333333333333 0.28400612269430 15.999 > 37 38 O 0.00063733643227 0.41666666666667 0.28400612269430 15.999 > 37 39 O 0.00063733643227 0.75000000000000 0.28400612269430 15.999 > 37 40 O 0.06772617766735 0.25000000000000 0.08199015935246 15.999 > 40 41 O 0.06772617766735 0.58333333333333 0.08199015935246 15.999 > 40 42 O 0.06772617766735 0.91666666666667 0.08199015935246 15.999 > 40 43 O 0.13703886755655 0.08333333333333 0.51412656908419 15.999 > 43 44 O 0.13703886755655 0.41666666666667 0.51412656908419 15.999 > 43 45 O 0.13703886755655 0.75000000000000 0.51412656908419 15.999 > 43 46 O 0.21937198808329 0.08333333333333 0.81492662181490 15.999 > 46 47 O 0.21937198808329 0.41666666666667 0.81492662181490 15.999 > 46 48 O 0.21937198808329 0.75000000000000 0.81492662181490 15.999 > 46 49 O 0.28062801191671 0.25000000000000 0.31492662181490 15.999 > 49 50 O 0.28062801191671 0.58333333333333 0.31492662181490 15.999 > 49 51 O 0.28062801191671 0.91666666666667 0.31492662181490 15.999 > 49 52 O 0.36296113244345 0.25000000000000 0.01412656908419 15.999 > 52 53 O 0.36296113244345 0.58333333333333 0.01412656908419 15.999 > 52 54 O 0.36296113244345 0.91666666666667 0.01412656908419 15.999 > 52 55 O 0.43227382233265 0.08333333333333 0.58199015935246 15.999 > 55 56 O 0.43227382233265 0.41666666666667 0.58199015935246 15.999 > 55 57 O 0.43227382233265 0.75000000000000 0.58199015935246 15.999 > 55 58 O 0.49936266356773 0.25000000000000 0.78400612269430 15.999 > 58 59 O 0.49936266356773 0.58333333333333 0.78400612269430 15.999 > 58 60 O 0.49936266356773 0.91666666666667 0.78400612269430 15.999 > 58 61 O 0.50063733643227 0.08333333333333 0.21599387730570 15.999 > 61 62 O 0.50063733643227 0.41666666666667 0.21599387730570 15.999 > 61 63 O 0.50063733643227 0.75000000000000 0.21599387730570 15.999 > 61 64 O 0.56772617766735 0.25000000000000 0.41800984064754 15.999 > 64 65 O 0.56772617766735 0.58333333333333 0.41800984064754 15.999 > 64 66 O 0.56772617766735 0.91666666666667 0.41800984064754 15.999 > 64 67 O 0.63703886755655 0.08333333333333 0.98587343091581 15.999 > 67 68 O 0.63703886755655 0.41666666666667 0.98587343091581 15.999 > 67 69 O 0.63703886755655 0.75000000000000 0.98587343091581 15.999 > 67 70 O 0.71937198808329 0.08333333333333 0.68507337818510 15.999 > 70 71 O 0.71937198808329 0.41666666666667 0.68507337818510 15.999 > 70 72 O 0.71937198808329 0.75000000000000 0.68507337818510 15.999 > 70 73 O 0.78062801191671 0.25000000000000 0.18507337818510 15.999 > 73 74 O 0.78062801191671 0.58333333333333 0.18507337818510 15.999 > 73 75 O 0.78062801191671 0.91666666666667 0.18507337818510 15.999 > 73 76 O 0.86296113244345 0.25000000000000 0.48587343091581 15.999 > 76 77 O 0.86296113244345 0.58333333333333 0.48587343091581 15.999 > 76 78 O 0.86296113244345 0.91666666666667 0.48587343091581 15.999 > 76 79 O 0.93227382233265 0.08333333333333 0.91800984064754 15.999 > 79 80 O 0.93227382233265 0.41666666666667 0.91800984064754 15.999 > 79 81 O 0.93227382233265 0.75000000000000 0.91800984064754 15.999 > 79 82 O 0.99936266356773 0.25000000000000 0.71599387730570 15.999 > 82 83 O 0.99936266356773 0.58333333333333 0.71599387730570 15.999 > 82 84 O 0.99936266356773 0.91666666666667 0.71599387730570 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3604921 0.0000000 0.0000000 0.0000000 4.5891564 0.0000000 0.0000000 0.0000000 4.4331424 -------------------------- Born effective charges -------------------------- 1 Sr 2.5966820 0.0000000 0.0286887 0.0000000 2.4219529 0.0000000 -0.0274764 0.0000000 2.4977847 2 Sr 2.5966820 0.0000000 -0.0286887 0.0000000 2.4219529 0.0000000 0.0274764 0.0000000 2.4977847 3 Sr 2.5966820 0.0000000 -0.0286887 0.0000000 2.4219529 0.0000000 0.0274764 0.0000000 2.4977847 4 Sr 2.5966820 0.0000000 0.0286887 0.0000000 2.4219529 0.0000000 -0.0274764 0.0000000 2.4977847 5 Sm 3.5873555 0.0000000 -0.2551291 0.0000000 4.0609156 0.0000000 -0.1154757 0.0000000 4.1212097 6 Sm 3.6655857 0.0000000 -0.2020875 0.0000000 4.4133773 0.0000000 -0.0371706 0.0000000 3.6323307 7 Sm 3.6655857 0.0000000 0.2020875 0.0000000 4.4133773 0.0000000 0.0371706 0.0000000 3.6323307 8 Sm 3.5873555 0.0000000 0.2551291 0.0000000 4.0609156 0.0000000 0.1154757 0.0000000 4.1212097 9 Sm 3.5873555 0.0000000 0.2551291 0.0000000 4.0609156 0.0000000 0.1154757 0.0000000 4.1212097 10 Sm 3.6655857 0.0000000 0.2020875 0.0000000 4.4133773 0.0000000 0.0371706 0.0000000 3.6323307 11 Sm 3.6655857 0.0000000 -0.2020875 0.0000000 4.4133773 0.0000000 -0.0371706 0.0000000 3.6323307 12 Sm 3.5873555 0.0000000 -0.2551291 0.0000000 4.0609156 0.0000000 -0.1154757 0.0000000 4.1212097 13 O -2.0296623 0.0000000 -0.4971427 0.0000000 -2.7981259 0.0000000 -0.6334447 0.0000000 -3.0843499 14 O -2.4023318 0.0000000 0.0957685 0.0000000 -2.7311599 0.0000000 0.1797659 0.0000000 -2.4842762 15 O -2.4725303 0.0000000 0.0389010 0.0000000 -2.6311488 0.0000000 0.0655022 0.0000000 -2.5384657 16 O -2.9450987 0.0000000 0.0420942 0.0000000 -2.7358112 0.0000000 0.0530620 0.0000000 -2.1442333 17 O -2.9450987 0.0000000 -0.0420942 0.0000000 -2.7358112 0.0000000 -0.0530620 0.0000000 -2.1442333 18 O -2.4725303 0.0000000 -0.0389010 0.0000000 -2.6311488 0.0000000 -0.0655022 0.0000000 -2.5384657 19 O -2.4023318 0.0000000 -0.0957685 0.0000000 -2.7311599 0.0000000 -0.1797659 0.0000000 -2.4842762 20 O -2.0296623 0.0000000 0.4971427 0.0000000 -2.7981259 0.0000000 0.6334447 0.0000000 -3.0843499 21 O -2.0296623 0.0000000 0.4971427 0.0000000 -2.7981259 0.0000000 0.6334447 0.0000000 -3.0843499 22 O -2.4023318 0.0000000 -0.0957685 0.0000000 -2.7311599 0.0000000 -0.1797659 0.0000000 -2.4842762 23 O -2.4725303 0.0000000 -0.0389010 0.0000000 -2.6311488 0.0000000 -0.0655022 0.0000000 -2.5384657 24 O -2.9450987 0.0000000 -0.0420942 0.0000000 -2.7358112 0.0000000 -0.0530620 0.0000000 -2.1442333 25 O -2.9450987 0.0000000 0.0420942 0.0000000 -2.7358112 0.0000000 0.0530620 0.0000000 -2.1442333 26 O -2.4725303 0.0000000 0.0389010 0.0000000 -2.6311488 0.0000000 0.0655022 0.0000000 -2.5384657 27 O -2.4023318 0.0000000 0.0957685 0.0000000 -2.7311599 0.0000000 0.1797659 0.0000000 -2.4842762 28 O -2.0296623 0.0000000 -0.4971427 0.0000000 -2.7981259 0.0000000 -0.6334447 0.0000000 -3.0843499 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 16, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:26:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:26:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.019475220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.502542140000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.068360650000004 Atomic positions (fractional): 1 Sr 0.25372019403409 0.75000000000000 0.64876411886963 87.620 2 Sr 0.24627980596591 0.25000000000000 0.14876411886963 87.620 3 Sr 0.75372019403409 0.75000000000000 0.85123588113037 87.620 4 Sr 0.74627980596591 0.25000000000000 0.35123588113037 87.620 5 Sm 0.09113205188602 0.75000000000000 0.89135941361349 150.360 6 Sm 0.06920140455121 0.75000000000000 0.38497122612185 150.360 7 Sm 0.43079859544879 0.25000000000000 0.88497122612185 150.360 8 Sm 0.40886794811398 0.25000000000000 0.39135941361349 150.360 9 Sm 0.59113205188602 0.75000000000000 0.60864058638651 150.360 10 Sm 0.56920140455121 0.75000000000000 0.11502877387815 150.360 11 Sm 0.93079859544879 0.25000000000000 0.61502877387815 150.360 12 Sm 0.90886794811398 0.25000000000000 0.10864058638651 150.360 13 O 0.00063733643227 0.25000000000000 0.28400612269430 15.999 14 O 0.06772617766735 0.75000000000000 0.08199015935246 15.999 15 O 0.13703886755655 0.25000000000000 0.51412656908419 15.999 16 O 0.21937198808329 0.25000000000000 0.81492662181490 15.999 17 O 0.28062801191671 0.75000000000000 0.31492662181490 15.999 18 O 0.36296113244345 0.75000000000000 0.01412656908419 15.999 19 O 0.43227382233265 0.25000000000000 0.58199015935246 15.999 20 O 0.49936266356773 0.75000000000000 0.78400612269430 15.999 21 O 0.50063733643227 0.25000000000000 0.21599387730570 15.999 22 O 0.56772617766735 0.75000000000000 0.41800984064754 15.999 23 O 0.63703886755655 0.25000000000000 0.98587343091581 15.999 24 O 0.71937198808329 0.25000000000000 0.68507337818510 15.999 25 O 0.78062801191671 0.75000000000000 0.18507337818510 15.999 26 O 0.86296113244345 0.75000000000000 0.48587343091581 15.999 27 O 0.93227382233265 0.25000000000000 0.91800984064754 15.999 28 O 0.99936266356773 0.75000000000000 0.71599387730570 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.019475220000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.507626420000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.068360650000004 Atomic positions (fractional): 1 Sr 0.25372019403409 0.25000000000000 0.64876411886963 87.620 > 1 2 Sr 0.25372019403409 0.58333333333333 0.64876411886963 87.620 > 1 3 Sr 0.25372019403409 0.91666666666667 0.64876411886963 87.620 > 1 4 Sr 0.24627980596591 0.08333333333333 0.14876411886963 87.620 > 4 5 Sr 0.24627980596591 0.41666666666667 0.14876411886963 87.620 > 4 6 Sr 0.24627980596591 0.75000000000000 0.14876411886963 87.620 > 4 7 Sr 0.75372019403409 0.25000000000000 0.85123588113037 87.620 > 7 8 Sr 0.75372019403409 0.58333333333333 0.85123588113037 87.620 > 7 9 Sr 0.75372019403409 0.91666666666667 0.85123588113037 87.620 > 7 10 Sr 0.74627980596591 0.08333333333333 0.35123588113037 87.620 > 10 11 Sr 0.74627980596591 0.41666666666667 0.35123588113037 87.620 > 10 12 Sr 0.74627980596591 0.75000000000000 0.35123588113037 87.620 > 10 13 Sm 0.09113205188602 0.25000000000000 0.89135941361349 150.360 > 13 14 Sm 0.09113205188602 0.58333333333333 0.89135941361349 150.360 > 13 15 Sm 0.09113205188602 0.91666666666667 0.89135941361349 150.360 > 13 16 Sm 0.06920140455121 0.25000000000000 0.38497122612185 150.360 > 16 17 Sm 0.06920140455121 0.58333333333333 0.38497122612185 150.360 > 16 18 Sm 0.06920140455121 0.91666666666667 0.38497122612185 150.360 > 16 19 Sm 0.43079859544879 0.08333333333333 0.88497122612185 150.360 > 19 20 Sm 0.43079859544879 0.41666666666667 0.88497122612185 150.360 > 19 21 Sm 0.43079859544879 0.75000000000000 0.88497122612185 150.360 > 19 22 Sm 0.40886794811398 0.08333333333333 0.39135941361349 150.360 > 22 23 Sm 0.40886794811398 0.41666666666667 0.39135941361349 150.360 > 22 24 Sm 0.40886794811398 0.75000000000000 0.39135941361349 150.360 > 22 25 Sm 0.59113205188602 0.25000000000000 0.60864058638651 150.360 > 25 26 Sm 0.59113205188602 0.58333333333333 0.60864058638651 150.360 > 25 27 Sm 0.59113205188602 0.91666666666667 0.60864058638651 150.360 > 25 28 Sm 0.56920140455121 0.25000000000000 0.11502877387815 150.360 > 28 29 Sm 0.56920140455121 0.58333333333333 0.11502877387815 150.360 > 28 30 Sm 0.56920140455121 0.91666666666667 0.11502877387815 150.360 > 28 31 Sm 0.93079859544879 0.08333333333333 0.61502877387815 150.360 > 31 32 Sm 0.93079859544879 0.41666666666667 0.61502877387815 150.360 > 31 33 Sm 0.93079859544879 0.75000000000000 0.61502877387815 150.360 > 31 34 Sm 0.90886794811398 0.08333333333333 0.10864058638651 150.360 > 34 35 Sm 0.90886794811398 0.41666666666667 0.10864058638651 150.360 > 34 36 Sm 0.90886794811398 0.75000000000000 0.10864058638651 150.360 > 34 37 O 0.00063733643227 0.08333333333333 0.28400612269430 15.999 > 37 38 O 0.00063733643227 0.41666666666667 0.28400612269430 15.999 > 37 39 O 0.00063733643227 0.75000000000000 0.28400612269430 15.999 > 37 40 O 0.06772617766735 0.25000000000000 0.08199015935246 15.999 > 40 41 O 0.06772617766735 0.58333333333333 0.08199015935246 15.999 > 40 42 O 0.06772617766735 0.91666666666667 0.08199015935246 15.999 > 40 43 O 0.13703886755655 0.08333333333333 0.51412656908419 15.999 > 43 44 O 0.13703886755655 0.41666666666667 0.51412656908419 15.999 > 43 45 O 0.13703886755655 0.75000000000000 0.51412656908419 15.999 > 43 46 O 0.21937198808329 0.08333333333333 0.81492662181490 15.999 > 46 47 O 0.21937198808329 0.41666666666667 0.81492662181490 15.999 > 46 48 O 0.21937198808329 0.75000000000000 0.81492662181490 15.999 > 46 49 O 0.28062801191671 0.25000000000000 0.31492662181490 15.999 > 49 50 O 0.28062801191671 0.58333333333333 0.31492662181490 15.999 > 49 51 O 0.28062801191671 0.91666666666667 0.31492662181490 15.999 > 49 52 O 0.36296113244345 0.25000000000000 0.01412656908419 15.999 > 52 53 O 0.36296113244345 0.58333333333333 0.01412656908419 15.999 > 52 54 O 0.36296113244345 0.91666666666667 0.01412656908419 15.999 > 52 55 O 0.43227382233265 0.08333333333333 0.58199015935246 15.999 > 55 56 O 0.43227382233265 0.41666666666667 0.58199015935246 15.999 > 55 57 O 0.43227382233265 0.75000000000000 0.58199015935246 15.999 > 55 58 O 0.49936266356773 0.25000000000000 0.78400612269430 15.999 > 58 59 O 0.49936266356773 0.58333333333333 0.78400612269430 15.999 > 58 60 O 0.49936266356773 0.91666666666667 0.78400612269430 15.999 > 58 61 O 0.50063733643227 0.08333333333333 0.21599387730570 15.999 > 61 62 O 0.50063733643227 0.41666666666667 0.21599387730570 15.999 > 61 63 O 0.50063733643227 0.75000000000000 0.21599387730570 15.999 > 61 64 O 0.56772617766735 0.25000000000000 0.41800984064754 15.999 > 64 65 O 0.56772617766735 0.58333333333333 0.41800984064754 15.999 > 64 66 O 0.56772617766735 0.91666666666667 0.41800984064754 15.999 > 64 67 O 0.63703886755655 0.08333333333333 0.98587343091581 15.999 > 67 68 O 0.63703886755655 0.41666666666667 0.98587343091581 15.999 > 67 69 O 0.63703886755655 0.75000000000000 0.98587343091581 15.999 > 67 70 O 0.71937198808329 0.08333333333333 0.68507337818510 15.999 > 70 71 O 0.71937198808329 0.41666666666667 0.68507337818510 15.999 > 70 72 O 0.71937198808329 0.75000000000000 0.68507337818510 15.999 > 70 73 O 0.78062801191671 0.25000000000000 0.18507337818510 15.999 > 73 74 O 0.78062801191671 0.58333333333333 0.18507337818510 15.999 > 73 75 O 0.78062801191671 0.91666666666667 0.18507337818510 15.999 > 73 76 O 0.86296113244345 0.25000000000000 0.48587343091581 15.999 > 76 77 O 0.86296113244345 0.58333333333333 0.48587343091581 15.999 > 76 78 O 0.86296113244345 0.91666666666667 0.48587343091581 15.999 > 76 79 O 0.93227382233265 0.08333333333333 0.91800984064754 15.999 > 79 80 O 0.93227382233265 0.41666666666667 0.91800984064754 15.999 > 79 81 O 0.93227382233265 0.75000000000000 0.91800984064754 15.999 > 79 82 O 0.99936266356773 0.25000000000000 0.71599387730570 15.999 > 82 83 O 0.99936266356773 0.58333333333333 0.71599387730570 15.999 > 82 84 O 0.99936266356773 0.91666666666667 0.71599387730570 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3604921 0.0000000 0.0000000 0.0000000 4.5891564 0.0000000 0.0000000 0.0000000 4.4331424 -------------------------- Born effective charges -------------------------- 1 Sr 2.5966820 0.0000000 0.0286887 0.0000000 2.4219529 0.0000000 -0.0274764 0.0000000 2.4977847 2 Sr 2.5966820 0.0000000 -0.0286887 0.0000000 2.4219529 0.0000000 0.0274764 0.0000000 2.4977847 3 Sr 2.5966820 0.0000000 -0.0286887 0.0000000 2.4219529 0.0000000 0.0274764 0.0000000 2.4977847 4 Sr 2.5966820 0.0000000 0.0286887 0.0000000 2.4219529 0.0000000 -0.0274764 0.0000000 2.4977847 5 Sm 3.5873555 0.0000000 -0.2551291 0.0000000 4.0609156 0.0000000 -0.1154757 0.0000000 4.1212097 6 Sm 3.6655857 0.0000000 -0.2020875 0.0000000 4.4133773 0.0000000 -0.0371706 0.0000000 3.6323307 7 Sm 3.6655857 0.0000000 0.2020875 0.0000000 4.4133773 0.0000000 0.0371706 0.0000000 3.6323307 8 Sm 3.5873555 0.0000000 0.2551291 0.0000000 4.0609156 0.0000000 0.1154757 0.0000000 4.1212097 9 Sm 3.5873555 0.0000000 0.2551291 0.0000000 4.0609156 0.0000000 0.1154757 0.0000000 4.1212097 10 Sm 3.6655857 0.0000000 0.2020875 0.0000000 4.4133773 0.0000000 0.0371706 0.0000000 3.6323307 11 Sm 3.6655857 0.0000000 -0.2020875 0.0000000 4.4133773 0.0000000 -0.0371706 0.0000000 3.6323307 12 Sm 3.5873555 0.0000000 -0.2551291 0.0000000 4.0609156 0.0000000 -0.1154757 0.0000000 4.1212097 13 O -2.0296623 0.0000000 -0.4971427 0.0000000 -2.7981259 0.0000000 -0.6334447 0.0000000 -3.0843499 14 O -2.4023318 0.0000000 0.0957685 0.0000000 -2.7311599 0.0000000 0.1797659 0.0000000 -2.4842762 15 O -2.4725303 0.0000000 0.0389010 0.0000000 -2.6311488 0.0000000 0.0655022 0.0000000 -2.5384657 16 O -2.9450987 0.0000000 0.0420942 0.0000000 -2.7358112 0.0000000 0.0530620 0.0000000 -2.1442333 17 O -2.9450987 0.0000000 -0.0420942 0.0000000 -2.7358112 0.0000000 -0.0530620 0.0000000 -2.1442333 18 O -2.4725303 0.0000000 -0.0389010 0.0000000 -2.6311488 0.0000000 -0.0655022 0.0000000 -2.5384657 19 O -2.4023318 0.0000000 -0.0957685 0.0000000 -2.7311599 0.0000000 -0.1797659 0.0000000 -2.4842762 20 O -2.0296623 0.0000000 0.4971427 0.0000000 -2.7981259 0.0000000 0.6334447 0.0000000 -3.0843499 21 O -2.0296623 0.0000000 0.4971427 0.0000000 -2.7981259 0.0000000 0.6334447 0.0000000 -3.0843499 22 O -2.4023318 0.0000000 -0.0957685 0.0000000 -2.7311599 0.0000000 -0.1797659 0.0000000 -2.4842762 23 O -2.4725303 0.0000000 -0.0389010 0.0000000 -2.6311488 0.0000000 -0.0655022 0.0000000 -2.5384657 24 O -2.9450987 0.0000000 -0.0420942 0.0000000 -2.7358112 0.0000000 -0.0530620 0.0000000 -2.1442333 25 O -2.9450987 0.0000000 0.0420942 0.0000000 -2.7358112 0.0000000 0.0530620 0.0000000 -2.1442333 26 O -2.4725303 0.0000000 0.0389010 0.0000000 -2.6311488 0.0000000 0.0655022 0.0000000 -2.5384657 27 O -2.4023318 0.0000000 0.0957685 0.0000000 -2.7311599 0.0000000 0.1797659 0.0000000 -2.4842762 28 O -2.0296623 0.0000000 -0.4971427 0.0000000 -2.7981259 0.0000000 -0.6334447 0.0000000 -3.0843499 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 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: 0.55, Number of G-points: 289, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.677 ( 0.000 0.000 0.000) 0.000 1.806 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.616 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 2.995 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.815 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.607 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.407 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.713 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.214 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.497 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 9.293 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.710 ( 0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 9.864 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.404 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 11.004 ( 0.000 0.000 0.000) 0.000 11.638 ( 0.000 0.000 0.000) 0.000 12.051 ( 0.000 0.000 0.000) 0.000 12.216 ( 0.000 0.000 0.000) 0.000 12.243 ( 0.000 0.000 0.000) 0.000 12.718 ( 0.000 0.000 0.000) 0.000 13.028 ( 0.000 0.000 0.000) 0.000 13.046 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.048 ( 0.000 0.000 0.000) 0.000 13.067 ( 0.000 0.000 0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 13.421 ( 0.000 0.000 0.000) 0.000 13.554 ( 0.000 0.000 0.000) 0.000 15.103 ( 0.000 0.000 0.000) 0.000 15.579 ( 0.000 0.000 0.000) 0.000 15.903 ( 0.000 0.000 0.000) 0.000 17.028 ( 0.000 0.000 0.000) 0.000 17.256 ( 0.000 0.000 0.000) 0.000 17.414 ( 0.000 0.000 0.000) 0.000 17.751 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 25.160 0.000 0.000) 25.160 0.550 ( 27.123 0.000 0.000) 27.123 0.747 ( 38.656 0.000 0.000) 38.656 1.706 ( -10.615 0.000 0.000) 10.615 1.800 ( -3.037 0.000 0.000) 3.037 1.959 ( 21.515 0.000 0.000) 21.515 2.037 ( -11.681 0.000 0.000) 11.681 2.056 ( -5.939 0.000 0.000) 5.939 2.087 ( 2.982 0.000 0.000) 2.982 2.220 ( -5.376 0.000 0.000) 5.376 2.437 ( -4.383 0.000 0.000) 4.383 2.440 ( 3.937 0.000 0.000) 3.937 2.534 ( 4.053 0.000 0.000) 4.053 2.593 ( 6.589 0.000 0.000) 6.589 2.603 ( -7.753 0.000 0.000) 7.753 2.653 ( 3.508 0.000 0.000) 3.508 2.866 ( -1.296 0.000 0.000) 1.296 2.941 ( -0.832 0.000 0.000) 0.832 3.037 ( 3.837 0.000 0.000) 3.837 3.047 ( 6.545 0.000 0.000) 6.545 3.185 ( -13.316 0.000 0.000) 13.316 3.288 ( -2.241 0.000 0.000) 2.241 3.450 ( -3.659 0.000 0.000) 3.659 3.550 ( -0.115 0.000 0.000) 0.115 4.019 ( -2.478 0.000 0.000) 2.478 4.181 ( 11.000 0.000 0.000) 11.000 4.273 ( 5.826 0.000 0.000) 5.826 4.408 ( -7.174 0.000 0.000) 7.174 4.512 ( -14.390 0.000 0.000) 14.390 4.706 ( -4.404 0.000 0.000) 4.404 4.865 ( 3.078 0.000 0.000) 3.078 5.153 ( 6.128 0.000 0.000) 6.128 5.170 ( -1.078 0.000 0.000) 1.078 5.225 ( -7.922 0.000 0.000) 7.922 5.463 ( -2.664 0.000 0.000) 2.664 5.735 ( 8.277 0.000 0.000) 8.277 5.771 ( -3.030 0.000 0.000) 3.030 5.982 ( 11.170 0.000 0.000) 11.170 6.071 ( -10.229 0.000 0.000) 10.229 6.677 ( -3.201 0.000 0.000) 3.201 6.892 ( 0.192 0.000 0.000) 0.192 7.004 ( -2.544 0.000 0.000) 2.544 7.695 ( -0.233 0.000 0.000) 0.233 7.708 ( -0.350 0.000 0.000) 0.350 7.718 ( 1.660 0.000 0.000) 1.660 7.756 ( -4.399 0.000 0.000) 4.399 7.756 ( 3.244 0.000 0.000) 3.244 7.892 ( 0.378 0.000 0.000) 0.378 8.066 ( 4.808 0.000 0.000) 4.808 8.338 ( 9.843 0.000 0.000) 9.843 8.504 ( 0.783 0.000 0.000) 0.783 8.570 ( -0.513 0.000 0.000) 0.513 8.679 ( 23.482 0.000 0.000) 23.482 9.304 ( 2.303 0.000 0.000) 2.303 9.661 ( 0.349 0.000 0.000) 0.349 9.697 ( -0.940 0.000 0.000) 0.940 9.746 ( -8.162 0.000 0.000) 8.162 9.754 ( -1.708 0.000 0.000) 1.708 10.104 ( -10.068 0.000 0.000) 10.068 10.413 ( 0.774 0.000 0.000) 0.774 10.459 ( -0.293 0.000 0.000) 0.293 10.538 ( -16.782 0.000 0.000) 16.782 11.014 ( 1.586 0.000 0.000) 1.586 11.094 ( 0.590 0.000 0.000) 0.590 11.767 ( 6.194 0.000 0.000) 6.194 12.006 ( -4.352 0.000 0.000) 4.352 12.209 ( -1.657 0.000 0.000) 1.657 12.230 ( 1.186 0.000 0.000) 1.186 13.030 ( 0.178 0.000 0.000) 0.178 13.046 ( -0.201 0.000 0.000) 0.201 13.050 ( 0.178 0.000 0.000) 0.178 13.065 ( -0.166 0.000 0.000) 0.166 13.068 ( 2.042 0.000 0.000) 2.042 13.312 ( -5.819 0.000 0.000) 5.819 13.430 ( 0.834 0.000 0.000) 0.834 13.525 ( -2.048 0.000 0.000) 2.048 15.142 ( 10.645 0.000 0.000) 10.645 15.576 ( -0.731 0.000 0.000) 0.731 15.931 ( 2.540 0.000 0.000) 2.540 16.070 ( -1.078 0.000 0.000) 1.078 17.159 ( 0.766 0.000 0.000) 0.766 17.252 ( -0.509 0.000 0.000) 0.509 17.432 ( 1.595 0.000 0.000) 1.595 17.682 ( -6.185 0.000 0.000) 6.185 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 21.824 0.000 0.000) 21.824 1.073 ( 25.012 0.000 0.000) 25.012 1.369 ( -8.547 0.000 0.000) 8.547 1.535 ( -20.577 0.000 0.000) 20.577 1.543 ( 25.044 0.000 0.000) 25.044 1.947 ( -7.435 0.000 0.000) 7.435 1.985 ( 3.638 0.000 0.000) 3.638 2.083 ( -5.160 0.000 0.000) 5.160 2.197 ( 4.970 0.000 0.000) 4.970 2.258 ( 4.257 0.000 0.000) 4.257 2.318 ( -6.502 0.000 0.000) 6.502 2.485 ( -19.710 0.000 0.000) 19.710 2.510 ( 3.035 0.000 0.000) 3.035 2.556 ( -1.228 0.000 0.000) 1.228 2.664 ( 16.561 0.000 0.000) 16.561 2.747 ( 4.796 0.000 0.000) 4.796 2.825 ( -2.939 0.000 0.000) 2.939 2.908 ( 3.979 0.000 0.000) 3.979 2.985 ( -9.126 0.000 0.000) 9.126 3.055 ( -5.330 0.000 0.000) 5.330 3.130 ( 5.041 0.000 0.000) 5.041 3.224 ( -4.129 0.000 0.000) 4.129 3.499 ( 9.506 0.000 0.000) 9.506 3.663 ( 7.520 0.000 0.000) 7.520 3.834 ( -9.253 0.000 0.000) 9.253 4.081 ( -19.880 0.000 0.000) 19.880 4.358 ( 8.343 0.000 0.000) 8.343 4.516 ( 11.484 0.000 0.000) 11.484 4.541 ( 12.194 0.000 0.000) 12.194 4.568 ( -6.728 0.000 0.000) 6.728 4.799 ( -8.997 0.000 0.000) 8.997 4.846 ( -16.794 0.000 0.000) 16.794 5.267 ( 3.677 0.000 0.000) 3.677 5.283 ( 1.874 0.000 0.000) 1.874 5.520 ( 5.295 0.000 0.000) 5.295 5.642 ( -7.452 0.000 0.000) 7.452 5.891 ( 6.018 0.000 0.000) 6.018 5.963 ( -2.251 0.000 0.000) 2.251 6.205 ( 12.496 0.000 0.000) 12.496 6.485 ( -14.065 0.000 0.000) 14.065 6.906 ( 1.363 0.000 0.000) 1.363 6.948 ( -2.722 0.000 0.000) 2.722 7.695 ( 0.167 0.000 0.000) 0.167 7.700 ( -0.372 0.000 0.000) 0.372 7.748 ( 1.581 0.000 0.000) 1.581 7.755 ( 1.240 0.000 0.000) 1.240 7.828 ( 3.556 0.000 0.000) 3.556 7.882 ( -1.616 0.000 0.000) 1.616 8.218 ( 9.545 0.000 0.000) 9.545 8.388 ( -5.106 0.000 0.000) 5.106 8.527 ( 1.366 0.000 0.000) 1.366 8.553 ( -1.142 0.000 0.000) 1.142 9.222 ( 27.392 0.000 0.000) 27.392 9.452 ( 12.172 0.000 0.000) 12.172 9.591 ( -7.792 0.000 0.000) 7.792 9.677 ( 1.330 0.000 0.000) 1.330 9.685 ( -1.608 0.000 0.000) 1.608 9.713 ( -2.170 0.000 0.000) 2.170 9.850 ( -10.790 0.000 0.000) 10.790 10.062 ( -25.430 0.000 0.000) 25.430 10.431 ( 0.994 0.000 0.000) 0.994 10.449 ( -0.704 0.000 0.000) 0.704 11.083 ( 4.921 0.000 0.000) 4.921 11.148 ( 0.390 0.000 0.000) 0.390 11.811 ( 1.270 0.000 0.000) 1.270 11.893 ( -6.108 0.000 0.000) 6.108 12.226 ( 2.255 0.000 0.000) 2.255 12.249 ( 0.250 0.000 0.000) 0.250 13.034 ( 0.300 0.000 0.000) 0.300 13.041 ( -0.314 0.000 0.000) 0.314 13.055 ( 0.282 0.000 0.000) 0.282 13.060 ( -0.275 0.000 0.000) 0.275 13.119 ( 3.048 0.000 0.000) 3.048 13.197 ( -4.960 0.000 0.000) 4.960 13.453 ( 1.505 0.000 0.000) 1.505 13.487 ( -1.811 0.000 0.000) 1.811 15.368 ( 10.518 0.000 0.000) 10.518 15.525 ( -4.931 0.000 0.000) 4.931 15.989 ( 2.932 0.000 0.000) 2.932 16.039 ( -2.027 0.000 0.000) 2.027 17.187 ( 2.031 0.000 0.000) 2.031 17.230 ( -1.805 0.000 0.000) 1.805 17.472 ( 2.595 0.000 0.000) 2.595 17.552 ( -5.697 0.000 0.000) 5.697 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.000 26.832 0.000) 26.832 0.630 ( 0.000 30.145 0.000) 30.145 1.181 ( 0.000 57.327 0.000) 57.327 1.594 ( 0.000 7.340 0.000) 7.340 1.708 ( 0.000 3.453 0.000) 3.453 2.051 ( 0.000 21.502 0.000) 21.502 2.150 ( 0.000 1.227 0.000) 1.227 2.210 ( 0.000 13.997 0.000) 13.997 2.374 ( 0.000 6.640 0.000) 6.640 2.483 ( 0.000 6.927 0.000) 6.927 2.529 ( 0.000 18.214 0.000) 18.214 2.530 ( 0.000 11.822 0.000) 11.822 2.542 ( 0.000 8.913 0.000) 8.913 2.686 ( 0.000 13.953 0.000) 13.953 2.771 ( 0.000 8.701 0.000) 8.701 2.773 ( 0.000 6.291 0.000) 6.291 2.852 ( 0.000 9.044 0.000) 9.044 2.901 ( 0.000 -0.675 0.000) 0.675 3.058 ( 0.000 14.213 0.000) 14.213 3.284 ( 0.000 15.553 0.000) 15.553 3.310 ( 0.000 -0.337 0.000) 0.337 3.495 ( 0.000 16.867 0.000) 16.867 3.573 ( 0.000 -0.224 0.000) 0.224 3.590 ( 0.000 8.295 0.000) 8.295 3.851 ( 0.000 3.750 0.000) 3.750 4.120 ( 0.000 6.768 0.000) 6.768 4.195 ( 0.000 1.242 0.000) 1.242 4.288 ( 0.000 3.065 0.000) 3.065 4.625 ( 0.000 -2.144 0.000) 2.144 4.648 ( 0.000 -2.922 0.000) 2.922 4.714 ( 0.000 -2.985 0.000) 2.985 5.075 ( 0.000 -1.885 0.000) 1.885 5.077 ( 0.000 0.032 0.000) 0.032 5.362 ( 0.000 2.282 0.000) 2.282 5.578 ( 0.000 -2.616 0.000) 2.616 5.622 ( 0.000 -8.565 0.000) 8.565 5.650 ( 0.000 -4.758 0.000) 4.758 5.804 ( 0.000 1.518 0.000) 1.518 6.171 ( 0.000 -4.089 0.000) 4.089 6.532 ( 0.000 -10.914 0.000) 10.914 7.259 ( 0.000 16.794 0.000) 16.794 7.286 ( 0.000 -6.455 0.000) 6.455 7.606 ( 0.000 1.606 0.000) 1.606 7.623 ( 0.000 -4.589 0.000) 4.589 7.757 ( 0.000 5.341 0.000) 5.341 7.948 ( 0.000 8.882 0.000) 8.882 8.015 ( 0.000 23.309 0.000) 23.309 8.035 ( 0.000 2.975 0.000) 2.975 8.146 ( 0.000 18.196 0.000) 18.196 8.203 ( 0.000 -0.625 0.000) 0.625 8.397 ( 0.000 -0.378 0.000) 0.378 8.671 ( 0.000 16.417 0.000) 16.417 8.701 ( 0.000 10.667 0.000) 10.667 9.254 ( 0.000 -3.227 0.000) 3.227 9.444 ( 0.000 -9.178 0.000) 9.178 9.756 ( 0.000 4.263 0.000) 4.263 9.853 ( 0.000 -0.331 0.000) 0.331 9.984 ( 0.000 15.051 0.000) 15.051 10.119 ( 0.000 -8.196 0.000) 8.196 10.304 ( 0.000 -8.628 0.000) 8.628 10.489 ( 0.000 2.295 0.000) 2.295 10.609 ( 0.000 -4.225 0.000) 4.225 11.009 ( 0.000 0.455 0.000) 0.455 11.605 ( 0.000 -3.500 0.000) 3.500 11.934 ( 0.000 -10.139 0.000) 10.139 12.027 ( 0.000 -2.230 0.000) 2.230 12.205 ( 0.000 -1.640 0.000) 1.640 12.495 ( 0.000 15.040 0.000) 15.040 12.518 ( 0.000 -21.608 0.000) 21.608 12.889 ( 0.000 -4.697 0.000) 4.697 12.901 ( 0.000 -8.794 0.000) 8.794 12.955 ( 0.000 -7.432 0.000) 7.432 13.118 ( 0.000 3.027 0.000) 3.027 13.409 ( 0.000 -5.144 0.000) 5.144 13.422 ( 0.000 -1.222 0.000) 1.222 13.468 ( 0.000 -8.144 0.000) 8.144 15.273 ( 0.000 13.383 0.000) 13.383 15.621 ( 0.000 3.794 0.000) 3.794 15.899 ( 0.000 -0.326 0.000) 0.326 16.443 ( 0.000 -2.569 0.000) 2.569 16.958 ( 0.000 -6.755 0.000) 6.755 17.164 ( 0.000 -8.774 0.000) 8.774 17.321 ( 0.000 -8.899 0.000) 8.899 17.614 ( 0.000 -12.864 0.000) 12.864 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 14.408 18.090 0.000) 23.126 0.808 ( 15.280 22.589 0.000) 27.272 1.443 ( 20.216 45.814 0.000) 50.076 1.627 ( 1.229 -0.996 0.000) 1.582 1.983 ( -11.604 10.278 0.000) 15.501 1.992 ( 19.619 4.871 0.000) 20.215 2.119 ( 0.544 13.898 0.000) 13.908 2.204 ( -8.293 11.209 0.000) 13.943 2.238 ( 2.855 13.618 0.000) 13.914 2.434 ( -5.304 18.378 0.000) 19.128 2.516 ( 2.757 -2.179 0.000) 3.514 2.554 ( -1.312 5.946 0.000) 6.089 2.591 ( -4.407 14.048 0.000) 14.723 2.680 ( -4.089 10.998 0.000) 11.733 2.712 ( 7.138 11.635 0.000) 13.650 2.791 ( 2.341 9.264 0.000) 9.555 2.927 ( 2.354 7.965 0.000) 8.305 3.019 ( 6.174 1.473 0.000) 6.347 3.039 ( -0.153 12.920 0.000) 12.921 3.196 ( -7.820 5.999 0.000) 9.856 3.326 ( 1.513 13.109 0.000) 13.196 3.455 ( -3.157 12.852 0.000) 13.234 3.487 ( -6.722 8.125 0.000) 10.545 3.556 ( -0.077 4.117 0.000) 4.117 3.944 ( 0.751 -3.490 0.000) 3.570 4.221 ( 7.830 4.135 0.000) 8.855 4.286 ( 8.908 0.309 0.000) 8.913 4.321 ( -1.168 -0.429 0.000) 1.244 4.486 ( -13.280 -2.361 0.000) 13.488 4.667 ( 6.581 -5.245 0.000) 8.416 4.677 ( -4.061 -2.674 0.000) 4.862 5.139 ( 4.434 -1.236 0.000) 4.603 5.148 ( 4.936 -3.478 0.000) 6.038 5.201 ( -18.414 -1.417 0.000) 18.469 5.409 ( 0.977 -2.588 0.000) 2.766 5.708 ( 8.026 -2.476 0.000) 8.399 5.773 ( -4.637 0.175 0.000) 4.640 5.923 ( 12.855 -5.009 0.000) 13.796 6.025 ( -8.556 -2.964 0.000) 9.055 6.557 ( -1.265 -9.239 0.000) 9.326 7.252 ( -0.539 18.507 0.000) 18.514 7.357 ( 2.548 12.224 0.000) 12.487 7.613 ( 0.326 -4.281 0.000) 4.293 7.616 ( 1.416 0.042 0.000) 1.417 7.742 ( -9.609 0.769 0.000) 9.639 7.772 ( 0.279 4.961 0.000) 4.969 7.995 ( -0.347 21.544 0.000) 21.547 8.077 ( 4.137 3.855 0.000) 5.655 8.145 ( 0.165 16.617 0.000) 16.617 8.367 ( 7.812 2.239 0.000) 8.127 8.603 ( 12.113 2.439 0.000) 12.356 8.691 ( -0.734 10.176 0.000) 10.202 8.708 ( 10.011 10.441 0.000) 14.465 9.274 ( 3.146 -2.779 0.000) 4.198 9.473 ( 2.930 -7.344 0.000) 7.907 9.726 ( -5.280 -0.155 0.000) 5.282 9.778 ( -3.709 3.329 0.000) 4.984 9.930 ( -4.820 8.787 0.000) 10.022 10.080 ( -5.812 0.530 0.000) 5.836 10.279 ( -0.471 -10.822 0.000) 10.832 10.403 ( -6.258 0.537 0.000) 6.281 10.557 ( -9.383 -2.936 0.000) 9.832 11.042 ( 3.549 1.847 0.000) 4.001 11.416 ( -15.319 8.628 0.000) 17.581 11.817 ( 0.088 2.918 0.000) 2.919 11.979 ( -4.439 -2.632 0.000) 5.161 12.216 ( 0.848 -1.434 0.000) 1.666 12.266 ( -5.014 2.600 0.000) 5.648 12.729 ( 5.011 -16.342 0.000) 17.093 12.833 ( -3.707 -14.220 0.000) 14.695 12.864 ( -2.281 -10.303 0.000) 10.552 13.022 ( 2.279 -1.858 0.000) 2.941 13.108 ( 0.287 0.344 0.000) 0.448 13.323 ( -4.139 -5.817 0.000) 7.139 13.444 ( 2.155 -0.790 0.000) 2.295 13.545 ( 2.343 -2.369 0.000) 3.332 15.321 ( 5.690 12.976 0.000) 14.169 15.620 ( -0.368 4.067 0.000) 4.084 15.933 ( 3.148 0.168 0.000) 3.153 16.235 ( -9.951 7.428 0.000) 12.418 17.034 ( 3.252 -10.089 0.000) 10.600 17.160 ( -0.564 -8.803 0.000) 8.821 17.338 ( 1.524 -8.948 0.000) 9.077 17.553 ( -5.411 -12.102 0.000) 13.257 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 25.568 5.128 0.000) 26.077 1.144 ( 16.605 14.045 0.000) 21.748 1.490 ( -12.298 7.236 0.000) 14.269 1.610 ( -22.514 5.338 0.000) 23.138 1.888 ( 22.344 29.285 0.000) 36.836 2.124 ( -1.251 14.657 0.000) 14.711 2.191 ( 4.278 18.584 0.000) 19.070 2.262 ( 0.171 10.335 0.000) 10.336 2.295 ( -0.919 10.081 0.000) 10.123 2.377 ( 4.463 16.023 0.000) 16.633 2.390 ( -10.343 5.624 0.000) 11.774 2.567 ( -8.707 11.397 0.000) 14.342 2.645 ( 7.127 9.431 0.000) 11.821 2.686 ( -2.139 5.673 0.000) 6.063 2.686 ( 8.842 4.817 0.000) 10.068 2.887 ( 6.128 11.774 0.000) 13.273 2.945 ( 5.165 9.787 0.000) 11.066 2.986 ( -3.312 14.316 0.000) 14.694 3.032 ( -11.988 6.197 0.000) 13.494 3.068 ( -3.998 3.762 0.000) 5.489 3.358 ( 2.016 18.488 0.000) 18.598 3.407 ( -2.219 15.270 0.000) 15.431 3.491 ( 8.091 0.433 0.000) 8.102 3.616 ( 3.737 -2.184 0.000) 4.329 3.835 ( -4.818 0.784 0.000) 4.881 4.055 ( -18.970 -1.662 0.000) 19.042 4.370 ( 7.354 1.176 0.000) 7.448 4.504 ( 11.645 -2.001 0.000) 11.815 4.513 ( 10.169 0.420 0.000) 10.177 4.549 ( -7.667 -1.616 0.000) 7.835 4.729 ( -2.463 -3.564 0.000) 4.332 4.832 ( -16.261 -0.965 0.000) 16.289 5.204 ( 1.619 -4.710 0.000) 4.980 5.209 ( 1.122 -6.014 0.000) 6.118 5.500 ( 5.795 -0.547 0.000) 5.821 5.623 ( -7.471 -0.817 0.000) 7.515 5.856 ( 6.000 -2.946 0.000) 6.685 5.936 ( -2.502 -2.056 0.000) 3.239 6.171 ( 12.762 -3.182 0.000) 13.153 6.424 ( -11.236 -5.346 0.000) 12.443 7.251 ( 0.919 22.606 0.000) 22.625 7.304 ( -4.470 27.452 0.000) 27.813 7.642 ( 1.853 -3.308 0.000) 3.791 7.661 ( 0.605 -3.061 0.000) 3.120 7.694 ( 2.936 -2.751 0.000) 4.023 7.753 ( -2.135 2.359 0.000) 3.181 8.033 ( 3.742 16.917 0.000) 17.326 8.104 ( -2.390 16.106 0.000) 16.282 8.226 ( 8.039 0.992 0.000) 8.100 8.383 ( -5.692 -0.030 0.000) 5.692 8.662 ( 0.932 12.111 0.000) 12.147 8.679 ( -0.661 10.656 0.000) 10.676 9.181 ( 26.938 -2.844 0.000) 27.087 9.435 ( 12.261 -1.705 0.000) 12.379 9.557 ( 5.160 -3.188 0.000) 6.066 9.579 ( -9.397 -0.658 0.000) 9.420 9.696 ( -5.901 0.240 0.000) 5.906 9.754 ( -13.692 -1.569 0.000) 13.781 9.969 ( -0.652 10.738 0.000) 10.758 10.149 ( -18.546 6.579 0.000) 19.679 10.304 ( 2.268 -9.167 0.000) 9.444 10.362 ( -4.204 -5.821 0.000) 7.181 11.152 ( 6.913 4.472 0.000) 8.234 11.270 ( -3.953 7.252 0.000) 8.259 11.810 ( -0.032 0.089 0.000) 0.094 11.872 ( -5.449 -2.111 0.000) 5.843 12.230 ( 0.338 -1.302 0.000) 1.345 12.230 ( 0.290 -1.166 0.000) 1.201 12.763 ( -0.267 -19.138 0.000) 19.140 12.776 ( -1.825 -18.648 0.000) 18.737 12.883 ( 4.387 -8.827 0.000) 9.857 12.982 ( -4.635 -3.048 0.000) 5.547 13.171 ( 4.292 -0.287 0.000) 4.301 13.250 ( -3.611 -1.265 0.000) 3.826 13.498 ( 2.926 0.009 0.000) 2.926 13.547 ( -1.623 0.079 0.000) 1.625 15.469 ( 7.630 8.477 0.000) 11.405 15.585 ( -3.658 5.370 0.000) 6.498 16.010 ( 4.225 1.571 0.000) 4.508 16.099 ( -4.956 4.194 0.000) 6.492 17.087 ( 2.531 -9.368 0.000) 9.704 17.135 ( -2.009 -8.993 0.000) 9.215 17.374 ( 2.231 -9.286 0.000) 9.551 17.441 ( -4.803 -10.458 0.000) 11.508 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 24.127 0.000) 24.127 1.215 ( 0.000 26.861 0.000) 26.861 1.820 ( 0.000 7.575 0.000) 7.575 1.827 ( 0.000 14.946 0.000) 14.946 2.193 ( 0.000 2.696 0.000) 2.696 2.324 ( 0.000 53.728 0.000) 53.728 2.363 ( 0.000 1.489 0.000) 1.489 2.529 ( 0.000 13.222 0.000) 13.222 2.555 ( 0.000 1.935 0.000) 1.935 2.633 ( 0.000 25.454 0.000) 25.454 2.715 ( 0.000 9.728 0.000) 9.728 2.826 ( 0.000 13.251 0.000) 13.251 2.878 ( 0.000 0.269 0.000) 0.269 2.960 ( 0.000 8.956 0.000) 8.956 2.991 ( 0.000 23.745 0.000) 23.745 3.024 ( 0.000 17.331 0.000) 17.331 3.069 ( 0.000 19.430 0.000) 19.430 3.222 ( 0.000 19.825 0.000) 19.825 3.358 ( 0.000 7.505 0.000) 7.505 3.389 ( 0.000 13.906 0.000) 13.906 3.569 ( 0.000 18.128 0.000) 18.128 3.592 ( 0.000 4.163 0.000) 4.163 3.914 ( 0.000 19.072 0.000) 19.072 3.973 ( 0.000 25.991 0.000) 25.991 3.983 ( 0.000 12.011 0.000) 12.011 4.249 ( 0.000 4.223 0.000) 4.223 4.321 ( 0.000 11.925 0.000) 11.925 4.420 ( 0.000 11.318 0.000) 11.318 4.565 ( 0.000 -4.956 0.000) 4.956 4.575 ( 0.000 -1.647 0.000) 1.647 4.642 ( 0.000 -3.118 0.000) 3.118 5.040 ( 0.000 -0.685 0.000) 0.685 5.079 ( 0.000 0.330 0.000) 0.330 5.400 ( 0.000 -5.612 0.000) 5.612 5.470 ( 0.000 1.861 0.000) 1.861 5.521 ( 0.000 -2.656 0.000) 2.656 5.560 ( 0.000 -4.054 0.000) 4.054 5.839 ( 0.000 1.578 0.000) 1.578 6.084 ( 0.000 -3.880 0.000) 3.880 6.278 ( 0.000 -12.945 0.000) 12.945 7.190 ( 0.000 -2.992 0.000) 2.992 7.458 ( 0.000 1.901 0.000) 1.901 7.529 ( 0.000 -4.655 0.000) 4.655 7.576 ( 0.000 -3.251 0.000) 3.251 7.973 ( 0.000 12.316 0.000) 12.316 8.083 ( 0.000 2.105 0.000) 2.105 8.183 ( 0.000 -0.965 0.000) 0.965 8.209 ( 0.000 14.148 0.000) 14.148 8.462 ( 0.000 8.369 0.000) 8.369 8.531 ( 0.000 24.553 0.000) 24.553 8.585 ( 0.000 22.199 0.000) 22.199 8.904 ( 0.000 6.618 0.000) 6.618 9.117 ( 0.000 25.711 0.000) 25.711 9.192 ( 0.000 -2.114 0.000) 2.114 9.311 ( 0.000 -3.863 0.000) 3.863 9.841 ( 0.000 3.014 0.000) 3.014 9.897 ( 0.000 5.607 0.000) 5.607 9.920 ( 0.000 -9.731 0.000) 9.731 10.103 ( 0.000 -9.963 0.000) 9.963 10.290 ( 0.000 14.667 0.000) 14.667 10.492 ( 0.000 -6.828 0.000) 6.828 10.537 ( 0.000 2.170 0.000) 2.170 11.027 ( 0.000 1.622 0.000) 1.622 11.488 ( 0.000 -7.678 0.000) 7.678 11.765 ( 0.000 -6.983 0.000) 6.983 11.970 ( 0.000 -3.069 0.000) 3.069 12.074 ( 0.000 -16.577 0.000) 16.577 12.127 ( 0.000 -5.856 0.000) 5.856 12.686 ( 0.000 -11.784 0.000) 11.784 12.795 ( 0.000 -8.349 0.000) 8.349 12.801 ( 0.000 14.599 0.000) 14.599 12.846 ( 0.000 -2.462 0.000) 2.462 13.133 ( 0.000 -2.343 0.000) 2.343 13.195 ( 0.000 -13.780 0.000) 13.780 13.247 ( 0.000 -12.638 0.000) 12.638 13.338 ( 0.000 -6.963 0.000) 6.963 15.519 ( 0.000 8.928 0.000) 8.928 15.717 ( 0.000 5.263 0.000) 5.263 15.894 ( 0.000 -0.182 0.000) 0.182 16.368 ( 0.000 -4.707 0.000) 4.707 16.765 ( 0.000 -11.702 0.000) 11.702 16.914 ( 0.000 -15.262 0.000) 15.262 17.067 ( 0.000 -15.486 0.000) 15.486 17.269 ( 0.000 -19.709 0.000) 19.709 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 2.434 23.879 0.000) 24.003 1.302 ( 8.116 24.195 0.000) 25.520 1.721 ( 1.484 8.795 0.000) 8.920 2.088 ( 11.664 11.888 0.000) 16.655 2.119 ( -9.968 6.250 0.000) 11.765 2.340 ( -9.239 1.853 0.000) 9.423 2.455 ( 7.835 33.551 0.000) 34.453 2.477 ( 6.915 5.279 0.000) 8.700 2.562 ( 7.613 22.490 0.000) 23.744 2.625 ( -0.778 19.661 0.000) 19.677 2.648 ( -4.368 10.019 0.000) 10.930 2.857 ( -0.018 6.126 0.000) 6.126 2.887 ( -1.811 12.146 0.000) 12.280 2.941 ( -3.536 19.087 0.000) 19.412 2.944 ( -5.326 18.354 0.000) 19.111 3.079 ( 8.002 16.995 0.000) 18.784 3.126 ( 6.176 13.079 0.000) 14.464 3.194 ( -2.598 10.302 0.000) 10.624 3.379 ( -1.130 15.100 0.000) 15.143 3.419 ( 3.437 17.122 0.000) 17.464 3.536 ( -1.820 16.973 0.000) 17.071 3.591 ( 0.227 7.645 0.000) 7.648 3.905 ( -4.667 20.208 0.000) 20.740 3.917 ( -4.997 27.142 0.000) 27.598 3.943 ( -1.090 4.886 0.000) 5.006 4.305 ( 4.714 2.385 0.000) 5.283 4.340 ( -5.349 4.785 0.000) 7.177 4.443 ( 2.108 11.676 0.000) 11.865 4.447 ( -3.082 0.993 0.000) 3.238 4.618 ( -2.615 -1.844 0.000) 3.200 4.622 ( 5.357 1.098 0.000) 5.468 5.030 ( -5.148 -6.101 0.000) 7.982 5.106 ( 1.510 -1.656 0.000) 2.241 5.197 ( -9.835 0.975 0.000) 9.884 5.414 ( 2.417 2.563 0.000) 3.523 5.647 ( 7.492 -2.811 0.000) 8.002 5.776 ( -6.966 0.116 0.000) 6.967 5.808 ( 14.275 -5.959 0.000) 15.469 5.968 ( -5.689 -2.454 0.000) 6.196 6.339 ( 1.445 -11.425 0.000) 11.516 7.343 ( 13.109 -4.311 0.000) 13.800 7.433 ( 0.132 -0.922 0.000) 0.932 7.606 ( 2.330 -2.561 0.000) 3.463 7.626 ( 6.243 2.734 0.000) 6.816 7.906 ( -12.230 10.055 0.000) 15.833 7.949 ( -2.715 10.413 0.000) 10.761 8.107 ( 2.721 0.579 0.000) 2.782 8.420 ( 3.880 4.956 0.000) 6.294 8.506 ( -1.256 23.106 0.000) 23.140 8.562 ( -2.143 21.224 0.000) 21.332 8.652 ( 17.833 6.464 0.000) 18.969 8.881 ( -0.863 6.020 0.000) 6.081 9.063 ( -3.550 17.852 0.000) 18.201 9.227 ( 4.487 -0.581 0.000) 4.525 9.405 ( 7.781 3.113 0.000) 8.381 9.768 ( -5.763 3.807 0.000) 6.907 9.876 ( -5.542 -8.056 0.000) 9.778 9.880 ( -2.891 6.739 0.000) 7.333 10.062 ( -1.967 -8.139 0.000) 8.373 10.286 ( -0.965 13.078 0.000) 13.114 10.432 ( -6.521 -0.870 0.000) 6.579 10.449 ( -8.121 -4.869 0.000) 9.469 11.071 ( 4.709 1.360 0.000) 4.901 11.418 ( -5.721 -4.536 0.000) 7.301 11.810 ( 3.685 -3.078 0.000) 4.801 11.907 ( -4.861 -3.958 0.000) 6.268 12.086 ( 1.063 -12.790 0.000) 12.834 12.164 ( 2.524 -3.729 0.000) 4.503 12.541 ( -8.313 -12.978 0.000) 15.412 12.694 ( -10.482 2.435 0.000) 10.761 12.762 ( -5.272 1.358 0.000) 5.444 12.944 ( 8.685 -7.007 0.000) 11.160 13.079 ( -5.190 -3.110 0.000) 6.050 13.115 ( 1.106 -11.541 0.000) 11.594 13.351 ( 1.234 -8.268 0.000) 8.360 13.393 ( 4.890 -11.318 0.000) 12.330 15.557 ( 3.699 8.804 0.000) 9.549 15.723 ( 0.334 5.537 0.000) 5.547 15.935 ( 3.823 -0.140 0.000) 3.826 16.285 ( -6.613 -1.435 0.000) 6.766 16.790 ( 1.867 -13.598 0.000) 13.725 16.909 ( -0.608 -15.234 0.000) 15.246 17.085 ( 1.553 -15.194 0.000) 15.273 17.227 ( -3.654 -18.706 0.000) 19.060 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 18.431 14.664 0.000) 23.553 1.501 ( 10.726 19.092 0.000) 21.899 1.692 ( -6.374 12.281 0.000) 13.836 1.737 ( -23.454 7.641 0.000) 24.667 2.330 ( 12.013 10.420 0.000) 15.902 2.333 ( 4.793 5.434 0.000) 7.246 2.468 ( -3.649 10.542 0.000) 11.156 2.548 ( -3.115 9.851 0.000) 10.331 2.589 ( 0.804 10.845 0.000) 10.875 2.611 ( -0.912 10.633 0.000) 10.672 2.797 ( 0.666 20.738 0.000) 20.749 2.805 ( -2.151 15.123 0.000) 15.275 2.875 ( -2.483 16.007 0.000) 16.198 2.876 ( -2.327 12.562 0.000) 12.776 2.960 ( 18.530 29.848 0.000) 35.132 3.171 ( 3.562 11.469 0.000) 12.010 3.227 ( 3.275 13.958 0.000) 14.337 3.229 ( 1.150 10.787 0.000) 10.848 3.331 ( -10.209 23.706 0.000) 25.811 3.336 ( -3.224 16.611 0.000) 16.921 3.592 ( 5.026 13.873 0.000) 14.755 3.634 ( 3.960 9.565 0.000) 10.352 3.755 ( -6.220 9.863 0.000) 11.660 3.808 ( -5.590 21.785 0.000) 22.491 3.942 ( 0.660 13.606 0.000) 13.622 4.062 ( -13.433 3.866 0.000) 13.978 4.403 ( 5.282 1.692 0.000) 5.546 4.505 ( -2.533 -1.954 0.000) 3.199 4.546 ( 7.537 7.906 0.000) 10.923 4.585 ( 3.668 7.407 0.000) 8.265 4.716 ( 2.072 3.278 0.000) 3.878 4.819 ( -11.247 -0.271 0.000) 11.251 5.103 ( -1.260 -4.578 0.000) 4.748 5.107 ( -1.833 -2.210 0.000) 2.872 5.517 ( 5.872 2.124 0.000) 6.245 5.628 ( -6.109 1.430 0.000) 6.274 5.784 ( 6.060 -3.780 0.000) 7.142 5.885 ( -4.028 -2.923 0.000) 4.976 6.076 ( 12.319 -6.329 0.000) 13.850 6.279 ( -7.281 -8.763 0.000) 11.393 7.476 ( 3.971 -0.007 0.000) 3.971 7.580 ( -5.380 -1.058 0.000) 5.483 7.606 ( 10.816 -4.612 0.000) 11.759 7.716 ( 1.025 3.372 0.000) 3.525 7.801 ( 1.654 16.018 0.000) 16.103 7.867 ( -4.700 11.774 0.000) 12.677 8.201 ( 6.700 -1.678 0.000) 6.907 8.354 ( -7.284 0.921 0.000) 7.342 8.480 ( -1.056 20.275 0.000) 20.303 8.506 ( -2.975 20.052 0.000) 20.271 8.899 ( 1.802 8.587 0.000) 8.774 8.932 ( 0.097 11.164 0.000) 11.164 9.175 ( 22.269 3.419 0.000) 22.530 9.397 ( 11.025 -1.152 0.000) 11.085 9.580 ( 8.479 6.749 0.000) 10.837 9.603 ( -12.191 3.288 0.000) 12.627 9.690 ( -11.434 -3.856 0.000) 12.066 9.767 ( -8.126 7.411 0.000) 10.998 10.069 ( 2.756 -4.043 0.000) 4.893 10.211 ( -12.229 -4.316 0.000) 12.968 10.265 ( -0.123 7.907 0.000) 7.908 10.309 ( -4.610 3.027 0.000) 5.515 11.208 ( 7.985 1.054 0.000) 8.054 11.331 ( -3.811 -1.147 0.000) 3.980 11.821 ( -2.767 -2.237 0.000) 3.558 11.825 ( -2.149 1.364 0.000) 2.545 12.135 ( 4.014 -7.203 0.000) 8.246 12.194 ( -0.434 -1.728 0.000) 1.782 12.414 ( -3.154 -15.187 0.000) 15.511 12.462 ( -8.009 -9.665 0.000) 12.552 12.794 ( 5.844 -1.576 0.000) 6.053 12.941 ( -7.852 -2.871 0.000) 8.361 13.085 ( 4.859 -6.603 0.000) 8.198 13.135 ( -0.311 -7.652 0.000) 7.658 13.387 ( 2.322 -10.524 0.000) 10.777 13.427 ( -0.890 -11.106 0.000) 11.141 15.647 ( 4.525 7.723 0.000) 8.951 15.713 ( -1.777 6.379 0.000) 6.622 16.031 ( 5.554 0.108 0.000) 5.555 16.151 ( -6.429 0.340 0.000) 6.438 16.832 ( 2.442 -14.935 0.000) 15.133 16.882 ( -2.177 -15.252 0.000) 15.407 17.116 ( 1.488 -15.259 0.000) 15.332 17.155 ( -2.820 -16.580 0.000) 16.818 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 19.575 0.000) 19.575 1.710 ( 0.000 21.280 0.000) 21.280 2.006 ( 0.000 10.418 0.000) 10.418 2.164 ( 0.000 17.038 0.000) 17.038 2.248 ( 0.000 2.547 0.000) 2.547 2.360 ( 0.000 -0.478 0.000) 0.478 2.631 ( 0.000 6.034 0.000) 6.034 2.672 ( 0.000 4.028 0.000) 4.028 2.832 ( 0.000 -1.075 0.000) 1.075 2.953 ( 0.000 0.183 0.000) 0.183 3.008 ( 0.000 15.308 0.000) 15.308 3.039 ( 0.000 0.622 0.000) 0.622 3.051 ( 0.000 12.636 0.000) 12.636 3.357 ( 0.000 30.465 0.000) 30.465 3.422 ( 0.000 22.068 0.000) 22.068 3.440 ( 0.000 16.047 0.000) 16.047 3.443 ( 0.000 24.146 0.000) 24.146 3.557 ( 0.000 12.611 0.000) 12.611 3.619 ( 0.000 17.795 0.000) 17.795 3.638 ( 0.000 16.399 0.000) 16.399 3.789 ( 0.000 12.057 0.000) 12.057 4.051 ( 0.000 25.345 0.000) 25.345 4.095 ( 0.000 5.999 0.000) 5.999 4.289 ( 0.000 -2.314 0.000) 2.314 4.437 ( 0.000 24.201 0.000) 24.201 4.462 ( 0.000 -1.452 0.000) 1.452 4.462 ( 0.000 -0.043 0.000) 0.043 4.532 ( 0.000 24.442 0.000) 24.442 4.682 ( 0.000 14.038 0.000) 14.038 4.690 ( 0.000 8.678 0.000) 8.678 4.741 ( 0.000 15.903 0.000) 15.903 5.084 ( 0.000 4.343 0.000) 4.343 5.135 ( 0.000 8.448 0.000) 8.448 5.245 ( 0.000 -6.009 0.000) 6.009 5.479 ( 0.000 -1.425 0.000) 1.425 5.504 ( 0.000 0.821 0.000) 0.821 5.622 ( 0.000 10.280 0.000) 10.280 5.845 ( 0.000 -1.726 0.000) 1.726 6.024 ( 0.000 -1.903 0.000) 1.903 6.041 ( 0.000 -9.020 0.000) 9.020 7.165 ( 0.000 0.579 0.000) 0.579 7.444 ( 0.000 -3.145 0.000) 3.145 7.465 ( 0.000 1.181 0.000) 1.181 7.519 ( 0.000 -1.550 0.000) 1.550 8.106 ( 0.000 1.342 0.000) 1.342 8.112 ( 0.000 0.691 0.000) 0.691 8.152 ( 0.000 -2.148 0.000) 2.148 8.438 ( 0.000 6.722 0.000) 6.722 8.693 ( 0.000 10.639 0.000) 10.639 8.895 ( 0.000 3.247 0.000) 3.247 8.982 ( 0.000 8.671 0.000) 8.671 8.986 ( 0.000 16.388 0.000) 16.388 9.205 ( 0.000 4.278 0.000) 4.278 9.288 ( 0.000 1.610 0.000) 1.610 9.637 ( 0.000 19.270 0.000) 19.270 9.725 ( 0.000 -7.236 0.000) 7.236 9.839 ( 0.000 -4.014 0.000) 4.014 9.999 ( 0.000 3.121 0.000) 3.121 10.075 ( 0.000 10.887 0.000) 10.887 10.352 ( 0.000 -6.418 0.000) 6.418 10.543 ( 0.000 8.665 0.000) 8.665 10.580 ( 0.000 2.252 0.000) 2.252 11.098 ( 0.000 5.921 0.000) 5.921 11.314 ( 0.000 -8.904 0.000) 8.904 11.613 ( 0.000 -8.492 0.000) 8.492 11.915 ( 0.000 -2.038 0.000) 2.038 11.932 ( 0.000 2.326 0.000) 2.326 12.008 ( 0.000 -4.515 0.000) 4.515 12.445 ( 0.000 -11.192 0.000) 11.192 12.573 ( 0.000 -14.488 0.000) 14.488 12.630 ( 0.000 -20.137 0.000) 20.137 12.988 ( 0.000 -10.318 0.000) 10.318 13.002 ( 0.000 -10.593 0.000) 10.593 13.023 ( 0.000 -0.837 0.000) 0.837 13.081 ( 0.000 10.944 0.000) 10.944 13.158 ( 0.000 -10.017 0.000) 10.017 15.619 ( 0.000 1.414 0.000) 1.414 15.828 ( 0.000 5.590 0.000) 5.590 15.881 ( 0.000 -1.570 0.000) 1.570 16.256 ( 0.000 -6.149 0.000) 6.149 16.501 ( 0.000 -13.660 0.000) 13.660 16.568 ( 0.000 -18.018 0.000) 18.018 16.717 ( 0.000 -18.025 0.000) 18.025 16.870 ( 0.000 -17.902 0.000) 17.902 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.850 20.889 0.000) 20.906 1.755 ( 4.241 19.567 0.000) 20.021 1.931 ( -0.177 11.049 0.000) 11.050 2.249 ( -1.636 5.785 0.000) 6.012 2.339 ( -9.247 -0.272 0.000) 9.251 2.341 ( 10.519 13.189 0.000) 16.870 2.554 ( 5.056 4.449 0.000) 6.735 2.617 ( -2.765 3.405 0.000) 4.386 2.836 ( -7.151 4.289 0.000) 8.339 2.855 ( -3.289 4.545 0.000) 5.610 2.966 ( -0.104 7.518 0.000) 7.519 3.098 ( 4.108 10.658 0.000) 11.422 3.144 ( 2.822 -0.094 0.000) 2.824 3.345 ( -4.506 12.570 0.000) 13.353 3.386 ( -5.262 17.256 0.000) 18.041 3.424 ( 3.917 29.207 0.000) 29.469 3.515 ( 5.492 31.134 0.000) 31.615 3.522 ( 0.549 19.955 0.000) 19.963 3.576 ( 0.717 7.033 0.000) 7.069 3.817 ( 8.577 18.895 0.000) 20.751 3.818 ( 2.275 12.008 0.000) 12.222 3.994 ( -4.542 23.257 0.000) 23.696 4.028 ( -5.211 7.781 0.000) 9.365 4.310 ( 1.532 1.580 0.000) 2.201 4.341 ( -10.673 -0.159 0.000) 10.674 4.387 ( -2.300 19.156 0.000) 19.294 4.464 ( -5.163 15.510 0.000) 16.347 4.487 ( -0.161 8.600 0.000) 8.601 4.705 ( 1.784 7.818 0.000) 8.019 4.774 ( 2.917 16.896 0.000) 17.146 4.788 ( 7.503 14.662 0.000) 16.470 4.992 ( -6.576 5.181 0.000) 8.372 5.124 ( -1.407 7.269 0.000) 7.404 5.258 ( 1.103 4.681 0.000) 4.809 5.468 ( 0.070 3.139 0.000) 3.140 5.639 ( 9.177 -0.147 0.000) 9.178 5.695 ( 7.275 -1.185 0.000) 7.371 5.777 ( -5.572 -0.143 0.000) 5.574 5.923 ( -4.826 -2.052 0.000) 5.245 6.115 ( 1.373 -9.719 0.000) 9.816 7.279 ( 10.151 -1.543 0.000) 10.268 7.423 ( 1.819 1.618 0.000) 2.435 7.575 ( 4.337 0.111 0.000) 4.338 7.618 ( 9.519 -2.242 0.000) 9.779 8.008 ( -5.119 -1.924 0.000) 5.469 8.041 ( -5.944 3.214 0.000) 6.757 8.178 ( 2.621 3.799 0.000) 4.615 8.469 ( -3.032 -0.044 0.000) 3.032 8.825 ( 12.357 7.244 0.000) 14.324 8.866 ( 0.704 4.651 0.000) 4.704 8.951 ( -3.265 16.053 0.000) 16.381 8.961 ( -1.489 8.451 0.000) 8.581 9.248 ( -2.914 4.905 0.000) 5.706 9.284 ( 5.972 6.025 0.000) 8.483 9.678 ( -1.607 -8.121 0.000) 8.278 9.716 ( 4.064 17.275 0.000) 17.747 9.807 ( -2.941 -1.638 0.000) 3.366 9.998 ( 0.215 3.650 0.000) 3.657 10.073 ( -1.114 11.731 0.000) 11.784 10.269 ( -8.508 -8.463 0.000) 12.000 10.468 ( -8.367 0.901 0.000) 8.415 10.504 ( -4.170 6.943 0.000) 8.099 11.131 ( 3.650 5.080 0.000) 6.256 11.304 ( -1.240 -5.741 0.000) 5.873 11.708 ( 8.242 -6.987 0.000) 10.805 11.835 ( -4.481 -2.713 0.000) 5.238 11.973 ( 3.591 2.085 0.000) 4.153 12.084 ( 4.748 -3.092 0.000) 5.666 12.326 ( -7.449 -8.394 0.000) 11.222 12.588 ( -7.837 -19.227 0.000) 20.763 12.701 ( 6.920 -16.663 0.000) 18.043 12.702 ( -12.093 -0.164 0.000) 12.094 12.972 ( -1.897 -8.628 0.000) 8.834 13.070 ( 0.136 1.268 0.000) 1.275 13.143 ( -1.350 -10.586 0.000) 10.672 13.172 ( 2.855 -4.740 0.000) 5.533 15.665 ( 4.235 2.180 0.000) 4.763 15.836 ( 0.490 5.499 0.000) 5.521 15.915 ( 3.257 -2.225 0.000) 3.944 16.213 ( -4.002 -5.128 0.000) 6.504 16.492 ( -0.399 -15.257 0.000) 15.262 16.564 ( -0.533 -17.954 0.000) 17.962 16.749 ( 2.451 -16.893 0.000) 17.069 16.847 ( -1.943 -17.128 0.000) 17.238 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 9.074 16.991 0.000) 19.262 1.839 ( -0.465 12.590 0.000) 12.599 1.953 ( -0.749 12.255 0.000) 12.278 1.954 ( -12.798 13.794 0.000) 18.817 2.413 ( 9.075 2.998 0.000) 9.558 2.541 ( 9.925 10.259 0.000) 14.274 2.580 ( -4.053 4.162 0.000) 5.810 2.680 ( 1.270 5.158 0.000) 5.312 2.716 ( -4.326 4.646 0.000) 6.348 2.716 ( -4.982 4.086 0.000) 6.443 3.031 ( 4.695 4.695 0.000) 6.640 3.114 ( -2.396 4.999 0.000) 5.543 3.178 ( 2.120 11.569 0.000) 11.762 3.256 ( -4.500 16.713 0.000) 17.308 3.301 ( 0.042 8.207 0.000) 8.207 3.399 ( -6.798 7.301 0.000) 9.976 3.591 ( 3.910 19.576 0.000) 19.963 3.610 ( 2.524 16.610 0.000) 16.800 3.674 ( 8.615 24.795 0.000) 26.249 3.824 ( -6.371 20.779 0.000) 21.734 3.876 ( 4.845 9.504 0.000) 10.668 3.989 ( 2.775 21.126 0.000) 21.307 3.992 ( 0.229 19.639 0.000) 19.640 4.103 ( -10.459 9.906 0.000) 14.405 4.287 ( -2.686 16.178 0.000) 16.400 4.304 ( -6.740 17.905 0.000) 19.132 4.420 ( 4.014 1.121 0.000) 4.167 4.484 ( -1.683 0.372 0.000) 1.724 4.775 ( 4.912 3.690 0.000) 6.144 4.817 ( 1.336 10.699 0.000) 10.782 4.897 ( 0.656 16.623 0.000) 16.636 4.901 ( -2.485 16.331 0.000) 16.519 5.105 ( 1.949 9.821 0.000) 10.013 5.201 ( -5.517 12.311 0.000) 13.490 5.562 ( 7.033 1.068 0.000) 7.114 5.677 ( -4.478 2.942 0.000) 5.357 5.739 ( 3.519 1.231 0.000) 3.728 5.823 ( -5.073 -2.554 0.000) 5.679 5.908 ( 10.623 -9.997 0.000) 14.588 6.074 ( -5.480 -10.879 0.000) 12.182 7.499 ( 5.051 3.638 0.000) 6.225 7.508 ( 11.336 -3.937 0.000) 12.000 7.598 ( -2.902 3.178 0.000) 4.303 7.698 ( -4.844 -2.763 0.000) 5.576 7.998 ( 6.029 -1.281 0.000) 6.163 8.034 ( 3.923 6.736 0.000) 7.795 8.207 ( 0.249 3.141 0.000) 3.151 8.301 ( -10.315 -4.324 0.000) 11.185 8.872 ( -1.351 15.050 0.000) 15.111 8.879 ( -2.617 15.523 0.000) 15.742 8.989 ( 3.930 0.913 0.000) 4.035 9.038 ( 1.799 0.223 0.000) 1.812 9.307 ( 14.055 8.285 0.000) 16.315 9.411 ( 6.258 2.368 0.000) 6.691 9.586 ( -5.449 -5.555 0.000) 7.781 9.684 ( -11.791 4.036 0.000) 12.463 9.848 ( 7.006 13.129 0.000) 14.881 9.984 ( -7.490 7.391 0.000) 10.523 10.016 ( 1.803 2.940 0.000) 3.449 10.086 ( -5.906 -1.715 0.000) 6.150 10.357 ( -1.789 0.842 0.000) 1.978 10.397 ( -5.068 3.694 0.000) 6.272 11.226 ( 4.553 1.415 0.000) 4.767 11.280 ( -1.251 -2.595 0.000) 2.881 11.801 ( 1.881 0.270 0.000) 1.900 11.842 ( 2.109 -0.689 0.000) 2.219 12.054 ( 4.665 0.401 0.000) 4.682 12.166 ( 0.770 -1.133 0.000) 1.370 12.184 ( -3.887 -7.507 0.000) 8.453 12.305 ( -11.800 -7.709 0.000) 14.096 12.655 ( 1.979 -12.069 0.000) 12.230 12.727 ( -3.772 -16.761 0.000) 17.181 13.011 ( 5.365 -3.531 0.000) 6.423 13.071 ( -0.319 0.034 0.000) 0.320 13.118 ( -0.559 -13.059 0.000) 13.071 13.156 ( -3.404 -12.310 0.000) 12.772 15.761 ( 4.654 3.621 0.000) 5.897 15.828 ( -1.741 4.840 0.000) 5.144 16.002 ( 5.195 -3.214 0.000) 6.109 16.113 ( -5.620 -3.905 0.000) 6.844 16.501 ( 1.422 -16.964 0.000) 17.023 16.539 ( -1.929 -17.709 0.000) 17.813 16.790 ( 1.412 -15.724 0.000) 15.788 16.812 ( -1.231 -15.831 0.000) 15.878 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 0.000 14.339 0.000) 14.339 2.058 ( 0.000 12.091 0.000) 12.091 2.237 ( 0.000 11.995 0.000) 11.995 2.313 ( 0.000 4.658 0.000) 4.658 2.359 ( 0.000 0.480 0.000) 0.480 2.489 ( 0.000 14.425 0.000) 14.425 2.748 ( 0.000 3.365 0.000) 3.365 2.797 ( 0.000 -2.023 0.000) 2.023 2.801 ( 0.000 10.383 0.000) 10.383 2.908 ( 0.000 -3.645 0.000) 3.645 3.058 ( 0.000 2.128 0.000) 2.128 3.201 ( 0.000 3.634 0.000) 3.634 3.287 ( 0.000 12.431 0.000) 12.431 3.426 ( 0.000 -1.767 0.000) 1.767 3.700 ( 0.000 8.539 0.000) 8.539 3.758 ( 0.000 3.869 0.000) 3.869 3.784 ( 0.000 10.595 0.000) 10.595 3.838 ( 0.000 1.780 0.000) 1.780 3.892 ( 0.000 6.404 0.000) 6.404 3.949 ( 0.000 4.983 0.000) 4.983 4.161 ( 0.000 13.035 0.000) 13.035 4.232 ( 0.000 8.350 0.000) 8.350 4.444 ( 0.000 9.483 0.000) 9.483 4.445 ( 0.000 31.709 0.000) 31.709 4.480 ( 0.000 4.566 0.000) 4.566 4.529 ( 0.000 12.165 0.000) 12.165 4.741 ( 0.000 1.798 0.000) 1.798 4.895 ( 0.000 9.901 0.000) 9.901 4.964 ( 0.000 12.981 0.000) 12.981 4.995 ( 0.000 12.106 0.000) 12.106 5.071 ( 0.000 22.040 0.000) 22.040 5.089 ( 0.000 -2.461 0.000) 2.461 5.241 ( 0.000 9.070 0.000) 9.070 5.424 ( 0.000 -2.621 0.000) 2.621 5.490 ( 0.000 21.514 0.000) 21.514 5.747 ( 0.000 20.111 0.000) 20.111 5.776 ( 0.000 -3.173 0.000) 3.173 5.876 ( 0.000 14.533 0.000) 14.533 5.958 ( 0.000 1.139 0.000) 1.139 6.008 ( 0.000 0.449 0.000) 0.449 7.216 ( 0.000 4.437 0.000) 4.437 7.427 ( 0.000 2.010 0.000) 2.010 7.526 ( 0.000 2.183 0.000) 2.183 7.548 ( 0.000 6.997 0.000) 6.997 8.079 ( 0.000 -3.157 0.000) 3.157 8.100 ( 0.000 -2.450 0.000) 2.450 8.120 ( 0.000 0.450 0.000) 0.450 8.473 ( 0.000 -2.356 0.000) 2.356 8.830 ( 0.000 3.425 0.000) 3.425 8.876 ( 0.000 0.138 0.000) 0.138 9.100 ( 0.000 -0.308 0.000) 0.308 9.253 ( 0.000 9.262 0.000) 9.262 9.358 ( 0.000 4.265 0.000) 4.265 9.365 ( 0.000 10.465 0.000) 10.465 9.464 ( 0.000 -10.214 0.000) 10.214 9.669 ( 0.000 -12.042 0.000) 12.042 9.960 ( 0.000 7.557 0.000) 7.557 10.229 ( 0.000 -6.246 0.000) 6.246 10.270 ( 0.000 19.222 0.000) 19.222 10.315 ( 0.000 12.093 0.000) 12.093 10.619 ( 0.000 1.067 0.000) 1.067 10.627 ( 0.000 0.643 0.000) 0.643 11.126 ( 0.000 -9.792 0.000) 9.792 11.249 ( 0.000 7.387 0.000) 7.387 11.424 ( 0.000 -9.170 0.000) 9.170 11.896 ( 0.000 0.368 0.000) 0.368 11.964 ( 0.000 -1.780 0.000) 1.780 12.080 ( 0.000 2.925 0.000) 2.925 12.161 ( 0.000 -16.928 0.000) 16.928 12.205 ( 0.000 -19.059 0.000) 19.059 12.249 ( 0.000 -7.808 0.000) 7.808 12.713 ( 0.000 -17.066 0.000) 17.066 12.811 ( 0.000 -6.217 0.000) 6.217 12.946 ( 0.000 -10.778 0.000) 10.778 13.069 ( 0.000 4.010 0.000) 4.010 13.274 ( 0.000 7.053 0.000) 7.053 15.613 ( 0.000 -0.923 0.000) 0.923 15.806 ( 0.000 -6.003 0.000) 6.003 15.945 ( 0.000 5.782 0.000) 5.782 16.120 ( 0.000 -7.155 0.000) 7.155 16.207 ( 0.000 -16.529 0.000) 16.529 16.230 ( 0.000 -12.501 0.000) 12.501 16.365 ( 0.000 -15.656 0.000) 15.656 16.589 ( 0.000 -9.117 0.000) 9.117 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 2.713 15.121 0.000) 15.362 2.075 ( 1.403 11.243 0.000) 11.330 2.160 ( -3.241 11.501 0.000) 11.949 2.322 ( 0.097 2.030 0.000) 2.032 2.367 ( -2.534 2.895 0.000) 3.847 2.593 ( 5.973 10.514 0.000) 12.092 2.684 ( -1.630 3.269 0.000) 3.653 2.697 ( 1.844 9.314 0.000) 9.494 2.887 ( 5.185 0.258 0.000) 5.191 2.933 ( -4.581 5.732 0.000) 7.337 3.109 ( 5.369 -1.966 0.000) 5.718 3.135 ( -11.043 9.086 0.000) 14.301 3.215 ( 0.806 2.347 0.000) 2.482 3.449 ( 0.450 -0.027 0.000) 0.450 3.607 ( -11.409 3.198 0.000) 11.849 3.689 ( -5.307 2.351 0.000) 5.804 3.785 ( 0.849 8.408 0.000) 8.450 3.862 ( 4.339 9.917 0.000) 10.825 3.911 ( 2.640 7.954 0.000) 8.381 4.091 ( 11.271 5.934 0.000) 12.738 4.130 ( -2.149 15.143 0.000) 15.294 4.293 ( 4.279 3.416 0.000) 5.475 4.356 ( -7.350 8.046 0.000) 10.898 4.378 ( -8.904 8.630 0.000) 12.400 4.489 ( 4.057 32.458 0.000) 32.711 4.532 ( -0.428 7.364 0.000) 7.376 4.691 ( -4.256 4.858 0.000) 6.458 4.844 ( -5.366 11.132 0.000) 12.358 4.920 ( -0.918 14.301 0.000) 14.331 5.012 ( 0.348 13.436 0.000) 13.440 5.148 ( 6.703 15.895 0.000) 17.251 5.174 ( 5.745 4.321 0.000) 7.189 5.323 ( 6.721 8.860 0.000) 11.121 5.481 ( -0.689 21.780 0.000) 21.791 5.511 ( 7.971 -6.341 0.000) 10.185 5.728 ( -2.046 20.174 0.000) 20.278 5.760 ( -1.385 -1.422 0.000) 1.985 5.874 ( -0.047 13.435 0.000) 13.435 5.909 ( -3.942 2.854 0.000) 4.867 5.992 ( -2.317 -1.461 0.000) 2.740 7.292 ( 7.081 2.988 0.000) 7.686 7.505 ( 6.962 5.054 0.000) 8.603 7.597 ( 4.081 2.214 0.000) 4.643 7.613 ( 7.262 3.317 0.000) 7.984 7.988 ( -5.423 0.836 0.000) 5.487 8.060 ( -1.985 -0.560 0.000) 2.063 8.190 ( 3.701 -2.461 0.000) 4.445 8.425 ( -7.225 -3.460 0.000) 8.011 8.864 ( 2.106 -0.282 0.000) 2.125 8.901 ( 6.341 1.221 0.000) 6.457 9.092 ( -0.589 1.162 0.000) 1.302 9.209 ( -3.910 9.026 0.000) 9.837 9.377 ( 2.036 6.763 0.000) 7.063 9.446 ( 4.093 8.777 0.000) 9.684 9.451 ( -1.220 -10.193 0.000) 10.266 9.687 ( 3.086 -9.138 0.000) 9.645 9.936 ( -1.940 3.600 0.000) 4.089 10.121 ( -10.054 -6.504 0.000) 11.974 10.277 ( 0.678 18.719 0.000) 18.731 10.308 ( -2.173 9.437 0.000) 9.684 10.484 ( -8.172 2.144 0.000) 8.449 10.580 ( -4.817 2.008 0.000) 5.218 11.201 ( 3.732 -4.492 0.000) 5.840 11.252 ( 0.504 5.384 0.000) 5.407 11.519 ( 9.821 -11.154 0.000) 14.861 11.795 ( -4.332 -2.800 0.000) 5.158 12.063 ( 4.429 0.820 0.000) 4.504 12.087 ( 0.181 -6.866 0.000) 6.868 12.151 ( -1.286 -7.888 0.000) 7.992 12.157 ( -2.603 -10.497 0.000) 10.815 12.330 ( 4.544 -15.459 0.000) 16.113 12.700 ( -10.488 -0.784 0.000) 10.517 12.707 ( 0.706 -15.560 0.000) 15.576 12.955 ( 1.116 -8.606 0.000) 8.678 12.983 ( -5.535 -2.106 0.000) 5.922 13.260 ( -3.132 5.132 0.000) 6.012 15.678 ( 5.865 -0.062 0.000) 5.866 15.825 ( 2.062 -6.665 0.000) 6.976 15.950 ( -0.086 5.732 0.000) 5.733 16.085 ( -3.271 -7.340 0.000) 8.036 16.188 ( -2.432 -13.928 0.000) 14.139 16.204 ( -0.403 -16.757 0.000) 16.761 16.433 ( 4.750 -13.371 0.000) 14.190 16.576 ( -1.102 -8.898 0.000) 8.966 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 3.042 15.080 0.000) 15.383 2.062 ( -5.218 10.066 0.000) 11.338 2.164 ( 1.653 8.418 0.000) 8.579 2.192 ( -3.513 7.768 0.000) 8.526 2.471 ( 8.558 2.899 0.000) 9.036 2.609 ( -2.988 1.047 0.000) 3.166 2.745 ( 4.054 6.114 0.000) 7.336 2.811 ( -0.414 7.524 0.000) 7.535 2.851 ( 1.222 9.222 0.000) 9.302 2.888 ( -4.422 14.365 0.000) 15.031 3.057 ( 5.324 -0.985 0.000) 5.414 3.154 ( -1.170 1.188 0.000) 1.667 3.228 ( 2.471 -2.694 0.000) 3.655 3.433 ( -7.613 -2.432 0.000) 7.992 3.444 ( -8.407 3.026 0.000) 8.935 3.445 ( -3.257 2.677 0.000) 4.216 3.905 ( 9.577 6.365 0.000) 11.500 3.959 ( 5.112 10.454 0.000) 11.636 4.028 ( 6.241 14.468 0.000) 15.756 4.065 ( -3.365 12.051 0.000) 12.512 4.124 ( -10.981 5.531 0.000) 12.295 4.193 ( -8.229 15.570 0.000) 17.610 4.357 ( 10.013 4.416 0.000) 10.944 4.396 ( 5.665 2.761 0.000) 6.302 4.493 ( -3.587 3.929 0.000) 5.320 4.531 ( -4.839 12.228 0.000) 13.151 4.630 ( 2.524 22.266 0.000) 22.408 4.729 ( -5.670 20.056 0.000) 20.842 4.931 ( 1.942 13.981 0.000) 14.115 4.985 ( -2.725 12.981 0.000) 13.264 5.267 ( 2.962 10.902 0.000) 11.297 5.268 ( 3.529 11.981 0.000) 12.490 5.459 ( 5.307 9.018 0.000) 10.464 5.481 ( 1.056 21.066 0.000) 21.093 5.671 ( -0.514 6.903 0.000) 6.922 5.700 ( 7.935 1.214 0.000) 8.027 5.710 ( -3.912 0.313 0.000) 3.925 5.834 ( -3.688 3.261 0.000) 4.923 5.876 ( 0.219 11.076 0.000) 11.078 5.914 ( -4.471 0.750 0.000) 4.533 7.468 ( 9.593 0.389 0.000) 9.601 7.611 ( -1.431 2.700 0.000) 3.056 7.666 ( 3.414 4.497 0.000) 5.646 7.710 ( 0.620 7.423 0.000) 7.449 7.956 ( 5.410 -0.274 0.000) 5.417 8.090 ( 2.416 -0.413 0.000) 2.451 8.214 ( -9.344 -3.666 0.000) 10.038 8.227 ( -1.141 -2.360 0.000) 2.621 8.959 ( 5.429 -1.736 0.000) 5.700 9.007 ( 1.974 -1.978 0.000) 2.794 9.083 ( 0.046 4.619 0.000) 4.620 9.121 ( -3.999 7.910 0.000) 8.863 9.427 ( -0.131 -4.827 0.000) 4.828 9.450 ( -2.053 -0.380 0.000) 2.088 9.494 ( 11.095 4.460 0.000) 11.958 9.762 ( -4.981 3.502 0.000) 6.089 9.872 ( -6.680 -6.203 0.000) 9.116 9.898 ( -1.909 -1.634 0.000) 2.513 10.251 ( -0.383 2.298 0.000) 2.330 10.283 ( -1.006 13.300 0.000) 13.338 10.416 ( -0.175 9.633 0.000) 9.635 10.461 ( -5.319 5.327 0.000) 7.528 11.244 ( 1.282 -1.019 0.000) 1.638 11.260 ( -0.146 1.426 0.000) 1.433 11.749 ( 10.234 -9.269 0.000) 13.807 11.786 ( 3.272 -4.830 0.000) 5.834 12.031 ( -5.626 -18.957 0.000) 19.774 12.043 ( -5.377 -8.193 0.000) 9.799 12.136 ( 0.658 5.375 0.000) 5.416 12.148 ( 0.330 -1.611 0.000) 1.645 12.387 ( 2.571 -11.947 0.000) 12.221 12.489 ( -8.239 -1.758 0.000) 8.424 12.782 ( 5.787 -12.481 0.000) 13.757 12.886 ( -4.611 -9.175 0.000) 10.268 13.007 ( 4.729 -3.168 0.000) 5.692 13.142 ( -7.669 1.744 0.000) 7.865 15.811 ( 6.481 1.536 0.000) 6.661 15.885 ( 2.670 -6.317 0.000) 6.858 15.924 ( -1.560 3.089 0.000) 3.461 15.997 ( -5.134 -7.043 0.000) 8.715 16.167 ( 0.369 -15.100 0.000) 15.104 16.188 ( -1.217 -16.106 0.000) 16.152 16.513 ( 2.909 -10.907 0.000) 11.288 16.552 ( -1.347 -9.234 0.000) 9.331 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 0.000 10.882 0.000) 10.882 2.205 ( 0.000 3.943 0.000) 3.943 2.376 ( 0.000 0.936 0.000) 0.936 2.445 ( 0.000 7.158 0.000) 7.158 2.480 ( 0.000 11.261 0.000) 11.261 2.749 ( 0.000 10.869 0.000) 10.869 2.754 ( 0.000 -1.993 0.000) 1.993 2.804 ( 0.000 2.363 0.000) 2.363 2.822 ( 0.000 -4.549 0.000) 4.549 3.040 ( 0.000 12.635 0.000) 12.635 3.140 ( 0.000 5.842 0.000) 5.842 3.239 ( 0.000 0.750 0.000) 0.750 3.354 ( 0.000 -5.669 0.000) 5.669 3.521 ( 0.000 10.077 0.000) 10.077 3.751 ( 0.000 -7.606 0.000) 7.606 3.777 ( 0.000 -1.140 0.000) 1.140 3.783 ( 0.000 0.616 0.000) 0.616 3.854 ( 0.000 -2.159 0.000) 2.159 3.870 ( 0.000 -5.875 0.000) 5.875 3.894 ( 0.000 -4.471 0.000) 4.471 4.426 ( 0.000 9.367 0.000) 9.367 4.468 ( 0.000 14.484 0.000) 14.484 4.564 ( 0.000 2.091 0.000) 2.091 4.646 ( 0.000 9.606 0.000) 9.606 4.721 ( 0.000 -0.586 0.000) 0.586 4.757 ( 0.000 10.070 0.000) 10.070 4.863 ( 0.000 -8.185 0.000) 8.185 4.976 ( 0.000 5.601 0.000) 5.601 5.091 ( 0.000 2.576 0.000) 2.576 5.195 ( 0.000 4.264 0.000) 4.264 5.203 ( 0.000 19.345 0.000) 19.345 5.466 ( 0.000 10.404 0.000) 10.404 5.506 ( 0.000 18.381 0.000) 18.381 5.552 ( 0.000 16.478 0.000) 16.478 5.735 ( 0.000 -1.281 0.000) 1.281 5.802 ( 0.000 5.159 0.000) 5.159 6.103 ( 0.000 11.216 0.000) 11.216 6.107 ( 0.000 12.182 0.000) 12.182 6.171 ( 0.000 19.249 0.000) 19.249 6.192 ( 0.000 15.468 0.000) 15.468 7.340 ( 0.000 7.443 0.000) 7.443 7.527 ( 0.000 7.225 0.000) 7.225 7.594 ( 0.000 3.879 0.000) 3.879 7.729 ( 0.000 9.835 0.000) 9.835 8.003 ( 0.000 -3.744 0.000) 3.744 8.085 ( 0.000 1.622 0.000) 1.622 8.138 ( 0.000 1.104 0.000) 1.104 8.388 ( 0.000 -4.917 0.000) 4.917 8.871 ( 0.000 1.112 0.000) 1.112 8.946 ( 0.000 5.913 0.000) 5.913 9.003 ( 0.000 -6.793 0.000) 6.793 9.185 ( 0.000 -9.691 0.000) 9.691 9.372 ( 0.000 -15.662 0.000) 15.662 9.443 ( 0.000 4.528 0.000) 4.528 9.527 ( 0.000 11.115 0.000) 11.115 9.606 ( 0.000 12.005 0.000) 12.005 10.033 ( 0.000 -0.324 0.000) 0.324 10.069 ( 0.000 -9.994 0.000) 9.994 10.503 ( 0.000 2.271 0.000) 2.271 10.616 ( 0.000 -1.178 0.000) 1.178 10.625 ( 0.000 14.709 0.000) 14.709 10.645 ( 0.000 4.676 0.000) 4.676 10.921 ( 0.000 -9.328 0.000) 9.328 11.272 ( 0.000 -5.650 0.000) 5.650 11.359 ( 0.000 3.116 0.000) 3.116 11.621 ( 0.000 -25.506 0.000) 25.506 11.633 ( 0.000 -23.233 0.000) 23.233 11.924 ( 0.000 1.041 0.000) 1.041 12.109 ( 0.000 -7.007 0.000) 7.007 12.117 ( 0.000 4.376 0.000) 4.376 12.334 ( 0.000 10.408 0.000) 10.408 12.371 ( 0.000 -13.171 0.000) 13.171 12.720 ( 0.000 -11.275 0.000) 11.275 12.726 ( 0.000 -2.577 0.000) 2.577 13.160 ( 0.000 4.428 0.000) 4.428 13.361 ( 0.000 1.527 0.000) 1.527 15.614 ( 0.000 1.403 0.000) 1.403 15.664 ( 0.000 -6.760 0.000) 6.760 15.883 ( 0.000 -12.490 0.000) 12.490 15.965 ( 0.000 -7.712 0.000) 7.712 16.007 ( 0.000 -9.031 0.000) 9.031 16.093 ( 0.000 6.141 0.000) 6.141 16.104 ( 0.000 -9.831 0.000) 9.831 16.475 ( 0.000 -3.202 0.000) 3.202 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 3.330 10.121 0.000) 10.654 2.215 ( 1.479 3.717 0.000) 4.001 2.364 ( -4.272 1.379 0.000) 4.489 2.395 ( -6.037 10.891 0.000) 12.452 2.454 ( 3.240 5.913 0.000) 6.743 2.697 ( -3.387 1.121 0.000) 3.568 2.806 ( 3.210 6.948 0.000) 7.654 2.846 ( 5.246 2.133 0.000) 5.663 2.883 ( 5.895 0.009 0.000) 5.895 3.063 ( -5.470 6.728 0.000) 8.671 3.133 ( 5.455 6.007 0.000) 8.114 3.244 ( -0.621 1.882 0.000) 1.982 3.331 ( -4.677 4.913 0.000) 6.783 3.396 ( -5.117 -0.176 0.000) 5.120 3.578 ( -10.136 -4.155 0.000) 10.954 3.683 ( -8.494 -1.097 0.000) 8.565 3.848 ( 1.007 -1.259 0.000) 1.612 3.893 ( 2.206 -4.501 0.000) 5.013 3.977 ( 11.238 0.365 0.000) 11.244 4.059 ( 10.995 -6.362 0.000) 12.703 4.387 ( -2.879 9.963 0.000) 10.371 4.469 ( -7.012 3.928 0.000) 8.037 4.495 ( 1.946 13.153 0.000) 13.296 4.616 ( -3.520 12.022 0.000) 12.526 4.675 ( -3.621 -0.168 0.000) 3.625 4.726 ( -3.006 10.126 0.000) 10.563 4.930 ( 4.153 -6.065 0.000) 7.350 5.038 ( 4.047 5.157 0.000) 6.555 5.080 ( 0.889 5.237 0.000) 5.312 5.200 ( -0.178 15.664 0.000) 15.665 5.239 ( 4.073 0.503 0.000) 4.104 5.465 ( -3.461 14.003 0.000) 14.424 5.503 ( 3.408 9.876 0.000) 10.447 5.621 ( 5.717 15.135 0.000) 16.179 5.734 ( -1.010 0.030 0.000) 1.010 5.808 ( 0.725 7.371 0.000) 7.406 6.085 ( -1.516 12.211 0.000) 12.305 6.112 ( 0.565 14.132 0.000) 14.143 6.156 ( -1.744 19.369 0.000) 19.447 6.183 ( -0.723 15.644 0.000) 15.661 7.397 ( 5.245 6.942 0.000) 8.701 7.571 ( 3.396 2.843 0.000) 4.429 7.687 ( 8.484 3.052 0.000) 9.016 7.760 ( 3.535 11.625 0.000) 12.151 8.046 ( 2.650 2.285 0.000) 3.499 8.062 ( -1.433 1.935 0.000) 2.408 8.106 ( -1.949 -3.026 0.000) 3.599 8.352 ( -4.990 -3.254 0.000) 5.957 8.911 ( -1.070 5.403 0.000) 5.508 8.911 ( 3.575 -0.018 0.000) 3.575 9.020 ( 1.959 -6.969 0.000) 7.239 9.192 ( 1.069 -9.349 0.000) 9.410 9.369 ( -6.634 2.952 0.000) 7.261 9.400 ( 0.003 -13.716 0.000) 13.716 9.570 ( 3.118 11.430 0.000) 11.848 9.693 ( 8.730 10.507 0.000) 13.661 9.943 ( -6.513 -2.637 0.000) 7.027 9.961 ( -8.972 -9.844 0.000) 13.319 10.386 ( -9.987 0.784 0.000) 10.017 10.584 ( -3.680 8.217 0.000) 9.003 10.632 ( 0.780 9.975 0.000) 10.005 10.657 ( 1.667 8.551 0.000) 8.712 11.083 ( 10.995 -8.591 0.000) 13.953 11.299 ( 3.649 -8.683 0.000) 9.419 11.318 ( -3.278 0.763 0.000) 3.366 11.533 ( -5.319 -22.980 0.000) 23.588 11.621 ( -1.357 -23.047 0.000) 23.087 11.960 ( -2.298 -9.055 0.000) 9.342 12.071 ( -0.007 -0.975 0.000) 0.975 12.183 ( 6.155 0.779 0.000) 6.204 12.323 ( -1.358 9.166 0.000) 9.266 12.447 ( 6.874 -7.568 0.000) 10.224 12.675 ( -5.185 -1.348 0.000) 5.357 12.771 ( 5.097 -9.406 0.000) 10.698 13.008 ( -12.294 3.373 0.000) 12.748 13.316 ( -5.536 0.348 0.000) 5.547 15.674 ( 1.257 -7.043 0.000) 7.154 15.684 ( 6.119 0.712 0.000) 6.160 15.894 ( 0.608 -12.854 0.000) 12.868 15.922 ( -3.386 -8.257 0.000) 8.924 15.954 ( -2.406 -8.028 0.000) 8.381 16.077 ( -1.584 6.261 0.000) 6.458 16.214 ( 7.173 -8.426 0.000) 11.065 16.462 ( -1.341 -3.405 0.000) 3.660 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 1.105 10.060 0.000) 10.121 2.241 ( -1.108 6.791 0.000) 6.881 2.290 ( -0.016 3.270 0.000) 3.270 2.312 ( -1.680 6.602 0.000) 6.812 2.534 ( 4.438 3.424 0.000) 5.605 2.624 ( -4.200 0.831 0.000) 4.281 2.859 ( 2.726 5.061 0.000) 5.748 2.935 ( -4.230 3.180 0.000) 5.292 3.005 ( 6.214 -3.066 0.000) 6.929 3.057 ( 11.263 6.611 0.000) 13.060 3.140 ( -5.419 -1.997 0.000) 5.775 3.225 ( -3.515 16.806 0.000) 17.169 3.242 ( 1.459 8.571 0.000) 8.695 3.330 ( -5.756 -6.413 0.000) 8.617 3.442 ( -2.638 -1.414 0.000) 2.993 3.479 ( -7.946 1.457 0.000) 8.078 3.894 ( 2.679 -4.299 0.000) 5.065 3.921 ( 0.234 -7.113 0.000) 7.117 4.189 ( 9.150 0.900 0.000) 9.194 4.260 ( 7.042 -6.618 0.000) 9.664 4.335 ( -1.707 10.451 0.000) 10.589 4.338 ( -5.271 8.197 0.000) 9.746 4.525 ( -3.751 13.973 0.000) 14.468 4.531 ( -0.018 8.349 0.000) 8.349 4.599 ( -1.901 5.495 0.000) 5.814 4.649 ( -4.205 9.438 0.000) 10.333 5.001 ( 3.779 1.965 0.000) 4.260 5.067 ( -1.678 6.096 0.000) 6.322 5.143 ( 3.720 4.417 0.000) 5.775 5.192 ( -1.101 7.787 0.000) 7.864 5.330 ( 4.214 1.548 0.000) 4.489 5.397 ( -2.972 7.123 0.000) 7.718 5.588 ( 4.846 5.769 0.000) 7.534 5.681 ( -4.026 1.636 0.000) 4.346 5.737 ( 5.263 12.513 0.000) 13.575 5.809 ( -1.550 9.742 0.000) 9.865 6.065 ( 0.307 17.143 0.000) 17.146 6.104 ( -2.979 19.556 0.000) 19.782 6.134 ( 1.570 15.606 0.000) 15.684 6.165 ( -1.246 15.829 0.000) 15.878 7.519 ( 5.980 4.071 0.000) 7.235 7.599 ( -1.411 -0.309 0.000) 1.444 7.863 ( 6.852 5.404 0.000) 8.726 7.886 ( 7.005 13.327 0.000) 15.056 8.018 ( -0.746 4.544 0.000) 4.605 8.069 ( 2.854 -0.094 0.000) 2.855 8.125 ( -0.062 -5.353 0.000) 5.353 8.176 ( -11.294 1.542 0.000) 11.399 8.948 ( 3.566 1.384 0.000) 3.825 8.975 ( 1.638 -1.193 0.000) 2.026 9.078 ( 3.944 -4.606 0.000) 6.064 9.202 ( -8.060 0.555 0.000) 8.080 9.247 ( 3.750 -10.168 0.000) 10.837 9.343 ( -4.798 -9.535 0.000) 10.674 9.636 ( 4.290 6.384 0.000) 7.692 9.774 ( -8.970 -5.206 0.000) 10.371 9.862 ( 4.221 6.396 0.000) 7.664 9.869 ( -0.248 -0.271 0.000) 0.368 10.257 ( 1.579 2.641 0.000) 3.077 10.432 ( -11.107 5.450 0.000) 12.372 10.657 ( 1.229 11.369 0.000) 11.435 10.671 ( -0.122 11.736 0.000) 11.736 11.220 ( 3.119 -1.987 0.000) 3.698 11.265 ( -1.978 -1.895 0.000) 2.739 11.457 ( 8.330 -19.334 0.000) 21.052 11.481 ( 0.298 -22.243 0.000) 22.245 11.595 ( 1.633 -20.352 0.000) 20.418 11.787 ( -12.012 -16.558 0.000) 20.457 12.152 ( 5.955 3.341 0.000) 6.828 12.266 ( -4.603 6.411 0.000) 7.893 12.336 ( 8.637 3.340 0.000) 9.261 12.522 ( -9.517 2.812 0.000) 9.924 12.604 ( 8.053 -5.190 0.000) 9.581 12.774 ( -9.843 -1.908 0.000) 10.026 12.924 ( 10.024 -5.022 0.000) 11.211 13.143 ( -10.916 -1.797 0.000) 11.063 15.722 ( 3.491 -7.655 0.000) 8.413 15.780 ( 0.291 -5.897 0.000) 5.905 15.869 ( -0.337 -7.483 0.000) 7.491 15.890 ( -1.003 -11.737 0.000) 11.780 15.948 ( 2.612 -1.659 0.000) 3.094 16.026 ( -3.689 4.913 0.000) 6.144 16.342 ( 5.245 -6.437 0.000) 8.303 16.421 ( -2.858 -4.457 0.000) 5.294 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.000 3.242 0.000) 3.242 2.336 ( 0.000 9.931 0.000) 9.931 2.381 ( 0.000 -0.802 0.000) 0.802 2.571 ( 0.000 5.115 0.000) 5.115 2.621 ( 0.000 -0.466 0.000) 0.466 2.733 ( 0.000 -3.944 0.000) 3.944 2.762 ( 0.000 4.699 0.000) 4.699 2.831 ( 0.000 1.259 0.000) 1.259 2.943 ( 0.000 7.140 0.000) 7.140 3.199 ( 0.000 -8.523 0.000) 8.523 3.255 ( 0.000 1.349 0.000) 1.349 3.263 ( 0.000 6.162 0.000) 6.162 3.307 ( 0.000 11.904 0.000) 11.904 3.605 ( 0.000 -4.989 0.000) 4.989 3.668 ( 0.000 3.916 0.000) 3.916 3.739 ( 0.000 -8.300 0.000) 8.300 3.742 ( 0.000 -1.616 0.000) 1.616 3.770 ( 0.000 -7.125 0.000) 7.125 3.771 ( 0.000 -0.863 0.000) 0.863 3.785 ( 0.000 -2.593 0.000) 2.593 4.575 ( 0.000 0.249 0.000) 0.249 4.584 ( 0.000 6.779 0.000) 6.779 4.701 ( 0.000 -6.588 0.000) 6.588 4.702 ( 0.000 8.093 0.000) 8.093 4.759 ( 0.000 3.371 0.000) 3.371 4.817 ( 0.000 6.419 0.000) 6.419 4.897 ( 0.000 -7.276 0.000) 7.276 4.911 ( 0.000 3.899 0.000) 3.899 5.119 ( 0.000 1.293 0.000) 1.293 5.198 ( 0.000 -1.434 0.000) 1.434 5.580 ( 0.000 11.602 0.000) 11.602 5.742 ( 0.000 12.348 0.000) 12.348 5.750 ( 0.000 4.099 0.000) 4.099 5.774 ( 0.000 2.389 0.000) 2.389 5.797 ( 0.000 2.503 0.000) 2.503 5.822 ( 0.000 9.018 0.000) 9.018 6.349 ( 0.000 9.522 0.000) 9.522 6.349 ( 0.000 9.702 0.000) 9.702 6.463 ( 0.000 10.160 0.000) 10.160 6.480 ( 0.000 10.332 0.000) 10.332 7.499 ( 0.000 7.517 0.000) 7.517 7.654 ( 0.000 1.177 0.000) 1.177 7.688 ( 0.000 7.715 0.000) 7.715 7.877 ( 0.000 0.785 0.000) 0.785 7.975 ( 0.000 4.272 0.000) 4.272 8.147 ( 0.000 -0.791 0.000) 0.791 8.170 ( 0.000 6.027 0.000) 6.027 8.307 ( 0.000 -2.499 0.000) 2.499 8.829 ( 0.000 -6.565 0.000) 6.565 8.884 ( 0.000 0.533 0.000) 0.533 9.012 ( 0.000 -6.842 0.000) 6.842 9.048 ( 0.000 -15.142 0.000) 15.142 9.163 ( 0.000 13.026 0.000) 13.026 9.568 ( 0.000 8.047 0.000) 8.047 9.773 ( 0.000 -9.599 0.000) 9.599 9.802 ( 0.000 15.969 0.000) 15.969 9.903 ( 0.000 8.002 0.000) 8.002 9.952 ( 0.000 -6.894 0.000) 6.894 10.404 ( 0.000 -9.279 0.000) 9.279 10.539 ( 0.000 -9.401 0.000) 9.401 10.783 ( 0.000 5.292 0.000) 5.292 10.792 ( 0.000 -2.790 0.000) 2.790 10.870 ( 0.000 9.482 0.000) 9.482 11.157 ( 0.000 -15.435 0.000) 15.435 11.179 ( 0.000 -3.880 0.000) 3.880 11.237 ( 0.000 -14.005 0.000) 14.005 11.397 ( 0.000 0.818 0.000) 0.818 11.737 ( 0.000 -16.287 0.000) 16.287 12.107 ( 0.000 6.511 0.000) 6.511 12.201 ( 0.000 3.132 0.000) 3.132 12.252 ( 0.000 -1.086 0.000) 1.086 12.492 ( 0.000 -10.881 0.000) 10.881 12.513 ( 0.000 7.140 0.000) 7.140 12.684 ( 0.000 -2.017 0.000) 2.017 13.239 ( 0.000 3.239 0.000) 3.239 13.350 ( 0.000 -2.018 0.000) 2.018 15.564 ( 0.000 -2.656 0.000) 2.656 15.670 ( 0.000 -7.934 0.000) 7.934 15.673 ( 0.000 4.165 0.000) 4.165 15.833 ( 0.000 -4.772 0.000) 4.772 15.869 ( 0.000 -4.380 0.000) 4.380 15.943 ( 0.000 -6.570 0.000) 6.570 16.225 ( 0.000 6.292 0.000) 6.292 16.418 ( 0.000 -3.023 0.000) 3.023 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 1.027 2.862 0.000) 3.041 2.354 ( 1.523 8.794 0.000) 8.924 2.370 ( -1.429 -0.774 0.000) 1.625 2.557 ( -6.006 3.286 0.000) 6.846 2.581 ( 1.706 6.026 0.000) 6.262 2.717 ( -3.005 1.960 0.000) 3.587 2.799 ( 5.117 -4.661 0.000) 6.922 2.837 ( 0.432 -1.540 0.000) 1.599 2.967 ( 1.555 5.651 0.000) 5.862 3.202 ( 0.139 -8.237 0.000) 8.238 3.204 ( -2.784 5.163 0.000) 5.866 3.223 ( -4.002 2.860 0.000) 4.919 3.389 ( 5.621 10.890 0.000) 12.255 3.496 ( -5.600 -2.420 0.000) 6.101 3.576 ( -3.761 8.826 0.000) 9.593 3.686 ( -5.007 2.189 0.000) 5.464 3.759 ( -0.301 -7.405 0.000) 7.411 3.778 ( 0.549 -4.253 0.000) 4.289 3.893 ( 9.799 -9.387 0.000) 13.570 3.947 ( 9.679 -3.951 0.000) 10.455 4.531 ( -2.803 3.015 0.000) 4.117 4.544 ( -3.067 6.376 0.000) 7.075 4.705 ( -2.939 4.115 0.000) 5.057 4.730 ( 1.374 6.613 0.000) 6.755 4.753 ( 3.147 -7.267 0.000) 7.919 4.829 ( 0.655 6.819 0.000) 6.850 4.900 ( -2.329 5.580 0.000) 6.047 4.936 ( 2.158 -7.250 0.000) 7.564 5.138 ( 2.959 0.824 0.000) 3.072 5.195 ( 1.456 -2.449 0.000) 2.849 5.510 ( -5.879 8.600 0.000) 10.417 5.619 ( -7.743 1.709 0.000) 7.929 5.769 ( 2.364 12.022 0.000) 12.252 5.805 ( 2.026 6.524 0.000) 6.832 5.866 ( 3.632 7.999 0.000) 8.784 5.899 ( 4.696 3.480 0.000) 5.845 6.346 ( 0.578 10.566 0.000) 10.582 6.374 ( 1.653 9.558 0.000) 9.699 6.454 ( -0.903 10.359 0.000) 10.398 6.471 ( -0.884 10.444 0.000) 10.481 7.546 ( 3.810 6.853 0.000) 7.841 7.650 ( -2.087 5.029 0.000) 5.445 7.709 ( 5.307 -1.011 0.000) 5.402 7.932 ( 0.614 -7.652 0.000) 7.676 8.011 ( 6.494 11.669 0.000) 13.354 8.162 ( -0.263 7.252 0.000) 7.257 8.189 ( 3.347 4.544 0.000) 5.644 8.314 ( 0.259 -0.217 0.000) 0.338 8.856 ( 2.531 -6.836 0.000) 7.290 8.896 ( 1.168 -1.218 0.000) 1.688 9.011 ( 0.158 -7.702 0.000) 7.704 9.072 ( 0.797 -3.254 0.000) 3.350 9.116 ( -2.491 -0.076 0.000) 2.492 9.452 ( -9.782 6.111 0.000) 11.534 9.688 ( -7.391 -14.203 0.000) 16.011 9.801 ( -9.984 -1.762 0.000) 10.138 9.891 ( 5.213 10.924 0.000) 12.104 9.964 ( 6.102 13.464 0.000) 14.782 10.398 ( -1.647 -0.845 0.000) 1.851 10.644 ( 7.362 -5.346 0.000) 9.098 10.802 ( 1.690 5.133 0.000) 5.404 10.833 ( -4.418 5.788 0.000) 7.282 10.862 ( 7.123 -10.278 0.000) 12.505 11.079 ( -6.786 -12.467 0.000) 14.195 11.164 ( -1.646 -6.551 0.000) 6.754 11.240 ( 0.665 -11.536 0.000) 11.555 11.316 ( -4.958 -1.557 0.000) 5.197 11.645 ( -8.911 -17.407 0.000) 19.555 12.144 ( 3.622 6.201 0.000) 7.181 12.256 ( 6.840 4.150 0.000) 8.001 12.371 ( 8.106 -1.517 0.000) 8.247 12.483 ( -3.130 6.456 0.000) 7.175 12.578 ( 8.565 -9.235 0.000) 12.595 12.644 ( -3.905 -1.918 0.000) 4.351 13.092 ( -12.614 4.553 0.000) 13.411 13.280 ( -7.511 -3.539 0.000) 8.302 15.571 ( 0.933 -2.655 0.000) 2.814 15.680 ( 0.755 -7.966 0.000) 8.001 15.691 ( 0.415 -0.211 0.000) 0.465 15.777 ( -3.814 -5.514 0.000) 6.705 15.883 ( 4.151 0.932 0.000) 4.255 16.068 ( 8.322 -6.236 0.000) 10.400 16.206 ( -1.990 6.139 0.000) 6.453 16.400 ( -1.859 -3.212 0.000) 3.711 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 3.402 2.546 0.000) 4.249 2.356 ( 0.960 2.225 0.000) 2.423 2.371 ( -0.609 5.716 0.000) 5.749 2.429 ( -5.762 3.966 0.000) 6.995 2.618 ( 1.495 4.890 0.000) 5.114 2.654 ( -2.723 2.354 0.000) 3.599 2.864 ( 1.955 -5.568 0.000) 5.901 2.878 ( 1.562 -6.869 0.000) 7.045 3.006 ( 3.089 4.208 0.000) 5.220 3.105 ( -6.363 2.734 0.000) 6.925 3.189 ( 0.743 1.625 0.000) 1.787 3.202 ( -0.197 -5.593 0.000) 5.597 3.428 ( 1.650 3.987 0.000) 4.315 3.516 ( 4.037 13.098 0.000) 13.706 3.527 ( -4.865 5.020 0.000) 6.990 3.565 ( -3.526 14.648 0.000) 15.067 3.756 ( 0.455 -8.396 0.000) 8.408 3.777 ( -0.955 -6.563 0.000) 6.632 4.069 ( 6.447 -11.158 0.000) 12.887 4.097 ( 3.997 -8.951 0.000) 9.803 4.485 ( -1.522 6.740 0.000) 6.910 4.488 ( -1.934 6.829 0.000) 7.097 4.673 ( 0.857 4.346 0.000) 4.430 4.737 ( -4.201 4.139 0.000) 5.897 4.765 ( 2.120 7.261 0.000) 7.564 4.824 ( -3.738 6.383 0.000) 7.397 4.882 ( 4.004 -5.581 0.000) 6.869 4.945 ( -1.514 -7.955 0.000) 8.098 5.232 ( 6.355 2.751 0.000) 6.925 5.300 ( 7.735 -2.344 0.000) 8.083 5.374 ( -7.362 5.423 0.000) 9.144 5.461 ( -8.068 -0.267 0.000) 8.072 5.814 ( 1.746 11.291 0.000) 11.425 5.830 ( 0.284 9.675 0.000) 9.679 5.934 ( 2.609 6.107 0.000) 6.641 5.955 ( 0.783 4.477 0.000) 4.545 6.374 ( 2.156 11.530 0.000) 11.730 6.411 ( 1.958 9.869 0.000) 10.061 6.422 ( -2.299 11.195 0.000) 11.429 6.447 ( -1.525 10.225 0.000) 10.338 7.609 ( 1.914 4.480 0.000) 4.872 7.627 ( -0.450 3.285 0.000) 3.316 7.832 ( 5.684 -6.010 0.000) 8.272 7.909 ( -2.274 -9.230 0.000) 9.506 8.170 ( 7.446 13.221 0.000) 15.174 8.183 ( 2.487 9.538 0.000) 9.857 8.231 ( -0.003 9.275 0.000) 9.275 8.290 ( -3.276 7.912 0.000) 8.563 8.916 ( 2.869 -7.435 0.000) 7.969 8.929 ( 1.657 -4.082 0.000) 4.405 9.025 ( 1.177 -10.598 0.000) 10.664 9.048 ( -0.776 3.297 0.000) 3.387 9.119 ( 1.072 -8.213 0.000) 8.282 9.233 ( -10.360 4.410 0.000) 11.260 9.572 ( -2.395 -13.255 0.000) 13.470 9.615 ( -6.507 -8.327 0.000) 10.567 10.014 ( 5.877 14.710 0.000) 15.841 10.074 ( 1.910 13.909 0.000) 14.040 10.388 ( 4.163 8.358 0.000) 9.337 10.591 ( -12.785 9.894 0.000) 16.166 10.819 ( 3.612 -5.680 0.000) 6.732 10.835 ( 1.244 3.840 0.000) 4.036 10.999 ( -0.051 -11.668 0.000) 11.668 11.013 ( 3.573 -20.266 0.000) 20.579 11.137 ( 1.958 -6.159 0.000) 6.463 11.231 ( -4.288 -5.277 0.000) 6.799 11.281 ( 4.109 -9.802 0.000) 10.628 11.435 ( -10.684 -15.564 0.000) 18.878 12.250 ( 6.709 5.503 0.000) 8.677 12.387 ( -6.311 5.390 0.000) 8.299 12.406 ( 7.199 1.018 0.000) 7.270 12.540 ( -6.189 -1.416 0.000) 6.349 12.559 ( 10.994 1.722 0.000) 11.128 12.804 ( 13.092 -6.578 0.000) 14.652 12.811 ( -14.092 5.072 0.000) 14.977 13.069 ( -12.737 -5.292 0.000) 13.792 15.608 ( 2.768 -3.159 0.000) 4.200 15.668 ( -2.574 -3.693 0.000) 4.502 15.694 ( 0.651 -7.230 0.000) 7.259 15.715 ( -1.990 -5.842 0.000) 6.171 16.011 ( 7.362 4.915 0.000) 8.852 16.139 ( -4.964 5.704 0.000) 7.562 16.227 ( 7.033 -5.254 0.000) 8.779 16.340 ( -4.293 -3.967 0.000) 5.845 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.000 -3.017 0.000) 3.017 2.339 ( 0.000 3.017 0.000) 3.017 2.522 ( 0.000 -7.727 0.000) 7.727 2.522 ( 0.000 7.727 0.000) 7.727 2.659 ( 0.000 -3.655 0.000) 3.655 2.659 ( 0.000 3.655 0.000) 3.655 2.841 ( 0.000 -1.199 0.000) 1.199 2.841 ( 0.000 1.199 0.000) 1.199 3.056 ( 0.000 -5.128 0.000) 5.128 3.056 ( 0.000 5.128 0.000) 5.128 3.297 ( 0.000 -1.998 0.000) 1.998 3.297 ( 0.000 1.998 0.000) 1.998 3.542 ( 0.000 -10.757 0.000) 10.757 3.542 ( 0.000 10.757 0.000) 10.757 3.622 ( 0.000 -6.137 0.000) 6.137 3.622 ( 0.000 6.137 0.000) 6.137 3.710 ( 0.000 -1.453 0.000) 1.453 3.710 ( 0.000 1.453 0.000) 1.453 3.763 ( 0.000 -0.010 0.000) 0.010 3.763 ( 0.000 0.010 0.000) 0.010 4.603 ( 0.000 -2.908 0.000) 2.908 4.603 ( 0.000 2.908 0.000) 2.908 4.733 ( 0.000 -7.673 0.000) 7.673 4.733 ( 0.000 7.673 0.000) 7.673 4.796 ( 0.000 -0.571 0.000) 0.571 4.796 ( 0.000 0.571 0.000) 0.571 4.912 ( 0.000 -2.858 0.000) 2.858 4.912 ( 0.000 2.858 0.000) 2.858 5.161 ( 0.000 -2.232 0.000) 2.232 5.161 ( 0.000 2.232 0.000) 2.232 5.702 ( 0.000 -3.971 0.000) 3.971 5.702 ( 0.000 3.971 0.000) 3.971 5.851 ( 0.000 -2.185 0.000) 2.185 5.851 ( 0.000 2.185 0.000) 2.185 5.895 ( 0.000 -2.089 0.000) 2.089 5.895 ( 0.000 2.089 0.000) 2.089 6.451 ( 0.000 -0.059 0.000) 0.059 6.451 ( 0.000 0.059 0.000) 0.059 6.578 ( 0.000 -0.664 0.000) 0.664 6.578 ( 0.000 0.664 0.000) 0.664 7.623 ( 0.000 -4.137 0.000) 4.137 7.623 ( 0.000 4.137 0.000) 4.137 7.818 ( 0.000 -4.822 0.000) 4.822 7.818 ( 0.000 4.822 0.000) 4.822 8.091 ( 0.000 -4.695 0.000) 4.695 8.091 ( 0.000 4.695 0.000) 4.695 8.270 ( 0.000 -2.598 0.000) 2.598 8.270 ( 0.000 2.598 0.000) 2.598 8.811 ( 0.000 -6.202 0.000) 6.202 8.811 ( 0.000 6.202 0.000) 6.202 8.913 ( 0.000 -2.844 0.000) 2.844 8.913 ( 0.000 2.844 0.000) 2.844 9.465 ( 0.000 -16.044 0.000) 16.044 9.465 ( 0.000 16.045 0.000) 16.045 9.761 ( 0.000 -10.157 0.000) 10.157 9.761 ( 0.000 10.157 0.000) 10.157 10.165 ( 0.000 -13.409 0.000) 13.409 10.165 ( 0.000 13.409 0.000) 13.409 10.195 ( 0.000 -20.753 0.000) 20.753 10.195 ( 0.000 20.753 0.000) 20.753 10.799 ( 0.000 -2.328 0.000) 2.328 10.799 ( 0.000 2.328 0.000) 2.328 11.007 ( 0.000 -4.084 0.000) 4.084 11.007 ( 0.000 4.085 0.000) 4.085 11.118 ( 0.000 -1.054 0.000) 1.054 11.118 ( 0.000 1.054 0.000) 1.054 11.466 ( 0.000 -8.110 0.000) 8.110 11.466 ( 0.000 8.110 0.000) 8.110 12.234 ( 0.000 -0.432 0.000) 0.432 12.234 ( 0.000 0.432 0.000) 0.432 12.286 ( 0.000 -8.475 0.000) 8.475 12.286 ( 0.000 8.475 0.000) 8.475 12.626 ( 0.000 -4.005 0.000) 4.005 12.626 ( 0.000 4.005 0.000) 4.005 13.298 ( 0.000 -2.780 0.000) 2.780 13.298 ( 0.000 2.780 0.000) 2.780 15.563 ( 0.000 -2.586 0.000) 2.586 15.563 ( 0.000 2.586 0.000) 2.586 15.760 ( 0.000 -3.525 0.000) 3.525 15.760 ( 0.000 3.525 0.000) 3.525 15.841 ( 0.000 -2.281 0.000) 2.281 15.841 ( 0.000 2.281 0.000) 2.281 16.340 ( 0.000 -4.778 0.000) 4.778 16.340 ( 0.000 4.778 0.000) 4.778 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 0.071 -2.545 0.000) 2.546 2.334 ( 0.071 2.545 0.000) 2.546 2.514 ( -1.239 -6.147 0.000) 6.271 2.514 ( -1.239 6.147 0.000) 6.271 2.695 ( 2.807 -5.293 0.000) 5.991 2.695 ( 2.807 5.293 0.000) 5.991 2.784 ( -4.194 -3.547 0.000) 5.493 2.784 ( -4.194 3.547 0.000) 5.493 3.069 ( 1.065 -4.929 0.000) 5.042 3.069 ( 1.065 4.929 0.000) 5.042 3.254 ( -3.898 -1.332 0.000) 4.120 3.254 ( -3.898 1.332 0.000) 4.120 3.521 ( -0.134 -2.223 0.000) 2.227 3.521 ( -0.134 2.223 0.000) 2.227 3.685 ( -1.526 -3.561 0.000) 3.874 3.685 ( -1.526 3.561 0.000) 3.874 3.705 ( 6.029 -6.665 0.000) 8.988 3.705 ( 6.029 6.665 0.000) 8.988 3.820 ( 3.635 -7.694 0.000) 8.510 3.820 ( 3.635 7.694 0.000) 8.510 4.614 ( 1.105 -5.447 0.000) 5.558 4.614 ( 1.105 5.448 0.000) 5.558 4.676 ( -3.438 -5.856 0.000) 6.790 4.676 ( -3.438 5.856 0.000) 6.790 4.834 ( 1.886 -3.253 0.000) 3.760 4.834 ( 1.886 3.253 0.000) 3.760 4.932 ( 0.091 -2.361 0.000) 2.363 4.932 ( 0.091 2.361 0.000) 2.363 5.156 ( 1.565 -1.469 0.000) 2.146 5.156 ( 1.565 1.469 0.000) 2.146 5.602 ( -7.493 -2.414 0.000) 7.872 5.602 ( -7.493 2.414 0.000) 7.872 5.916 ( 3.968 -2.698 0.000) 4.798 5.916 ( 3.968 2.698 0.000) 4.798 5.924 ( 2.384 -2.534 0.000) 3.479 5.924 ( 2.384 2.534 0.000) 3.479 6.466 ( 1.472 -0.764 0.000) 1.658 6.466 ( 1.472 0.764 0.000) 1.658 6.572 ( -0.746 -0.661 0.000) 0.997 6.572 ( -0.746 0.661 0.000) 0.997 7.657 ( 2.828 -3.933 0.000) 4.844 7.657 ( 2.828 3.934 0.000) 4.844 7.776 ( -2.750 -7.210 0.000) 7.717 7.776 ( -2.750 7.210 0.000) 7.717 8.194 ( 8.263 -4.891 0.000) 9.602 8.194 ( 8.263 4.891 0.000) 9.602 8.293 ( 2.366 -3.903 0.000) 4.564 8.293 ( 2.366 3.903 0.000) 4.564 8.840 ( 2.482 -6.994 0.000) 7.421 8.840 ( 2.482 6.994 0.000) 7.422 8.900 ( -1.269 -2.658 0.000) 2.945 8.900 ( -1.269 2.658 0.000) 2.945 9.379 ( -6.749 -15.110 0.000) 16.548 9.379 ( -6.749 15.110 0.000) 16.548 9.624 ( -11.111 -9.990 0.000) 14.942 9.624 ( -11.111 9.990 0.000) 14.942 10.253 ( 7.226 -13.106 0.000) 14.966 10.253 ( 7.226 13.106 0.000) 14.966 10.283 ( 6.569 -22.250 0.000) 23.200 10.283 ( 6.569 22.250 0.000) 23.200 10.793 ( -0.633 -3.037 0.000) 3.102 10.793 ( -0.633 3.037 0.000) 3.102 10.970 ( -3.832 -6.394 0.000) 7.454 10.970 ( -3.832 6.394 0.000) 7.455 11.117 ( 0.197 -3.140 0.000) 3.147 11.117 ( 0.197 3.140 0.000) 3.147 11.364 ( -8.122 -8.478 0.000) 11.741 11.364 ( -8.122 8.478 0.000) 11.741 12.264 ( 3.151 -4.233 0.000) 5.277 12.264 ( 3.151 4.233 0.000) 5.277 12.413 ( 10.850 -6.243 0.000) 12.518 12.413 ( 10.850 6.243 0.000) 12.518 12.587 ( -3.840 -3.830 0.000) 5.423 12.587 ( -3.840 3.830 0.000) 5.423 13.190 ( -10.078 -4.926 0.000) 11.217 13.190 ( -10.078 4.926 0.000) 11.217 15.571 ( 0.858 -2.690 0.000) 2.823 15.571 ( 0.858 2.690 0.000) 2.823 15.702 ( -3.314 -1.882 0.000) 3.811 15.702 ( -3.314 1.882 0.000) 3.811 15.953 ( 8.087 -5.001 0.000) 9.509 15.953 ( 8.087 5.001 0.000) 9.509 16.319 ( -2.118 -4.802 0.000) 5.248 16.319 ( -2.118 4.802 0.000) 5.248 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 3.200 -1.104 0.000) 3.385 2.365 ( 3.200 1.104 0.000) 3.385 2.452 ( -4.708 -1.736 0.000) 5.018 2.452 ( -4.708 1.736 0.000) 5.018 2.734 ( 0.663 -6.562 0.000) 6.596 2.734 ( 0.663 6.562 0.000) 6.596 2.735 ( -0.405 -5.726 0.000) 5.740 2.735 ( -0.405 5.726 0.000) 5.741 3.100 ( 2.316 -4.691 0.000) 5.231 3.100 ( 2.316 4.691 0.000) 5.231 3.166 ( -4.251 -2.798 0.000) 5.089 3.166 ( -4.251 2.798 0.000) 5.089 3.559 ( 3.671 -8.063 0.000) 8.860 3.559 ( 3.671 8.063 0.000) 8.860 3.638 ( -3.457 -6.353 0.000) 7.233 3.638 ( -3.457 6.353 0.000) 7.233 3.817 ( 4.502 -13.124 0.000) 13.874 3.817 ( 4.502 13.124 0.000) 13.874 3.864 ( 0.106 -13.291 0.000) 13.291 3.864 ( 0.106 13.291 0.000) 13.291 4.635 ( 0.055 -7.400 0.000) 7.400 4.635 ( -0.115 -7.015 0.000) 7.016 4.635 ( -0.196 6.898 0.000) 6.900 4.635 ( 0.138 7.517 0.000) 7.519 4.857 ( 0.754 -2.269 0.000) 2.391 4.857 ( 0.754 2.269 0.000) 2.391 4.888 ( -2.815 -0.668 0.000) 2.893 4.888 ( -2.815 0.668 0.000) 2.893 5.265 ( 8.110 -1.180 0.000) 8.196 5.265 ( 8.110 1.181 0.000) 8.196 5.438 ( -8.736 -1.792 0.000) 8.918 5.438 ( -8.736 1.792 0.000) 8.918 5.967 ( 1.465 -3.092 0.000) 3.421 5.967 ( 1.465 3.092 0.000) 3.421 5.970 ( 1.276 -3.247 0.000) 3.489 5.970 ( 1.276 3.247 0.000) 3.489 6.505 ( 2.206 -0.951 0.000) 2.402 6.505 ( 2.206 0.951 0.000) 2.402 6.546 ( -1.779 -0.687 0.000) 1.907 6.546 ( -1.779 0.687 0.000) 1.907 7.708 ( 1.870 -5.513 0.000) 5.822 7.708 ( 1.870 5.513 0.000) 5.822 7.736 ( -1.335 -7.220 0.000) 7.342 7.736 ( -1.335 7.220 0.000) 7.343 8.344 ( 4.968 -1.188 0.000) 5.108 8.344 ( 4.968 1.188 0.000) 5.108 8.356 ( 2.891 -4.482 0.000) 5.334 8.356 ( 2.891 4.482 0.000) 5.334 8.874 ( -0.723 -1.955 0.000) 2.085 8.874 ( -0.723 1.955 0.000) 2.085 8.876 ( 0.270 -6.372 0.000) 6.378 8.876 ( 0.270 6.372 0.000) 6.378 9.291 ( 0.070 -13.195 0.000) 13.195 9.291 ( 0.070 13.195 0.000) 13.195 9.401 ( -9.786 -10.872 0.000) 14.628 9.401 ( -9.786 10.872 0.000) 14.628 10.386 ( 4.598 -13.370 0.000) 14.138 10.386 ( 4.598 13.370 0.000) 14.138 10.395 ( 3.521 -21.497 0.000) 21.784 10.395 ( 3.521 21.497 0.000) 21.784 10.787 ( 0.993 -5.591 0.000) 5.678 10.787 ( 0.993 5.591 0.000) 5.678 10.862 ( -5.939 -11.953 0.000) 13.347 10.862 ( -5.939 11.953 0.000) 13.347 11.140 ( 2.369 -5.332 0.000) 5.835 11.140 ( 2.369 5.332 0.000) 5.835 11.218 ( -5.665 -6.110 0.000) 8.332 11.218 ( -5.665 6.110 0.000) 8.332 12.356 ( 5.843 -4.528 0.000) 7.392 12.356 ( 5.843 4.528 0.000) 7.392 12.482 ( -6.275 -3.869 0.000) 7.371 12.482 ( -6.275 3.869 0.000) 7.371 12.664 ( 13.595 -6.869 0.000) 15.232 12.664 ( 13.595 6.869 0.000) 15.232 12.941 ( -13.833 -6.882 0.000) 15.450 12.941 ( -13.833 6.882 0.000) 15.450 15.598 ( 1.832 -2.135 0.000) 2.813 15.598 ( 1.832 2.135 0.000) 2.813 15.643 ( -2.627 -1.209 0.000) 2.892 15.643 ( -2.627 1.209 0.000) 2.892 16.119 ( 7.852 -5.377 0.000) 9.517 16.119 ( 7.852 5.377 0.000) 9.517 16.249 ( -5.037 -4.995 0.000) 7.094 16.249 ( -5.037 4.996 0.000) 7.094 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 0.000 26.125) 26.125 0.622 ( 0.000 0.000 29.012) 29.012 1.066 ( 0.000 0.000 46.614) 46.614 1.511 ( 0.000 0.000 -11.127) 11.127 1.620 ( 0.000 0.000 -16.719) 16.719 1.721 ( 0.000 0.000 16.995) 16.995 2.067 ( 0.000 0.000 3.202) 3.202 2.251 ( 0.000 0.000 -3.742) 3.742 2.298 ( 0.000 0.000 9.893) 9.893 2.307 ( 0.000 0.000 3.437) 3.437 2.409 ( 0.000 0.000 1.697) 1.697 2.464 ( 0.000 0.000 5.251) 5.251 2.470 ( 0.000 0.000 -1.108) 1.108 2.530 ( 0.000 0.000 1.927) 1.927 2.558 ( 0.000 0.000 -4.865) 4.865 2.644 ( 0.000 0.000 -8.606) 8.606 2.672 ( 0.000 0.000 -20.267) 20.267 2.786 ( 0.000 0.000 -5.929) 5.929 2.812 ( 0.000 0.000 -8.243) 8.243 3.093 ( 0.000 0.000 6.118) 6.118 3.213 ( 0.000 0.000 -27.595) 27.595 3.284 ( 0.000 0.000 -2.531) 2.531 3.521 ( 0.000 0.000 0.598) 0.598 3.623 ( 0.000 0.000 5.966) 5.966 3.829 ( 0.000 0.000 -8.691) 8.691 4.009 ( 0.000 0.000 19.115) 19.115 4.327 ( 0.000 0.000 2.026) 2.026 4.423 ( 0.000 0.000 -6.569) 6.569 4.476 ( 0.000 0.000 4.865) 4.865 4.847 ( 0.000 0.000 -1.655) 1.655 4.970 ( 0.000 0.000 -0.928) 0.928 5.074 ( 0.000 0.000 5.915) 5.915 5.230 ( 0.000 0.000 10.402) 10.402 5.369 ( 0.000 0.000 2.718) 2.718 5.546 ( 0.000 0.000 -9.411) 9.411 5.564 ( 0.000 0.000 -3.809) 3.809 5.698 ( 0.000 0.000 -0.297) 0.297 5.866 ( 0.000 0.000 -0.066) 0.066 6.349 ( 0.000 0.000 10.288) 10.288 6.638 ( 0.000 0.000 -2.241) 2.241 6.927 ( 0.000 0.000 3.225) 3.225 7.036 ( 0.000 0.000 -0.130) 0.130 7.447 ( 0.000 0.000 3.708) 3.708 7.576 ( 0.000 0.000 -4.868) 4.868 7.639 ( 0.000 0.000 -5.482) 5.482 7.668 ( 0.000 0.000 -4.047) 4.047 7.832 ( 0.000 0.000 4.641) 4.641 7.869 ( 0.000 0.000 0.164) 0.164 7.903 ( 0.000 0.000 0.788) 0.788 8.040 ( 0.000 0.000 -8.718) 8.718 8.523 ( 0.000 0.000 2.125) 2.125 8.576 ( 0.000 0.000 -0.029) 0.029 8.664 ( 0.000 0.000 15.343) 15.343 9.193 ( 0.000 0.000 -9.069) 9.069 9.672 ( 0.000 0.000 1.299) 1.299 9.717 ( 0.000 0.000 5.000) 5.000 9.753 ( 0.000 0.000 -1.765) 1.765 10.023 ( 0.000 0.000 11.179) 11.179 10.141 ( 0.000 0.000 -6.059) 6.059 10.413 ( 0.000 0.000 0.803) 0.803 10.453 ( 0.000 0.000 -0.734) 0.734 10.516 ( 0.000 0.000 -11.353) 11.353 11.009 ( 0.000 0.000 0.769) 0.769 11.231 ( 0.000 0.000 -11.116) 11.116 11.867 ( 0.000 0.000 13.241) 13.241 12.181 ( 0.000 0.000 -3.270) 3.270 12.290 ( 0.000 0.000 5.047) 5.047 12.647 ( 0.000 0.000 -6.798) 6.798 13.031 ( 0.000 0.000 0.273) 0.273 13.045 ( 0.000 0.000 -0.261) 0.261 13.051 ( 0.000 0.000 0.244) 0.244 13.064 ( 0.000 0.000 -0.240) 0.240 13.129 ( 0.000 0.000 7.369) 7.369 13.395 ( 0.000 0.000 -2.910) 2.910 13.419 ( 0.000 0.000 0.901) 0.901 13.526 ( 0.000 0.000 -2.569) 2.569 14.940 ( 0.000 0.000 2.460) 2.460 15.075 ( 0.000 0.000 -2.578) 2.578 15.902 ( 0.000 0.000 0.234) 0.234 15.970 ( 0.000 0.000 -1.994) 1.994 17.091 ( 0.000 0.000 5.553) 5.553 17.360 ( 0.000 0.000 -4.921) 4.921 17.791 ( 0.000 0.000 3.498) 3.498 17.949 ( 0.000 0.000 -2.488) 2.488 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 20.218 0.000 18.019) 27.082 0.822 ( 17.327 0.000 21.151) 27.342 1.258 ( 18.157 0.000 37.382) 41.558 1.594 ( 7.656 0.000 -13.005) 15.091 1.674 ( 5.128 0.000 -14.473) 15.354 1.834 ( -1.181 0.000 8.721) 8.801 1.968 ( -11.751 0.000 2.704) 12.058 2.155 ( -5.110 0.000 -0.968) 5.201 2.257 ( -3.949 0.000 3.917) 5.562 2.357 ( 4.114 0.000 13.770) 14.372 2.391 ( 0.245 0.000 -2.317) 2.330 2.447 ( -2.431 0.000 0.079) 2.432 2.522 ( -4.700 0.000 -6.255) 7.824 2.541 ( -0.745 0.000 -2.980) 3.072 2.558 ( 5.070 0.000 -4.335) 6.671 2.656 ( 8.243 0.000 3.611) 8.999 2.740 ( 1.877 0.000 -15.250) 15.365 2.831 ( 6.407 0.000 -11.668) 13.311 2.839 ( 3.559 0.000 -2.678) 4.454 3.094 ( 0.458 0.000 4.592) 4.614 3.175 ( -0.599 0.000 -15.348) 15.360 3.263 ( -2.116 0.000 -2.409) 3.207 3.468 ( -1.021 0.000 5.834) 5.922 3.636 ( -3.973 0.000 -2.961) 4.955 3.857 ( -3.459 0.000 10.254) 10.822 3.967 ( -2.571 0.000 -11.403) 11.689 4.188 ( -4.945 0.000 -10.541) 11.644 4.395 ( -6.502 0.000 -6.159) 8.956 4.678 ( 4.852 0.000 4.472) 6.599 4.743 ( -0.361 0.000 1.422) 1.467 4.850 ( -6.471 0.000 6.757) 9.356 5.085 ( -2.623 0.000 -2.905) 3.914 5.241 ( 0.391 0.000 8.180) 8.189 5.353 ( -3.734 0.000 8.254) 9.059 5.428 ( 2.423 0.000 -0.671) 2.514 5.686 ( 4.186 0.000 -5.872) 7.211 5.789 ( 5.593 0.000 -0.828) 5.654 5.926 ( 3.435 0.000 -3.672) 5.028 6.270 ( -3.676 0.000 13.035) 13.544 6.631 ( -2.966 0.000 -3.527) 4.608 6.925 ( -0.067 0.000 2.948) 2.949 7.012 ( -2.181 0.000 0.286) 2.200 7.585 ( 0.750 0.000 -5.091) 5.146 7.634 ( -0.526 0.000 -5.488) 5.513 7.666 ( 2.144 0.000 -2.175) 3.054 7.758 ( 11.619 0.000 -9.835) 15.223 7.844 ( 6.056 0.000 4.674) 7.650 7.852 ( 1.909 0.000 4.503) 4.891 7.916 ( 0.957 0.000 1.129) 1.480 8.205 ( 10.294 0.000 -10.390) 14.626 8.528 ( 0.520 0.000 1.916) 1.985 8.573 ( -0.354 0.000 0.113) 0.372 8.811 ( 15.506 0.000 10.085) 18.497 9.224 ( 3.549 0.000 -8.051) 8.798 9.671 ( 0.040 0.000 1.011) 1.012 9.686 ( -2.839 0.000 3.897) 4.822 9.737 ( -1.414 0.000 -1.490) 2.054 9.882 ( -9.301 0.000 4.910) 10.517 10.096 ( -6.907 0.000 1.645) 7.101 10.420 ( 0.597 0.000 0.637) 0.873 10.452 ( -0.153 0.000 -0.601) 0.620 10.463 ( -10.014 0.000 -8.111) 12.887 11.030 ( 2.870 0.000 1.645) 3.309 11.191 ( -0.154 0.000 -2.567) 2.571 11.930 ( 2.002 0.000 11.417) 11.591 12.148 ( -16.506 0.000 6.262) 17.654 12.194 ( 0.412 0.000 -2.251) 2.288 12.269 ( -11.930 0.000 3.383) 12.400 13.033 ( 0.176 0.000 0.272) 0.324 13.046 ( 0.091 0.000 -0.191) 0.212 13.050 ( -0.110 0.000 0.179) 0.210 13.062 ( -0.170 0.000 -0.243) 0.297 13.136 ( 0.602 0.000 5.602) 5.635 13.318 ( -6.031 0.000 -0.044) 6.031 13.403 ( 0.674 0.000 -1.511) 1.654 13.500 ( -1.782 0.000 -2.490) 3.062 15.134 ( 11.802 0.000 -0.073) 11.802 15.313 ( 13.401 0.000 -11.645) 17.754 15.929 ( 3.104 0.000 1.201) 3.328 16.045 ( 4.269 0.000 -2.804) 5.107 17.099 ( 1.083 0.000 3.902) 4.049 17.360 ( -0.786 0.000 -5.050) 5.111 17.639 ( -15.551 0.000 10.617) 18.830 17.720 ( -8.074 0.000 3.066) 8.636 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 20.614 0.000 15.805) 25.976 1.220 ( 21.039 0.000 12.763) 24.607 1.563 ( -9.705 0.000 16.415) 19.070 1.624 ( -18.330 0.000 7.935) 19.974 1.724 ( 15.189 0.000 13.466) 20.299 1.814 ( 8.259 0.000 -7.163) 10.932 1.835 ( 7.780 0.000 -12.099) 14.385 2.013 ( -8.911 0.000 -6.669) 11.131 2.205 ( -7.320 0.000 -6.516) 9.800 2.251 ( 2.454 0.000 3.373) 4.172 2.323 ( -4.375 0.000 0.157) 4.378 2.405 ( -17.281 0.000 -4.306) 17.809 2.471 ( 2.371 0.000 -2.157) 3.205 2.514 ( -1.809 0.000 -3.282) 3.748 2.798 ( 5.616 0.000 4.131) 6.971 2.816 ( 17.996 0.000 9.787) 20.485 2.857 ( 10.722 0.000 -3.095) 11.160 2.869 ( -1.192 0.000 2.398) 2.678 2.947 ( 1.654 0.000 -5.498) 5.742 3.129 ( 3.190 0.000 0.309) 3.204 3.140 ( -6.843 0.000 5.021) 8.488 3.203 ( -3.673 0.000 -1.856) 4.115 3.440 ( 0.717 0.000 -2.818) 2.907 3.546 ( -6.468 0.000 -11.121) 12.865 3.776 ( 0.721 0.000 -2.530) 2.630 3.942 ( -1.687 0.000 -11.412) 11.536 4.088 ( -5.070 0.000 -10.591) 11.742 4.212 ( -6.547 0.000 -12.457) 14.072 4.697 ( 0.956 0.000 1.656) 1.912 4.707 ( -3.544 0.000 1.156) 3.727 4.848 ( 2.892 0.000 1.344) 3.189 4.936 ( -7.855 0.000 2.372) 8.205 5.285 ( 3.101 0.000 7.364) 7.991 5.328 ( -0.892 0.000 7.975) 8.024 5.567 ( 7.964 0.000 4.768) 9.283 5.678 ( -3.177 0.000 2.985) 4.359 5.905 ( 4.488 0.000 -2.247) 5.019 5.953 ( -0.461 0.000 -3.045) 3.079 6.300 ( 6.420 0.000 7.818) 10.116 6.484 ( -10.326 0.000 -0.140) 10.327 6.932 ( 0.925 0.000 2.210) 2.395 6.964 ( -2.228 0.000 1.221) 2.541 7.602 ( 0.919 0.000 -5.373) 5.451 7.620 ( -0.827 0.000 -5.471) 5.534 7.724 ( 2.806 0.000 -0.792) 2.916 7.762 ( -1.271 0.000 -0.402) 1.333 7.897 ( 2.154 0.000 3.681) 4.265 7.924 ( -0.439 0.000 2.256) 2.298 8.130 ( 12.392 0.000 -4.557) 13.204 8.292 ( -2.735 0.000 -7.858) 8.320 8.543 ( 0.928 0.000 1.296) 1.594 8.561 ( -0.798 0.000 0.572) 0.982 9.231 ( 23.050 0.000 1.032) 23.073 9.383 ( 12.387 0.000 -5.318) 13.480 9.584 ( -8.540 0.000 1.013) 8.600 9.678 ( 0.815 0.000 0.232) 0.848 9.702 ( -11.852 0.000 -1.822) 11.991 9.704 ( -1.668 0.000 -0.738) 1.824 9.936 ( -2.965 0.000 8.415) 8.923 10.119 ( -18.861 0.000 2.588) 19.038 10.434 ( 0.733 0.000 0.227) 0.767 10.446 ( -0.465 0.000 -0.242) 0.524 11.137 ( 7.239 0.000 4.519) 8.534 11.235 ( 0.189 0.000 4.288) 4.292 11.818 ( -3.999 0.000 1.877) 4.418 11.905 ( -9.663 0.000 0.422) 9.672 12.206 ( 2.582 0.000 -1.305) 2.893 12.232 ( 0.230 0.000 -1.562) 1.578 13.037 ( 0.293 0.000 0.265) 0.395 13.043 ( -0.288 0.000 0.230) 0.368 13.052 ( 0.264 0.000 -0.230) 0.350 13.058 ( -0.277 0.000 -0.249) 0.372 13.157 ( 1.668 0.000 3.083) 3.505 13.212 ( -4.082 0.000 1.195) 4.253 13.430 ( 1.744 0.000 -1.684) 2.424 13.465 ( -1.707 0.000 -1.999) 2.629 15.357 ( 9.011 0.000 -0.614) 9.032 15.447 ( 0.654 0.000 -5.292) 5.332 16.007 ( 4.046 0.000 1.994) 4.511 16.070 ( -1.655 0.000 0.938) 1.903 17.151 ( 4.465 0.000 0.577) 4.502 17.273 ( -7.070 0.000 -0.822) 7.117 17.499 ( 0.404 0.000 3.053) 3.079 17.570 ( -6.117 0.000 0.916) 6.185 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 18.272 17.570) 25.349 0.852 ( 0.000 19.449 19.779) 27.739 1.496 ( 0.000 20.337 -1.415) 20.386 1.654 ( 0.000 27.073 20.988) 34.256 1.665 ( 0.000 4.414 -1.935) 4.819 1.906 ( 0.000 15.997 -2.740) 16.230 2.259 ( 0.000 17.903 4.243) 18.399 2.272 ( 0.000 -0.570 9.090) 9.108 2.404 ( 0.000 7.503 -6.966) 10.238 2.418 ( 0.000 5.480 1.847) 5.783 2.465 ( 0.000 4.982 -1.492) 5.201 2.524 ( 0.000 9.436 -3.833) 10.185 2.631 ( 0.000 10.689 -7.174) 12.874 2.651 ( 0.000 14.313 1.644) 14.407 2.680 ( 0.000 10.703 2.691) 11.036 2.747 ( 0.000 13.856 -1.034) 13.895 2.754 ( 0.000 8.138 -7.245) 10.896 2.833 ( 0.000 9.258 -5.161) 10.599 3.019 ( 0.000 17.033 -7.237) 18.507 3.263 ( 0.000 5.613 -20.101) 20.870 3.274 ( 0.000 13.586 4.791) 14.406 3.479 ( 0.000 17.347 -2.729) 17.560 3.519 ( 0.000 4.456 1.470) 4.692 3.649 ( 0.000 3.437 0.287) 3.449 3.855 ( 0.000 2.915 -9.561) 9.996 3.954 ( 0.000 -2.891 21.161) 21.357 4.314 ( 0.000 -1.045 -10.734) 10.785 4.386 ( 0.000 -1.054 7.657) 7.729 4.476 ( 0.000 0.050 2.326) 2.326 4.832 ( 0.000 -1.402 0.222) 1.419 4.920 ( 0.000 -7.021 10.796) 12.878 4.941 ( 0.000 -2.600 -1.783) 3.153 5.219 ( 0.000 -0.863 9.114) 9.155 5.384 ( 0.000 1.547 1.869) 2.426 5.503 ( 0.000 -3.527 -7.302) 8.109 5.545 ( 0.000 -1.619 -2.970) 3.383 5.658 ( 0.000 -2.765 1.232) 3.027 5.839 ( 0.000 -1.594 -0.450) 1.657 6.234 ( 0.000 -8.566 5.666) 10.271 6.484 ( 0.000 -11.976 -4.263) 12.712 7.225 ( 0.000 10.704 -1.135) 10.764 7.370 ( 0.000 -0.617 5.541) 5.576 7.410 ( 0.000 18.847 -14.531) 23.799 7.597 ( 0.000 -3.182 -4.446) 5.467 7.742 ( 0.000 10.188 -0.379) 10.195 7.774 ( 0.000 6.488 -4.225) 7.743 7.930 ( 0.000 8.615 -3.236) 9.203 8.013 ( 0.000 6.305 -6.014) 8.714 8.070 ( 0.000 14.393 -0.089) 14.394 8.136 ( 0.000 19.571 -0.585) 19.580 8.654 ( 0.000 -0.446 15.789) 15.795 8.685 ( 0.000 15.106 1.234) 15.156 8.707 ( 0.000 11.357 0.672) 11.376 9.180 ( 0.000 -1.107 -7.339) 7.422 9.468 ( 0.000 -8.991 3.593) 9.682 9.758 ( 0.000 0.129 -4.249) 4.250 9.899 ( 0.000 3.629 3.927) 5.347 10.053 ( 0.000 7.407 5.844) 9.435 10.091 ( 0.000 -6.253 -2.284) 6.657 10.239 ( 0.000 -8.249 -3.392) 8.919 10.485 ( 0.000 2.332 -0.133) 2.336 10.564 ( 0.000 -0.341 -3.655) 3.671 11.018 ( 0.000 0.839 1.277) 1.528 11.337 ( 0.000 4.213 -16.624) 17.150 11.938 ( 0.000 3.546 10.911) 11.473 12.185 ( 0.000 -0.824 -1.820) 1.998 12.194 ( 0.000 -11.593 3.734) 12.180 12.471 ( 0.000 -18.563 -5.011) 19.227 12.712 ( 0.000 -8.723 8.617) 12.262 12.844 ( 0.000 -9.331 -2.628) 9.694 12.956 ( 0.000 -6.866 3.273) 7.606 12.984 ( 0.000 -4.463 1.373) 4.670 13.165 ( 0.000 1.815 5.864) 6.139 13.381 ( 0.000 -5.359 -1.096) 5.470 13.414 ( 0.000 -1.878 -2.112) 2.826 13.443 ( 0.000 -8.269 -2.291) 8.581 15.262 ( 0.000 14.337 -0.808) 14.359 15.389 ( 0.000 19.890 -12.341) 23.407 15.909 ( 0.000 0.795 1.232) 1.466 16.082 ( 0.000 8.441 -9.950) 13.048 17.013 ( 0.000 -7.461 4.918) 8.936 17.251 ( 0.000 -10.453 -4.097) 11.227 17.608 ( 0.000 -22.929 12.069) 25.911 17.645 ( 0.000 -13.584 2.590) 13.829 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 11.945 11.118 17.634) 24.026 1.033 ( 13.382 15.583 17.785) 27.170 1.542 ( 6.532 6.256 -8.671) 12.530 1.754 ( 10.233 24.559 18.770) 32.561 1.831 ( 7.240 14.710 -4.054) 16.889 1.924 ( -0.687 13.394 -3.782) 13.935 2.127 ( -12.681 11.723 4.014) 17.730 2.319 ( -2.887 12.596 0.456) 12.931 2.345 ( 3.897 6.031 8.877) 11.417 2.465 ( 2.558 3.581 -1.478) 4.643 2.470 ( -1.599 12.916 0.603) 13.028 2.514 ( 0.170 3.502 -0.725) 3.580 2.572 ( -2.746 9.695 -4.317) 10.963 2.622 ( -1.288 11.122 -2.589) 11.492 2.663 ( 0.833 9.170 -4.706) 10.341 2.799 ( 3.334 10.737 -0.835) 11.274 2.859 ( 4.853 11.777 -3.613) 13.240 2.892 ( 7.682 11.450 -5.923) 15.007 3.030 ( 1.219 15.386 -3.266) 15.776 3.212 ( -1.748 7.591 -2.748) 8.260 3.315 ( 2.193 15.116 -4.917) 16.046 3.452 ( -2.684 16.207 -1.843) 16.531 3.477 ( -1.822 3.047 4.396) 5.650 3.674 ( -3.335 5.400 -3.598) 7.296 3.852 ( -2.890 -0.273 9.885) 10.303 3.926 ( 0.488 -1.582 -9.880) 10.018 4.175 ( -7.740 0.007 -11.436) 13.809 4.352 ( -5.280 -2.772 -4.483) 7.460 4.626 ( 6.791 -2.809 8.084) 10.926 4.728 ( -2.846 -1.238 3.113) 4.396 4.831 ( -4.781 -1.591 6.774) 8.443 5.025 ( -1.633 -4.731 -4.405) 6.668 5.215 ( -1.002 -2.012 7.232) 7.573 5.330 ( -5.104 -2.418 6.371) 8.514 5.419 ( 4.358 0.177 2.518) 5.036 5.670 ( 7.160 -1.672 -5.178) 8.993 5.723 ( 1.721 -2.837 -1.292) 3.561 5.887 ( 3.000 -2.924 -3.357) 5.368 6.165 ( -2.138 -7.811 9.847) 12.749 6.504 ( -0.959 -10.177 -4.903) 11.337 7.236 ( 0.443 16.029 -0.953) 16.064 7.330 ( -1.741 22.423 -4.393) 22.916 7.540 ( 6.332 -1.963 -2.548) 7.102 7.602 ( 2.111 -4.128 -1.386) 4.839 7.718 ( -3.304 4.848 -1.593) 6.079 7.817 ( -3.324 3.288 1.259) 4.842 7.856 ( 7.822 6.695 -4.751) 11.339 8.075 ( 2.354 17.821 1.949) 18.081 8.137 ( 0.281 18.741 -0.612) 18.753 8.217 ( 9.255 1.853 -9.867) 13.655 8.671 ( 0.530 12.102 2.276) 12.326 8.697 ( -0.676 10.574 0.462) 10.606 8.814 ( 14.095 1.790 9.708) 17.208 9.201 ( 3.182 -1.625 -6.685) 7.580 9.505 ( 3.403 -6.680 3.486) 8.268 9.729 ( -2.954 -0.893 -2.845) 4.198 9.815 ( -6.627 2.585 3.396) 7.883 9.929 ( -7.333 3.642 -0.494) 8.203 10.101 ( -4.395 1.920 2.581) 5.447 10.240 ( -0.037 -9.170 -1.320) 9.265 10.454 ( -2.651 0.603 1.820) 3.271 10.518 ( -7.030 -0.695 -2.920) 7.644 11.055 ( 4.100 1.811 1.516) 4.732 11.288 ( -1.973 5.079 -9.204) 10.695 11.957 ( -1.433 0.321 10.453) 10.556 12.070 ( -10.261 -6.826 4.980) 13.292 12.180 ( -1.696 -2.428 -2.223) 3.703 12.285 ( -8.974 -0.756 -1.005) 9.062 12.746 ( 2.772 -15.041 1.510) 15.369 12.789 ( -2.169 -15.171 -1.293) 15.380 12.927 ( -3.114 -8.699 2.758) 9.643 13.013 ( 0.617 -2.329 -1.066) 2.635 13.149 ( -0.262 -1.385 3.975) 4.218 13.321 ( -3.536 -4.708 -1.023) 5.977 13.426 ( 3.003 -1.327 -0.499) 3.321 13.526 ( 2.384 -1.965 -2.003) 3.682 15.318 ( 6.126 13.261 0.027) 14.608 15.473 ( 5.158 10.939 -9.275) 15.241 15.946 ( 3.553 1.360 1.812) 4.214 16.121 ( 1.977 5.852 -6.364) 8.869 17.016 ( 0.656 -7.889 3.508) 8.659 17.247 ( -1.340 -10.832 -3.682) 11.519 17.471 ( -8.438 -14.022 10.552) 19.472 17.578 ( -6.074 -12.858 1.841) 14.339 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 23.119 3.492 12.391) 26.462 1.326 ( 15.082 10.155 14.655) 23.353 1.583 ( -7.827 2.174 6.068) 10.140 1.694 ( -18.931 5.287 7.801) 21.147 1.927 ( 6.829 10.302 -6.134) 13.799 2.019 ( 7.688 13.602 -13.173) 20.436 2.031 ( 5.627 23.037 4.824) 24.200 2.211 ( -6.734 17.165 -5.299) 19.185 2.271 ( -3.973 7.917 -4.338) 9.864 2.395 ( -3.376 12.894 0.843) 13.355 2.451 ( -2.137 12.869 3.486) 13.503 2.533 ( -6.502 13.368 -0.758) 14.885 2.617 ( 1.065 11.957 -1.822) 12.142 2.627 ( -0.121 8.713 -2.679) 9.116 2.833 ( 18.909 2.744 10.852) 21.974 2.891 ( 7.027 8.203 -1.516) 10.907 2.967 ( 3.963 10.586 -0.496) 11.315 2.989 ( 2.022 11.297 1.082) 11.528 3.054 ( -0.628 12.427 3.108) 12.825 3.160 ( -6.813 5.061 5.097) 9.900 3.352 ( 1.377 18.302 -1.216) 18.393 3.391 ( -2.368 14.750 -1.078) 14.978 3.451 ( 0.706 2.702 -1.110) 3.005 3.548 ( -7.322 2.056 -7.820) 10.909 3.793 ( -0.055 2.339 -2.135) 3.168 3.931 ( -4.528 0.193 -11.389) 12.258 4.069 ( 0.659 -0.554 -11.280) 11.312 4.206 ( -6.398 -0.201 -11.889) 13.503 4.676 ( 1.408 -1.966 1.733) 2.975 4.708 ( -4.270 0.187 0.144) 4.276 4.795 ( 3.207 -3.674 3.743) 6.148 4.885 ( -7.421 -4.074 2.868) 8.938 5.246 ( 3.080 -3.429 7.592) 8.882 5.296 ( -1.423 -2.866 8.635) 9.209 5.550 ( 7.015 -0.876 4.576) 8.421 5.659 ( -4.018 -1.248 2.916) 5.119 5.837 ( 5.558 -4.942 -3.290) 8.133 5.902 ( -1.208 -3.821 -3.908) 5.598 6.230 ( 7.502 -5.314 5.140) 10.533 6.404 ( -8.313 -6.606 -1.882) 10.784 7.247 ( 1.076 21.507 -0.303) 21.536 7.285 ( -2.568 26.337 -1.712) 26.517 7.594 ( 1.177 -0.932 -2.540) 2.951 7.617 ( -1.584 -1.306 -3.666) 4.201 7.722 ( 3.870 -0.740 2.483) 4.657 7.781 ( -1.869 3.483 1.937) 4.402 8.037 ( 7.345 8.834 -0.139) 11.490 8.116 ( -1.346 15.123 0.933) 15.212 8.157 ( 5.375 7.782 -3.298) 10.017 8.277 ( -3.522 -0.477 -8.625) 9.328 8.678 ( 0.366 11.920 1.158) 11.981 8.687 ( -0.421 10.900 0.624) 10.926 9.208 ( 22.495 -1.683 2.129) 22.659 9.357 ( 12.142 -1.306 -4.978) 13.187 9.540 ( -5.550 -1.706 0.007) 5.806 9.615 ( -10.271 -3.180 -2.800) 11.110 9.704 ( 0.256 0.146 5.055) 5.063 9.807 ( -5.485 4.528 0.816) 7.159 9.979 ( -2.765 3.289 2.544) 4.994 10.116 ( -13.544 -0.141 -1.934) 13.682 10.380 ( -1.095 -3.445 4.256) 5.584 10.404 ( -2.304 -2.865 2.950) 4.714 11.184 ( 8.070 3.277 2.962) 9.200 11.294 ( -0.756 3.758 0.670) 3.891 11.820 ( -4.407 -0.000 1.936) 4.813 11.891 ( -8.757 -1.287 1.081) 8.917 12.176 ( 1.579 -4.281 -3.050) 5.488 12.208 ( -1.622 -2.507 -2.914) 4.172 12.775 ( 1.596 -17.828 1.624) 17.973 12.809 ( 0.230 -13.991 1.696) 14.096 12.884 ( 1.296 -10.347 0.410) 10.436 12.964 ( -4.425 -4.634 -1.723) 6.635 13.192 ( 3.489 -0.792 2.063) 4.130 13.259 ( -3.074 -1.153 0.444) 3.313 13.485 ( 2.796 0.281 -0.753) 2.909 13.530 ( -1.437 0.308 -1.592) 2.167 15.460 ( 6.483 8.606 -0.422) 10.783 15.530 ( -0.082 6.965 -3.889) 7.978 16.033 ( 4.659 2.161 2.253) 5.608 16.113 ( -2.769 3.427 0.183) 4.409 17.058 ( 3.831 -8.875 0.299) 9.671 17.163 ( -6.057 -10.262 -0.827) 11.945 17.398 ( 0.556 -9.635 2.477) 9.964 17.456 ( -5.020 -10.739 0.763) 11.879 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 20.694 9.547) 22.790 1.293 ( 0.000 21.803 7.778) 23.149 1.739 ( 0.000 12.158 -7.687) 14.384 1.833 ( 0.000 12.133 -1.926) 12.285 2.213 ( 0.000 11.356 -9.344) 14.706 2.280 ( 0.000 0.908 6.851) 6.911 2.396 ( 0.000 10.598 -3.589) 11.189 2.452 ( 0.000 2.556 -1.422) 2.925 2.576 ( 0.000 38.158 12.370) 40.114 2.626 ( 0.000 6.724 -5.119) 8.451 2.720 ( 0.000 0.520 -10.293) 10.306 2.742 ( 0.000 25.728 5.075) 26.224 2.902 ( 0.000 18.714 -2.416) 18.869 2.955 ( 0.000 15.225 6.358) 16.499 2.995 ( 0.000 19.757 0.765) 19.771 3.046 ( 0.000 20.935 1.259) 20.973 3.144 ( 0.000 20.459 3.648) 20.781 3.195 ( 0.000 16.682 -1.361) 16.737 3.370 ( 0.000 19.194 -7.023) 20.439 3.429 ( 0.000 9.291 1.972) 9.498 3.552 ( 0.000 15.158 8.893) 17.575 3.792 ( 0.000 15.067 1.931) 15.190 3.793 ( 0.000 14.055 -9.738) 17.098 3.937 ( 0.000 19.743 -3.117) 19.987 3.966 ( 0.000 8.979 11.378) 14.494 4.000 ( 0.000 16.423 -13.553) 21.293 4.267 ( 0.000 -2.821 -14.069) 14.349 4.439 ( 0.000 6.812 10.805) 12.773 4.480 ( 0.000 0.403 -3.079) 3.105 4.795 ( 0.000 -5.941 8.460) 10.337 4.797 ( 0.000 -1.624 3.122) 3.519 4.882 ( 0.000 -2.538 -4.417) 5.094 5.208 ( 0.000 0.333 6.454) 6.462 5.376 ( 0.000 -5.335 -2.320) 5.818 5.469 ( 0.000 3.882 0.382) 3.901 5.512 ( 0.000 -1.269 -0.769) 1.483 5.615 ( 0.000 -1.408 4.963) 5.159 5.830 ( 0.000 0.737 -1.703) 1.856 6.077 ( 0.000 -6.161 0.104) 6.161 6.224 ( 0.000 -12.692 -4.711) 13.539 7.227 ( 0.000 -3.202 3.380) 4.656 7.443 ( 0.000 -5.021 -5.653) 7.561 7.478 ( 0.000 3.418 2.029) 3.975 7.617 ( 0.000 -0.495 0.695) 0.853 7.926 ( 0.000 7.299 -9.855) 12.264 7.968 ( 0.000 5.326 -2.717) 5.978 8.080 ( 0.000 9.483 -2.876) 9.910 8.182 ( 0.000 13.996 -2.680) 14.250 8.538 ( 0.000 22.272 1.541) 22.325 8.578 ( 0.000 21.710 -0.441) 21.715 8.693 ( 0.000 6.386 15.068) 16.365 8.933 ( 0.000 7.706 3.441) 8.440 9.051 ( 0.000 13.939 -4.853) 14.760 9.200 ( 0.000 8.636 -0.826) 8.675 9.351 ( 0.000 -2.222 3.673) 4.293 9.724 ( 0.000 -3.350 -12.276) 12.725 9.909 ( 0.000 -9.140 0.174) 9.142 9.911 ( 0.000 1.743 1.026) 2.023 10.159 ( 0.000 -1.158 5.897) 6.010 10.295 ( 0.000 13.043 0.119) 13.043 10.499 ( 0.000 -5.087 0.080) 5.087 10.520 ( 0.000 0.815 -1.422) 1.639 11.046 ( 0.000 2.184 2.263) 3.145 11.350 ( 0.000 -2.053 -10.713) 10.908 11.829 ( 0.000 -11.729 4.995) 12.748 11.976 ( 0.000 -16.497 -4.545) 17.112 12.035 ( 0.000 -2.832 5.318) 6.025 12.228 ( 0.000 -3.311 3.539) 4.846 12.700 ( 0.000 -7.209 -5.133) 8.850 12.766 ( 0.000 -0.023 -1.616) 1.616 12.779 ( 0.000 -1.962 5.569) 5.904 12.899 ( 0.000 -5.033 2.755) 5.737 13.168 ( 0.000 -2.104 3.269) 3.888 13.189 ( 0.000 -10.898 -1.239) 10.968 13.214 ( 0.000 -13.207 -2.840) 13.509 13.307 ( 0.000 -8.659 -2.508) 9.015 15.514 ( 0.000 8.707 -0.059) 8.707 15.636 ( 0.000 7.315 -6.064) 9.502 15.935 ( 0.000 1.594 3.793) 4.114 16.204 ( 0.000 2.748 -9.600) 9.986 16.803 ( 0.000 -12.659 3.349) 13.094 16.958 ( 0.000 -17.267 -1.483) 17.330 17.171 ( 0.000 -20.411 8.528) 22.121 17.283 ( 0.000 -20.553 1.022) 20.579 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 2.629 20.377 9.238) 22.527 1.394 ( 8.807 17.990 8.520) 21.767 1.685 ( 0.755 10.621 -5.451) 11.962 1.976 ( 5.328 10.703 -3.706) 12.517 2.195 ( -3.496 9.102 -11.411) 15.009 2.286 ( -8.071 8.887 0.742) 12.028 2.361 ( 5.928 3.176 3.578) 7.618 2.481 ( -3.420 4.712 -2.397) 6.296 2.573 ( -0.022 6.162 -2.322) 6.585 2.684 ( 11.936 30.546 10.290) 34.372 2.690 ( -0.113 11.442 -3.813) 12.061 2.776 ( 2.228 21.003 1.222) 21.156 2.875 ( -0.826 18.001 -0.904) 18.043 2.947 ( -2.347 19.351 0.873) 19.513 2.975 ( -5.449 20.563 1.921) 21.359 3.041 ( 5.688 17.456 -1.032) 18.388 3.207 ( 2.367 18.286 2.609) 18.622 3.240 ( 3.358 12.775 4.311) 13.894 3.355 ( -0.447 17.106 -4.739) 17.756 3.436 ( 0.019 13.019 2.162) 13.197 3.556 ( 0.776 14.867 6.750) 16.346 3.737 ( -2.314 16.700 -2.538) 17.049 3.842 ( -6.440 11.903 -1.742) 13.645 3.886 ( 3.452 14.741 -2.619) 15.365 3.918 ( -4.842 13.870 4.340) 15.318 4.041 ( 3.203 17.239 -13.877) 22.361 4.217 ( -5.690 3.828 -11.081) 13.031 4.325 ( -5.549 2.500 -3.732) 7.140 4.582 ( 2.823 -1.750 7.134) 7.870 4.695 ( -0.901 -1.572 3.655) 4.079 4.804 ( -1.491 -0.352 6.152) 6.340 4.927 ( -2.390 -4.056 -4.415) 6.454 5.178 ( -2.866 -1.174 4.408) 5.387 5.261 ( -3.230 -3.810 3.727) 6.233 5.457 ( 2.212 3.419 4.245) 5.882 5.626 ( 6.575 -1.643 -1.962) 7.055 5.704 ( 1.797 0.181 -2.558) 3.131 5.837 ( 1.452 -1.784 -2.092) 3.110 6.008 ( -1.254 -7.043 4.945) 8.696 6.279 ( 1.714 -11.202 -5.384) 12.546 7.357 ( 9.818 -2.496 1.747) 10.280 7.462 ( 4.176 -2.730 1.494) 5.208 7.561 ( 5.553 1.196 -1.918) 5.995 7.653 ( 3.632 3.108 0.650) 4.824 7.867 ( -8.279 8.857 -2.934) 12.474 7.940 ( 1.759 5.185 -10.969) 12.260 8.005 ( -3.203 10.196 4.627) 11.646 8.298 ( 4.379 6.221 -8.285) 11.248 8.528 ( -1.146 22.872 2.012) 22.988 8.566 ( -0.992 21.191 0.171) 21.215 8.801 ( 9.949 4.457 8.663) 13.925 8.896 ( -1.619 5.590 1.586) 6.032 9.051 ( 0.232 14.888 0.101) 14.890 9.232 ( 4.264 7.380 -0.752) 8.556 9.426 ( 6.736 -0.332 2.697) 7.263 9.704 ( -2.908 -1.195 -6.525) 7.242 9.848 ( -5.645 0.471 0.024) 5.664 9.888 ( -1.140 -3.657 -2.877) 4.791 10.105 ( -5.451 -1.290 5.874) 8.117 10.276 ( -2.427 10.000 -1.015) 10.340 10.445 ( -6.207 -5.151 0.248) 8.070 10.469 ( -4.299 0.224 1.498) 4.558 11.090 ( 4.778 1.816 2.065) 5.513 11.323 ( -1.276 -1.134 -7.529) 7.720 11.833 ( -0.430 -9.177 2.001) 9.402 11.975 ( -1.490 -10.552 -1.261) 10.731 11.996 ( -2.078 -5.406 2.590) 6.344 12.237 ( -0.898 -1.767 1.222) 2.329 12.541 ( -8.772 -8.786 1.089) 12.463 12.714 ( -2.149 4.986 -2.227) 5.869 12.769 ( -8.043 -6.009 4.182) 10.876 12.943 ( 5.790 -5.695 -0.515) 8.138 13.038 ( -4.524 -9.919 -0.944) 10.943 13.159 ( -1.104 -8.378 0.692) 8.478 13.319 ( 3.827 -8.419 -1.235) 9.330 13.387 ( 4.119 -10.608 -1.044) 11.428 15.552 ( 3.562 8.345 -0.152) 9.075 15.653 ( 1.511 6.681 -5.106) 8.544 15.978 ( 3.946 1.510 3.954) 5.787 16.210 ( -0.129 2.164 -5.822) 6.212 16.793 ( -0.420 -13.393 2.453) 13.622 16.950 ( -1.500 -17.143 -1.126) 17.245 17.141 ( -1.817 -17.776 5.481) 18.691 17.237 ( -3.942 -19.396 0.646) 19.803 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 17.130 12.051 8.486) 22.599 1.595 ( 10.205 13.829 8.225) 19.054 1.694 ( -4.889 9.367 0.157) 10.567 1.827 ( -17.102 8.232 6.965) 20.217 2.118 ( 2.793 8.601 -7.969) 12.053 2.244 ( -4.469 7.922 -14.477) 17.097 2.360 ( 1.584 10.536 -10.596) 15.026 2.500 ( -6.124 9.190 -10.734) 15.401 2.578 ( 10.160 11.452 10.313) 18.459 2.728 ( -0.114 12.228 4.202) 12.931 2.816 ( 1.443 22.558 1.760) 22.673 2.839 ( -1.578 13.191 3.944) 13.859 2.861 ( -0.065 12.961 -0.429) 12.968 2.901 ( -2.701 19.176 1.262) 19.407 3.068 ( 16.075 22.624 6.838) 28.583 3.140 ( 3.677 15.131 -1.642) 15.657 3.197 ( 0.267 13.309 1.870) 13.443 3.319 ( 1.869 17.234 2.615) 17.531 3.337 ( -2.756 13.614 1.253) 13.947 3.385 ( -5.478 14.082 3.157) 15.437 3.599 ( 3.223 16.223 0.406) 16.545 3.663 ( -3.304 13.549 0.362) 13.951 3.737 ( -2.734 12.848 -0.654) 13.152 3.804 ( -5.918 21.303 1.075) 22.136 3.939 ( 2.047 12.805 0.233) 12.970 4.029 ( -7.761 10.270 -3.619) 13.371 4.148 ( 4.572 11.297 -14.573) 18.997 4.239 ( -3.420 5.725 -13.036) 14.643 4.624 ( 3.587 -2.831 1.167) 4.716 4.721 ( -4.467 0.888 -3.451) 5.714 4.747 ( 1.137 0.298 4.257) 4.416 4.811 ( -5.430 -2.093 2.727) 6.427 5.169 ( 2.505 -3.193 7.501) 8.529 5.231 ( -2.363 -2.803 8.276) 9.051 5.552 ( 5.918 1.191 3.109) 6.790 5.652 ( -4.042 0.981 1.907) 4.575 5.749 ( 5.003 -3.028 -3.320) 6.725 5.828 ( -2.712 -3.123 -5.048) 6.526 6.102 ( 8.008 -7.416 2.385) 11.171 6.244 ( -5.097 -8.991 -3.114) 10.794 7.483 ( 4.809 0.833 1.188) 5.023 7.574 ( -2.191 -1.420 -1.166) 2.860 7.658 ( 7.156 -1.909 4.524) 8.679 7.724 ( 0.929 7.188 1.014) 7.318 7.775 ( 2.618 17.676 -2.019) 17.983 7.900 ( -6.335 9.826 2.271) 11.910 8.057 ( 8.746 -2.213 -9.189) 12.877 8.247 ( -8.250 -0.469 -8.845) 12.105 8.511 ( -0.031 21.015 2.366) 21.148 8.535 ( -2.013 20.223 1.294) 20.364 8.905 ( 1.710 8.085 0.625) 8.287 8.933 ( -0.102 9.629 -0.187) 9.632 9.208 ( 17.195 2.695 3.167) 17.691 9.405 ( 12.447 7.118 -2.184) 14.504 9.514 ( -7.622 -1.904 -0.563) 7.876 9.609 ( -2.192 3.437 -0.463) 4.103 9.722 ( -2.620 4.195 2.970) 5.769 9.869 ( -6.626 2.385 5.043) 8.662 9.987 ( 0.300 -2.664 -4.200) 4.982 10.140 ( -10.972 0.843 -4.465) 11.876 10.343 ( -1.023 0.494 4.669) 4.805 10.378 ( -3.821 0.543 3.801) 5.417 11.228 ( 7.804 0.795 1.872) 8.065 11.321 ( -0.628 -1.320 -1.177) 1.877 11.801 ( -0.871 -1.802 0.501) 2.063 11.872 ( -6.844 -0.236 2.198) 7.192 12.018 ( 3.311 -9.052 -6.244) 11.484 12.128 ( -7.672 -4.318 -6.518) 10.954 12.490 ( 3.393 -9.410 7.623) 12.577 12.603 ( -7.143 -7.829 8.731) 13.731 12.758 ( 5.634 -1.520 -3.567) 6.839 12.895 ( -6.972 -3.136 -4.227) 8.735 13.086 ( 4.550 -8.885 0.508) 9.995 13.141 ( -1.240 -9.092 -0.104) 9.176 13.380 ( 2.482 -9.826 -0.219) 10.137 13.417 ( -0.741 -10.537 -0.934) 10.604 15.634 ( 3.757 7.054 -0.803) 8.032 15.674 ( -0.098 6.190 -2.746) 6.772 16.075 ( 5.317 1.480 3.628) 6.604 16.172 ( -3.832 1.730 0.800) 4.280 16.810 ( 2.479 -14.773 -0.391) 14.984 16.886 ( -4.388 -16.140 -1.120) 16.763 17.130 ( 0.606 -15.908 1.316) 15.974 17.163 ( -2.835 -17.048 0.388) 17.286 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 0.000 17.291 4.425) 17.848 1.696 ( 0.000 17.209 -0.684) 17.223 2.020 ( 0.000 14.926 0.582) 14.937 2.131 ( 0.000 16.031 -3.239) 16.355 2.300 ( 0.000 1.269 4.353) 4.534 2.336 ( 0.000 2.217 -2.001) 2.987 2.514 ( 0.000 6.443 -6.956) 9.482 2.558 ( 0.000 6.101 -5.056) 7.924 2.723 ( 0.000 0.853 -9.558) 9.596 2.738 ( 0.000 6.189 -12.637) 14.071 3.078 ( 0.000 3.575 5.717) 6.743 3.127 ( 0.000 2.827 10.296) 10.677 3.233 ( 0.000 20.538 5.519) 21.266 3.451 ( 0.000 7.967 1.594) 8.125 3.475 ( 0.000 17.987 -0.525) 17.995 3.478 ( 0.000 29.412 2.700) 29.536 3.495 ( 0.000 25.829 5.398) 26.387 3.560 ( 0.000 29.352 1.277) 29.380 3.669 ( 0.000 14.973 3.112) 15.293 3.693 ( 0.000 0.709 13.780) 13.798 3.832 ( 0.000 21.331 -1.582) 21.389 4.023 ( 0.000 5.597 0.690) 5.639 4.070 ( 0.000 9.289 -2.346) 9.581 4.212 ( 0.000 10.964 -2.597) 11.268 4.333 ( 0.000 22.655 -9.453) 24.548 4.428 ( 0.000 12.351 -4.510) 13.149 4.443 ( 0.000 23.500 -4.075) 23.851 4.543 ( 0.000 11.162 -8.523) 14.044 4.610 ( 0.000 0.716 8.454) 8.484 4.744 ( 0.000 9.884 3.097) 10.358 4.794 ( 0.000 2.686 0.182) 2.692 4.878 ( 0.000 2.879 -7.804) 8.319 5.258 ( 0.000 -4.868 1.198) 5.013 5.273 ( 0.000 7.849 3.111) 8.443 5.501 ( 0.000 -0.379 2.064) 2.099 5.602 ( 0.000 1.190 8.643) 8.724 5.603 ( 0.000 8.679 -1.714) 8.846 5.855 ( 0.000 1.259 0.325) 1.300 5.992 ( 0.000 -9.065 -4.102) 9.950 5.996 ( 0.000 -1.629 -2.350) 2.859 7.187 ( 0.000 -0.231 2.120) 2.133 7.355 ( 0.000 -2.821 -5.436) 6.124 7.518 ( 0.000 2.264 4.798) 5.305 7.594 ( 0.000 -0.663 3.974) 4.029 7.980 ( 0.000 -0.990 -6.416) 6.492 8.025 ( 0.000 2.718 -7.356) 7.842 8.246 ( 0.000 3.264 4.410) 5.487 8.404 ( 0.000 6.281 -2.994) 6.958 8.817 ( 0.000 9.060 9.593) 13.195 8.930 ( 0.000 4.723 3.333) 5.781 8.964 ( 0.000 15.065 -1.482) 15.138 9.022 ( 0.000 7.141 4.735) 8.569 9.163 ( 0.000 5.250 -4.313) 6.795 9.336 ( 0.000 -0.139 4.467) 4.470 9.485 ( 0.000 4.069 -10.092) 10.881 9.703 ( 0.000 -1.373 -12.130) 12.208 9.783 ( 0.000 5.054 4.852) 7.006 10.032 ( 0.000 9.368 -4.102) 10.227 10.141 ( 0.000 -0.958 11.125) 11.167 10.422 ( 0.000 -0.577 4.785) 4.819 10.511 ( 0.000 4.441 -4.626) 6.413 10.548 ( 0.000 5.332 -1.542) 5.550 11.124 ( 0.000 5.713 2.518) 6.244 11.281 ( 0.000 -4.198 -3.241) 5.303 11.628 ( 0.000 -8.336 1.690) 8.506 11.782 ( 0.000 -1.811 -6.951) 7.183 11.957 ( 0.000 -4.428 4.326) 6.190 12.173 ( 0.000 -2.726 5.736) 6.351 12.471 ( 0.000 -16.083 -3.503) 16.460 12.548 ( 0.000 -11.215 7.748) 13.631 12.707 ( 0.000 -13.201 4.732) 14.023 12.885 ( 0.000 -2.709 -7.378) 7.860 12.948 ( 0.000 -11.783 -3.896) 12.411 13.068 ( 0.000 -0.756 2.434) 2.548 13.081 ( 0.000 -12.310 -6.148) 13.759 13.125 ( 0.000 1.938 1.618) 2.524 15.611 ( 0.000 1.397 -0.076) 1.399 15.745 ( 0.000 3.837 -6.076) 7.186 15.953 ( 0.000 -0.569 6.009) 6.036 16.211 ( 0.000 -1.423 -4.219) 4.452 16.525 ( 0.000 -13.899 2.039) 14.047 16.591 ( 0.000 -17.739 0.577) 17.749 16.754 ( 0.000 -20.404 3.543) 20.710 16.863 ( 0.000 -19.188 -0.777) 19.204 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.602 18.922 4.033) 19.356 1.718 ( 3.849 13.896 -1.783) 14.529 1.971 ( -0.622 15.901 2.325) 16.082 2.208 ( 2.657 10.698 -3.578) 11.590 2.304 ( -8.304 3.517 -3.878) 9.817 2.404 ( 9.274 3.458 2.483) 10.205 2.492 ( 1.097 9.642 -3.005) 10.159 2.530 ( -2.246 2.811 -4.683) 5.906 2.664 ( -2.317 4.646 -6.557) 8.363 2.785 ( 3.723 4.147 -8.026) 9.771 2.989 ( -1.211 3.727 3.798) 5.458 3.234 ( 0.594 13.688 6.013) 14.962 3.254 ( -1.025 9.110 5.659) 10.774 3.309 ( -6.371 8.121 -0.568) 10.338 3.446 ( -4.056 18.199 2.857) 18.863 3.462 ( -1.488 17.752 1.429) 17.871 3.519 ( 1.285 19.301 1.130) 19.377 3.570 ( 5.053 31.779 5.372) 32.623 3.659 ( 0.463 7.871 4.737) 9.198 3.759 ( -1.800 18.261 -0.027) 18.350 3.891 ( 7.839 18.257 2.431) 20.017 3.996 ( -1.592 9.292 2.876) 9.856 4.091 ( 0.288 12.472 0.281) 12.478 4.156 ( -4.725 10.216 -2.882) 11.619 4.314 ( -1.931 18.935 -4.592) 19.580 4.389 ( 0.407 16.646 -7.789) 18.383 4.449 ( -2.916 13.624 -1.449) 14.008 4.537 ( -1.820 9.542 -2.024) 9.923 4.566 ( -1.921 8.226 1.965) 8.673 4.755 ( 2.517 10.590 -2.160) 11.097 4.836 ( 3.072 4.270 0.995) 5.354 4.921 ( -0.646 5.172 -3.881) 6.498 5.169 ( -1.940 -0.234 2.647) 3.290 5.250 ( -2.270 6.746 -1.153) 7.211 5.551 ( -0.463 5.907 6.037) 8.459 5.637 ( 7.701 1.699 -0.239) 7.890 5.699 ( 5.797 -0.476 1.049) 5.910 5.815 ( -3.170 0.204 2.352) 3.953 5.900 ( -3.791 -2.944 -1.317) 4.977 6.066 ( 1.496 -8.852 -4.394) 9.996 7.301 ( 10.066 -1.708 2.147) 10.433 7.425 ( 5.815 -0.405 -1.478) 6.014 7.561 ( 4.177 0.796 2.444) 4.905 7.681 ( 7.437 0.592 3.177) 8.108 7.927 ( -2.606 0.083 -4.339) 5.062 8.042 ( -0.710 2.681 -5.223) 5.914 8.171 ( -4.362 4.707 2.854) 7.024 8.396 ( -4.001 1.784 -5.875) 7.328 8.858 ( 1.502 6.405 2.873) 7.179 8.939 ( -0.905 12.454 -0.730) 12.508 8.942 ( 3.892 6.322 4.136) 8.498 8.985 ( -1.655 9.973 2.860) 10.506 9.250 ( 3.375 7.357 0.015) 8.094 9.322 ( 2.734 0.425 5.168) 5.862 9.515 ( 0.865 -1.060 -9.412) 9.511 9.753 ( 4.687 -3.661 -8.626) 10.478 9.770 ( -0.312 11.189 3.275) 11.662 10.003 ( -2.750 8.919 -2.778) 9.737 10.109 ( -3.730 1.266 7.923) 8.849 10.329 ( -9.857 -2.118 2.617) 10.416 10.444 ( -4.431 2.499 -0.800) 5.150 10.512 ( -3.731 5.618 -0.222) 6.748 11.151 ( 3.147 4.509 1.932) 5.829 11.274 ( -0.390 -3.013 -2.700) 4.065 11.685 ( 4.638 -5.415 -0.976) 7.196 11.818 ( 3.276 -2.099 -6.162) 7.287 11.916 ( -2.948 -4.223 4.461) 6.814 12.191 ( -0.035 -3.598 0.860) 3.700 12.383 ( -4.870 -7.173 6.102) 10.602 12.594 ( -3.063 -15.064 3.088) 15.679 12.706 ( -2.676 -5.978 2.296) 6.940 12.753 ( -3.534 -11.278 1.542) 11.919 12.876 ( -2.043 -5.904 -7.052) 9.422 13.038 ( -2.564 -5.291 -5.995) 8.397 13.130 ( 1.308 -10.222 1.148) 10.369 13.174 ( 2.348 -4.140 -0.234) 4.765 15.650 ( 3.531 1.710 -0.652) 3.977 15.756 ( 0.931 3.604 -5.581) 6.709 15.988 ( 3.369 -1.134 5.981) 6.957 16.214 ( -0.224 -1.474 -1.859) 2.383 16.498 ( -1.846 -14.813 1.956) 15.056 16.588 ( -1.132 -17.613 0.477) 17.656 16.762 ( 0.956 -18.738 1.581) 18.828 16.838 ( -2.027 -18.324 -0.875) 18.456 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 8.516 14.917 3.957) 17.626 1.814 ( 1.749 9.385 -1.814) 9.717 1.971 ( -1.277 14.518 2.364) 14.764 2.019 ( -11.146 10.003 4.849) 15.741 2.294 ( 3.719 8.662 -6.822) 11.636 2.402 ( -6.665 7.919 -10.743) 14.918 2.543 ( 5.246 7.892 -8.254) 12.567 2.621 ( 3.154 5.332 -4.297) 7.539 2.712 ( 7.117 4.812 6.868) 10.999 2.851 ( 1.096 3.045 3.359) 4.664 3.000 ( 0.218 3.399 0.600) 3.458 3.046 ( -8.602 6.132 -0.312) 10.568 3.276 ( 2.656 7.693 0.430) 8.149 3.296 ( 1.493 14.395 6.197) 15.743 3.363 ( -3.927 18.393 3.294) 19.094 3.390 ( -6.894 6.715 -1.503) 9.740 3.582 ( 4.754 17.277 -0.203) 17.920 3.644 ( 0.311 13.456 1.350) 13.527 3.683 ( 1.457 19.689 -3.357) 20.026 3.719 ( -0.621 17.637 -0.917) 17.672 3.978 ( -0.872 15.296 2.840) 15.582 3.996 ( -0.356 16.517 3.350) 16.857 4.090 ( 1.403 22.482 7.412) 23.714 4.098 ( 2.587 15.010 1.312) 15.288 4.283 ( -2.871 15.120 -3.059) 15.691 4.321 ( -7.620 20.933 2.620) 22.430 4.408 ( 3.088 9.042 -0.903) 9.597 4.486 ( -3.223 6.861 -0.997) 7.646 4.630 ( 7.318 8.667 -7.218) 13.445 4.766 ( -3.677 4.522 -5.805) 8.226 4.855 ( -0.114 12.603 -2.549) 12.859 4.882 ( -1.938 10.364 -2.503) 10.836 5.174 ( 2.782 5.624 4.469) 7.704 5.234 ( -1.552 5.494 2.124) 6.091 5.598 ( 5.061 3.613 3.040) 6.922 5.706 ( -3.742 4.400 1.141) 5.888 5.738 ( 2.081 2.103 0.668) 3.033 5.787 ( -2.305 -0.320 -2.602) 3.491 5.920 ( 6.898 -10.324 1.128) 12.467 6.041 ( -4.030 -10.524 -2.986) 11.658 7.495 ( 7.021 0.638 1.162) 7.145 7.564 ( 5.215 0.834 -0.380) 5.295 7.612 ( 3.009 0.059 5.896) 6.620 7.771 ( -4.413 -0.276 6.265) 7.668 7.959 ( 8.671 -2.440 -4.637) 10.131 8.038 ( 3.340 6.310 -0.459) 7.154 8.125 ( -2.025 6.578 -5.444) 8.776 8.217 ( -11.866 -2.495 -6.928) 13.965 8.874 ( -0.074 12.654 1.062) 12.699 8.897 ( -2.260 13.821 0.731) 14.023 8.997 ( 3.749 2.381 0.694) 4.495 9.047 ( 0.725 3.223 -0.225) 3.311 9.290 ( 6.370 4.235 0.724) 7.683 9.450 ( -6.034 -3.910 -3.819) 8.142 9.522 ( 12.910 2.524 4.631) 13.946 9.762 ( -4.575 7.544 2.573) 9.190 9.880 ( 5.976 3.098 -3.042) 7.387 9.933 ( -1.589 2.944 0.276) 3.356 9.988 ( -5.796 10.378 -0.600) 11.902 10.097 ( -10.826 -2.184 -0.273) 11.047 10.387 ( -0.800 2.641 2.560) 3.764 10.422 ( -4.037 4.277 1.612) 6.098 11.236 ( 4.041 0.617 0.836) 4.172 11.274 ( -0.062 -2.291 -0.560) 2.360 11.782 ( 5.196 0.221 -1.288) 5.357 11.862 ( -1.601 -1.462 2.190) 3.082 11.903 ( 4.056 -1.606 -7.560) 8.728 12.063 ( -11.137 -2.460 -6.381) 13.069 12.364 ( 2.851 -3.956 11.141) 12.161 12.453 ( -6.198 -7.629 8.893) 13.255 12.664 ( 1.273 -10.621 0.943) 10.739 12.731 ( -4.166 -13.725 0.346) 14.347 12.916 ( 5.085 -7.055 -6.907) 11.106 12.992 ( -2.449 -5.223 -6.732) 8.865 13.144 ( 0.827 -11.341 1.769) 11.508 13.174 ( -1.659 -9.620 0.516) 9.776 15.726 ( 3.434 2.134 -2.057) 4.536 15.766 ( -0.456 2.780 -3.982) 4.878 16.077 ( 5.240 -1.590 5.681) 7.891 16.176 ( -3.887 -1.315 3.506) 5.397 16.486 ( 1.246 -16.266 -0.532) 16.322 16.539 ( -3.305 -17.078 -0.647) 17.407 16.785 ( 1.037 -16.819 -0.241) 16.853 16.804 ( -1.160 -16.850 -0.712) 16.905 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.000 13.110 1.313) 13.175 1.992 ( 0.000 11.808 -4.141) 12.513 2.308 ( 0.000 11.726 3.373) 12.202 2.346 ( 0.000 4.235 4.375) 6.089 2.361 ( 0.000 1.434 0.232) 1.452 2.454 ( 0.000 14.309 -2.200) 14.478 2.631 ( 0.000 1.488 -6.193) 6.370 2.635 ( 0.000 4.275 -7.827) 8.919 2.799 ( 0.000 7.585 -5.002) 9.086 2.921 ( 0.000 10.681 -11.106) 15.409 3.116 ( 0.000 1.815 7.595) 7.809 3.120 ( 0.000 -2.016 10.662) 10.851 3.525 ( 0.000 4.358 8.872) 9.885 3.582 ( 0.000 9.142 -5.020) 10.430 3.626 ( 0.000 -2.146 11.433) 11.632 3.664 ( 0.000 0.799 -4.797) 4.863 3.874 ( 0.000 1.708 2.406) 2.951 3.888 ( 0.000 5.890 -5.354) 7.959 3.897 ( 0.000 9.063 2.657) 9.445 3.907 ( 0.000 6.702 4.965) 8.341 4.192 ( 0.000 14.811 1.701) 14.909 4.204 ( 0.000 7.515 -3.245) 8.185 4.398 ( 0.000 27.127 0.004) 27.127 4.521 ( 0.000 9.268 2.160) 9.516 4.523 ( 0.000 6.890 4.212) 8.076 4.581 ( 0.000 11.182 5.905) 12.645 4.674 ( 0.000 1.722 -6.976) 7.185 4.818 ( 0.000 11.797 -6.723) 13.579 4.925 ( 0.000 18.183 0.232) 18.185 4.950 ( 0.000 10.199 -7.104) 12.430 5.041 ( 0.000 14.974 -4.220) 15.558 5.053 ( 0.000 18.171 -2.711) 18.372 5.215 ( 0.000 1.186 3.660) 3.847 5.438 ( 0.000 -3.598 1.092) 3.761 5.588 ( 0.000 20.230 2.610) 20.398 5.737 ( 0.000 10.407 3.132) 10.868 5.797 ( 0.000 8.434 -4.897) 9.752 5.845 ( 0.000 0.418 3.151) 3.179 5.963 ( 0.000 7.444 -0.062) 7.444 6.016 ( 0.000 4.286 -0.045) 4.287 7.228 ( 0.000 4.311 1.199) 4.475 7.351 ( 0.000 2.735 -4.585) 5.339 7.607 ( 0.000 6.618 5.110) 8.361 7.610 ( 0.000 2.387 5.248) 5.765 7.958 ( 0.000 -0.943 -5.021) 5.109 8.058 ( 0.000 1.118 -5.744) 5.852 8.232 ( 0.000 -3.567 6.160) 7.118 8.434 ( 0.000 -2.521 -3.571) 4.372 8.915 ( 0.000 -0.661 7.271) 7.301 8.945 ( 0.000 3.144 7.249) 7.901 9.120 ( 0.000 -0.658 2.135) 2.234 9.179 ( 0.000 7.501 -4.683) 8.842 9.315 ( 0.000 1.813 -8.014) 8.217 9.374 ( 0.000 3.893 1.474) 4.162 9.414 ( 0.000 1.352 -2.684) 3.005 9.563 ( 0.000 -10.416 -9.493) 14.093 9.995 ( 0.000 6.708 0.032) 6.708 10.156 ( 0.000 1.869 7.956) 8.172 10.239 ( 0.000 9.872 -6.437) 11.785 10.514 ( 0.000 9.294 10.313) 13.883 10.542 ( 0.000 0.394 -6.735) 6.746 10.657 ( 0.000 3.479 1.588) 3.824 11.184 ( 0.000 -5.788 4.171) 7.134 11.254 ( 0.000 5.821 0.138) 5.823 11.441 ( 0.000 -9.994 3.275) 10.517 11.853 ( 0.000 4.127 -10.152) 10.959 11.911 ( 0.000 0.903 0.569) 1.068 11.950 ( 0.000 -18.433 -5.168) 19.144 12.274 ( 0.000 -0.038 9.874) 9.874 12.323 ( 0.000 -10.819 6.838) 12.799 12.367 ( 0.000 -19.198 8.518) 21.003 12.658 ( 0.000 -15.715 -4.965) 16.481 12.763 ( 0.000 -6.202 -4.523) 7.676 12.842 ( 0.000 -10.751 -8.329) 13.600 13.108 ( 0.000 3.585 2.754) 4.520 13.240 ( 0.000 6.048 -2.933) 6.722 15.601 ( 0.000 -1.705 0.044) 1.705 15.795 ( 0.000 0.826 -9.006) 9.043 15.891 ( 0.000 -5.233 6.808) 8.587 16.137 ( 0.000 -7.746 -2.407) 8.111 16.249 ( 0.000 -13.254 1.670) 13.359 16.292 ( 0.000 -9.522 4.708) 10.623 16.362 ( 0.000 -16.490 1.846) 16.593 16.563 ( 0.000 -9.224 -2.613) 9.587 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 2.461 13.254 0.437) 13.487 1.979 ( -0.460 11.747 -4.345) 12.533 2.268 ( -2.415 12.151 5.290) 13.471 2.348 ( 1.809 3.837 1.728) 4.581 2.363 ( -3.831 2.417 0.191) 4.534 2.547 ( 4.935 9.404 -3.555) 11.199 2.595 ( -0.366 2.927 -5.608) 6.336 2.655 ( 4.465 7.070 -3.904) 9.229 2.806 ( -0.265 8.019 -5.100) 9.507 2.901 ( 0.539 8.276 -3.999) 9.207 3.046 ( -1.491 2.918 1.917) 3.796 3.231 ( 2.827 -1.794 8.495) 9.131 3.380 ( -11.480 1.479 3.505) 12.094 3.508 ( -3.775 4.638 0.513) 6.002 3.611 ( -4.669 2.256 1.399) 5.371 3.662 ( -0.303 0.107 4.509) 4.520 3.804 ( -4.278 9.698 0.168) 10.601 3.885 ( 4.494 6.788 0.706) 8.171 3.948 ( 1.325 7.209 2.051) 7.611 4.058 ( 7.923 8.533 -0.373) 11.651 4.173 ( -0.686 8.607 -1.912) 8.843 4.193 ( -0.286 9.779 -1.682) 9.926 4.366 ( -3.400 16.486 1.078) 16.867 4.450 ( -4.766 0.976 2.622) 5.527 4.552 ( -0.179 7.027 3.955) 8.066 4.559 ( 2.745 25.963 5.541) 26.689 4.688 ( -1.043 6.778 -0.480) 6.875 4.808 ( -1.049 12.204 -4.836) 13.169 4.921 ( -2.763 16.586 1.369) 16.871 4.964 ( -0.946 12.975 -6.847) 14.701 5.013 ( 5.047 9.332 -6.627) 12.509 5.124 ( 2.986 14.459 -6.538) 16.147 5.287 ( 6.391 10.979 2.622) 12.971 5.515 ( 5.980 -0.004 -1.740) 6.228 5.584 ( 0.163 13.613 4.069) 14.209 5.730 ( -0.352 10.808 3.817) 11.468 5.799 ( 0.109 5.672 -2.676) 6.273 5.837 ( -0.835 1.843 2.011) 2.853 5.931 ( -2.955 8.900 0.611) 9.398 5.991 ( -2.512 3.428 -0.440) 4.273 7.311 ( 7.753 2.945 1.856) 8.498 7.448 ( 8.787 2.667 -4.110) 10.061 7.633 ( 2.900 6.353 4.912) 8.538 7.707 ( 7.328 2.025 5.332) 9.286 7.934 ( -2.085 1.322 -3.347) 4.159 8.055 ( -0.644 -0.523 -3.399) 3.499 8.197 ( -1.568 -1.928 2.063) 3.230 8.374 ( -7.269 -3.026 -4.415) 9.027 8.908 ( 0.172 1.475 4.528) 4.766 8.987 ( 4.635 -0.132 6.557) 8.031 9.108 ( -0.563 0.192 1.674) 1.776 9.145 ( -3.037 6.721 -4.744) 8.769 9.345 ( 0.562 -4.615 -6.174) 7.729 9.392 ( 1.736 6.495 0.073) 6.723 9.449 ( 2.304 3.997 -0.206) 4.618 9.624 ( 7.402 -7.992 -7.819) 13.409 9.973 ( -2.550 4.037 0.091) 4.776 10.079 ( -6.272 0.047 6.628) 9.125 10.234 ( -1.676 8.209 -5.960) 10.282 10.365 ( -11.694 2.531 -1.465) 12.054 10.527 ( -1.358 8.812 6.908) 11.280 10.631 ( -2.661 5.799 2.656) 6.912 11.213 ( 1.628 -2.625 1.090) 3.276 11.253 ( 0.038 3.901 -0.217) 3.908 11.536 ( 9.014 -10.641 2.700) 14.205 11.820 ( -3.161 -1.337 2.331) 4.149 11.883 ( 1.108 -3.813 -10.896) 11.597 12.001 ( 0.849 -8.812 -5.079) 10.206 12.284 ( 0.644 -7.600 9.054) 11.838 12.315 ( -1.442 -5.565 9.147) 10.803 12.399 ( 2.476 -16.532 5.484) 17.593 12.626 ( -3.244 -9.477 -4.630) 11.035 12.697 ( -4.292 -6.922 -3.152) 8.734 12.851 ( 0.314 -9.055 -7.803) 11.957 13.033 ( -4.644 -0.638 3.400) 5.791 13.216 ( -3.509 3.930 -3.855) 6.528 15.646 ( 3.934 -1.640 -1.148) 4.414 15.798 ( 0.065 0.009 -8.206) 8.206 15.918 ( 2.849 -5.018 6.520) 8.706 16.128 ( -0.524 -8.938 -1.841) 9.140 16.236 ( -1.047 -12.514 3.267) 12.976 16.257 ( -3.361 -10.931 5.347) 12.625 16.417 ( 4.262 -13.678 -0.533) 14.336 16.551 ( -0.963 -8.864 -2.507) 9.262 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 2.488 12.746 -0.205) 12.988 2.003 ( 0.479 8.972 -3.771) 9.744 2.206 ( -3.922 8.474 3.772) 10.071 2.223 ( -4.326 9.661 1.913) 10.757 2.447 ( 5.826 5.050 -1.808) 7.919 2.541 ( -2.913 5.611 -5.279) 8.236 2.684 ( 5.544 5.957 -4.847) 9.472 2.764 ( 0.672 6.819 -5.070) 8.524 2.844 ( 5.934 9.295 2.563) 11.321 2.932 ( 1.398 6.464 0.643) 6.645 3.044 ( 1.437 1.982 1.471) 2.855 3.135 ( -9.443 3.813 0.534) 10.198 3.259 ( 0.919 -2.649 2.305) 3.630 3.382 ( -9.798 -1.909 -2.443) 10.277 3.543 ( 1.245 3.776 6.009) 7.205 3.612 ( -4.445 2.016 8.317) 9.643 3.824 ( 5.438 7.896 -3.094) 10.074 3.933 ( -3.640 5.538 -6.129) 9.027 3.986 ( 4.160 14.666 -0.106) 15.245 4.056 ( -3.289 16.879 0.077) 17.197 4.159 ( 1.345 8.302 2.446) 8.758 4.259 ( -6.637 9.684 4.346) 12.518 4.328 ( 8.807 1.557 -0.677) 8.969 4.419 ( -0.020 0.361 -1.902) 1.936 4.540 ( 0.068 8.336 5.816) 10.165 4.588 ( -3.045 12.011 5.296) 13.475 4.682 ( 3.284 20.937 4.291) 21.623 4.764 ( -3.752 17.153 2.011) 17.673 4.885 ( 0.613 17.346 -2.893) 17.596 4.927 ( -2.573 12.296 -4.990) 13.517 5.124 ( 4.132 10.059 -10.335) 15.003 5.160 ( 0.320 13.539 -9.160) 16.350 5.426 ( 6.684 15.393 1.313) 16.833 5.529 ( -3.206 19.494 -0.598) 19.765 5.687 ( 7.233 -8.199 0.047) 10.934 5.739 ( 1.776 9.095 5.769) 10.916 5.786 ( -2.335 2.804 0.314) 3.662 5.806 ( -2.701 -0.341 1.838) 3.285 5.881 ( -0.513 11.417 0.114) 11.429 5.922 ( -3.778 5.915 -0.020) 7.018 7.499 ( 9.757 0.944 2.708) 10.169 7.619 ( 2.426 1.950 -1.948) 3.672 7.677 ( 3.842 6.589 4.944) 9.090 7.789 ( -3.364 3.590 5.822) 7.622 7.928 ( 6.334 0.837 -2.920) 7.025 8.097 ( 5.304 -0.162 -0.599) 5.340 8.142 ( -10.480 -2.896 -5.099) 12.009 8.196 ( -3.799 -0.662 -2.622) 4.663 8.967 ( 4.224 -0.138 1.627) 4.529 9.024 ( -0.901 -0.684 0.981) 1.498 9.096 ( -0.523 4.986 -1.972) 5.387 9.114 ( -0.714 3.162 0.883) 3.360 9.344 ( 0.419 -3.124 -4.264) 5.303 9.379 ( -2.535 -0.266 -2.483) 3.558 9.566 ( 10.660 2.521 3.375) 11.462 9.796 ( -0.133 -4.603 -6.665) 8.101 9.856 ( -2.624 3.185 6.934) 8.069 9.965 ( -4.706 -1.751 5.300) 7.301 10.156 ( -3.553 2.417 -4.823) 6.459 10.186 ( -5.150 6.275 -7.637) 11.145 10.518 ( 0.872 11.233 7.088) 13.311 10.563 ( -3.415 9.698 5.199) 11.522 11.240 ( 1.151 -1.348 -0.213) 1.785 11.254 ( -0.153 0.602 -0.582) 0.851 11.737 ( 9.054 -7.779 -0.463) 11.946 11.804 ( 1.391 -5.022 1.443) 5.407 11.901 ( 0.001 -3.855 -7.253) 8.213 11.952 ( -4.913 -8.653 -4.563) 10.947 12.260 ( -0.812 -8.709 6.815) 11.088 12.296 ( -3.300 -3.605 8.383) 9.703 12.420 ( 2.665 -10.185 3.096) 10.974 12.515 ( -6.046 -3.318 3.246) 7.623 12.725 ( 5.492 -10.107 -5.301) 12.666 12.826 ( -3.490 -8.194 -6.152) 10.825 13.003 ( 2.411 -3.925 0.532) 4.637 13.105 ( -6.565 -0.193 -3.099) 7.262 15.729 ( 3.757 -1.949 -3.693) 5.617 15.784 ( -1.662 -1.401 -6.295) 6.660 16.006 ( 5.612 -4.692 6.165) 9.566 16.110 ( -3.165 -6.183 3.220) 7.656 16.183 ( -1.025 -11.578 2.966) 11.995 16.211 ( -2.103 -14.676 1.821) 14.938 16.492 ( 2.860 -10.812 -1.501) 11.284 16.530 ( -1.190 -9.128 -2.002) 9.420 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 9.786 -0.273) 9.790 2.171 ( 0.000 5.913 -2.571) 6.448 2.392 ( 0.000 1.651 1.544) 2.261 2.451 ( 0.000 6.754 0.402) 6.766 2.504 ( 0.000 6.310 1.375) 6.458 2.629 ( 0.000 0.512 -6.122) 6.144 2.705 ( 0.000 3.103 -2.894) 4.242 2.725 ( 0.000 9.918 -3.040) 10.374 2.999 ( 0.000 10.500 -3.036) 10.930 3.044 ( 0.000 -1.067 11.321) 11.371 3.154 ( 0.000 7.542 -6.081) 9.688 3.187 ( 0.000 5.659 6.580) 8.679 3.518 ( 0.000 -7.809 8.546) 11.576 3.577 ( 0.000 2.296 0.587) 2.370 3.621 ( 0.000 -3.919 -5.758) 6.965 3.675 ( 0.000 -0.292 -3.018) 3.032 3.799 ( 0.000 -3.115 1.168) 3.326 3.895 ( 0.000 -4.784 0.175) 4.788 3.932 ( 0.000 -4.003 2.330) 4.632 3.939 ( 0.000 -2.709 2.443) 3.648 4.401 ( 0.000 8.913 -0.677) 8.938 4.477 ( 0.000 12.830 0.971) 12.866 4.566 ( 0.000 0.832 -0.620) 1.037 4.654 ( 0.000 2.474 -2.946) 3.847 4.695 ( 0.000 8.363 -3.275) 8.981 4.724 ( 0.000 6.572 2.236) 6.942 4.839 ( 0.000 -2.441 -0.789) 2.565 5.002 ( 0.000 8.513 -0.457) 8.526 5.108 ( 0.000 3.883 2.289) 4.507 5.242 ( 0.000 2.675 3.584) 4.472 5.242 ( 0.000 12.132 3.743) 12.696 5.334 ( 0.000 14.635 -7.163) 16.294 5.467 ( 0.000 19.340 -4.082) 19.766 5.533 ( 0.000 15.710 -1.771) 15.810 5.828 ( 0.000 -0.373 4.720) 4.735 5.844 ( 0.000 1.299 2.464) 2.785 6.031 ( 0.000 19.090 -2.732) 19.285 6.062 ( 0.000 14.999 -2.702) 15.240 6.211 ( 0.000 13.796 0.848) 13.822 6.219 ( 0.000 13.861 1.585) 13.951 7.355 ( 0.000 7.762 1.386) 7.885 7.461 ( 0.000 7.504 -3.662) 8.350 7.681 ( 0.000 3.795 5.577) 6.746 7.778 ( 0.000 9.486 4.190) 10.370 7.939 ( 0.000 -1.403 -3.933) 4.176 8.085 ( 0.000 1.601 -4.960) 5.212 8.156 ( 0.000 -2.248 4.828) 5.326 8.348 ( 0.000 -4.756 -3.618) 5.976 8.896 ( 0.000 -1.315 3.964) 4.176 9.003 ( 0.000 -4.020 3.365) 5.243 9.073 ( 0.000 4.944 6.920) 8.505 9.142 ( 0.000 -7.994 -3.601) 8.768 9.281 ( 0.000 -12.904 -8.608) 15.512 9.414 ( 0.000 9.349 -7.671) 12.093 9.468 ( 0.000 5.227 2.264) 5.696 9.608 ( 0.000 10.523 -2.435) 10.801 10.037 ( 0.000 -1.985 3.291) 3.843 10.148 ( 0.000 -3.227 7.444) 8.113 10.395 ( 0.000 3.963 -8.311) 9.208 10.523 ( 0.000 -1.392 -8.641) 8.752 10.700 ( 0.000 0.141 3.963) 3.966 10.722 ( 0.000 8.663 4.805) 9.906 11.029 ( 0.000 -7.671 9.849) 12.484 11.279 ( 0.000 -5.516 1.518) 5.721 11.320 ( 0.000 -1.498 -4.250) 4.507 11.487 ( 0.000 -16.845 -4.180) 17.356 11.847 ( 0.000 -21.428 10.352) 23.798 11.964 ( 0.000 0.347 3.274) 3.293 12.082 ( 0.000 4.860 -2.617) 5.520 12.091 ( 0.000 -10.256 -1.865) 10.425 12.363 ( 0.000 -10.376 -0.250) 10.379 12.377 ( 0.000 6.212 3.361) 7.063 12.635 ( 0.000 -9.528 -6.565) 11.571 12.683 ( 0.000 -2.166 -4.078) 4.617 13.188 ( 0.000 3.801 2.415) 4.503 13.324 ( 0.000 2.057 -3.155) 3.767 15.551 ( 0.000 -3.137 -1.306) 3.398 15.760 ( 0.000 -4.785 -9.970) 11.059 15.793 ( 0.000 -2.928 7.620) 8.164 15.924 ( 0.000 -10.298 0.978) 10.345 15.998 ( 0.000 -10.649 -0.869) 10.684 16.060 ( 0.000 -9.323 -3.313) 9.895 16.261 ( 0.000 1.060 8.597) 8.662 16.462 ( 0.000 -2.244 -1.516) 2.708 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 2.051 9.485 -1.367) 9.800 2.171 ( 0.122 6.653 -2.774) 7.209 2.385 ( -2.162 0.881 1.843) 2.974 2.443 ( 0.239 5.893 1.942) 6.209 2.470 ( -2.622 6.855 2.311) 7.695 2.632 ( 1.224 1.541 -4.662) 5.060 2.727 ( 1.114 6.367 -3.255) 7.237 2.764 ( 4.080 3.127 -5.912) 7.834 2.966 ( -0.408 7.279 3.269) 7.990 3.072 ( 2.218 5.339 3.418) 6.716 3.134 ( -2.010 6.816 -5.141) 8.771 3.238 ( 2.482 4.279 5.362) 7.295 3.423 ( -8.600 2.367 5.523) 10.491 3.493 ( -6.348 -3.474 -5.787) 9.266 3.552 ( -2.047 -5.226 9.998) 11.465 3.665 ( -3.732 0.161 -0.301) 3.748 3.842 ( -2.177 -3.652 -1.780) 4.609 3.917 ( 8.438 -3.207 -2.294) 9.313 3.954 ( 1.330 -4.259 1.621) 4.747 4.062 ( 9.379 -3.595 0.002) 10.044 4.394 ( -0.865 9.415 0.118) 9.455 4.431 ( -5.038 8.121 -1.117) 9.621 4.505 ( -2.058 6.420 0.508) 6.761 4.626 ( -4.964 9.744 -1.611) 11.053 4.698 ( 0.876 1.305 1.056) 1.893 4.725 ( -0.692 9.054 2.412) 9.395 4.872 ( 2.955 -2.542 -4.139) 5.685 4.997 ( -0.701 5.905 -3.809) 7.062 5.141 ( 2.943 6.970 4.626) 8.868 5.215 ( 0.091 12.352 2.133) 12.535 5.278 ( 1.629 1.237 2.044) 2.892 5.355 ( 1.016 13.633 -5.221) 14.634 5.522 ( 5.130 15.475 -3.982) 16.782 5.565 ( 2.469 13.421 0.217) 13.648 5.818 ( -0.943 2.075 3.606) 4.266 5.838 ( -0.604 1.538 1.776) 2.426 6.038 ( 0.503 18.257 -1.865) 18.359 6.060 ( 0.136 16.847 -2.187) 16.989 6.197 ( -1.383 14.513 1.157) 14.624 6.206 ( -1.073 14.210 1.207) 14.301 7.417 ( 5.692 6.925 1.805) 9.144 7.530 ( 6.222 5.034 -3.017) 8.553 7.745 ( 4.308 1.335 5.019) 6.748 7.812 ( 4.564 10.446 4.218) 12.155 7.982 ( 3.773 1.051 -3.726) 5.406 8.055 ( -2.954 1.979 -4.069) 5.403 8.133 ( -1.300 -1.868 3.602) 4.261 8.306 ( -4.757 -2.908 -3.906) 6.808 8.942 ( 2.876 0.263 4.019) 4.949 8.997 ( 0.090 1.215 6.091) 6.212 9.029 ( -0.962 -4.222 1.188) 4.490 9.152 ( 0.699 -6.386 -2.794) 7.005 9.314 ( -5.883 4.943 -5.483) 9.439 9.335 ( 2.095 -13.011 -5.772) 14.387 9.563 ( 5.381 9.281 -0.180) 10.729 9.651 ( 4.670 7.584 -3.834) 9.696 9.971 ( -5.391 -3.203 4.730) 7.855 10.037 ( -8.312 -4.390 6.228) 11.276 10.332 ( -7.729 1.230 -4.845) 9.204 10.426 ( -5.724 5.185 -9.519) 12.258 10.744 ( 2.497 6.228 5.051) 8.398 10.755 ( 1.946 8.929 5.986) 10.924 11.120 ( 6.159 -7.732 3.911) 10.631 11.261 ( -1.283 -7.245 -2.727) 7.847 11.336 ( 2.199 -3.191 1.280) 4.081 11.474 ( 0.346 -20.295 -2.888) 20.502 11.730 ( -6.827 -16.116 6.753) 18.760 11.954 ( -7.315 -12.300 -2.120) 14.467 12.090 ( 5.358 1.153 3.005) 6.251 12.196 ( 6.988 -0.799 0.805) 7.080 12.356 ( -0.978 2.934 2.435) 3.937 12.436 ( 5.887 -4.261 -0.032) 7.267 12.623 ( -3.086 -2.772 -4.854) 6.385 12.693 ( 2.622 -6.501 -5.661) 9.010 13.060 ( -10.322 2.510 4.135) 11.399 13.267 ( -6.306 0.764 -4.347) 7.697 15.585 ( 2.798 -4.182 -2.291) 5.529 15.732 ( -1.109 -5.639 -6.017) 8.321 15.848 ( 2.712 -2.171 2.193) 4.108 15.929 ( 0.620 -7.665 1.158) 7.776 15.939 ( -1.800 -12.911 1.622) 13.136 16.127 ( 2.280 -5.556 -1.690) 6.239 16.272 ( 1.959 -1.208 6.460) 6.858 16.450 ( -1.176 -2.485 -1.358) 3.066 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 0.030 7.997 -3.173) 8.604 2.174 ( 0.318 7.995 -3.205) 8.619 2.343 ( -0.205 4.984 3.816) 6.280 2.389 ( -3.984 6.444 3.583) 8.380 2.510 ( 5.520 2.360 -0.113) 6.005 2.621 ( -4.071 2.450 -1.119) 4.882 2.779 ( 4.568 2.576 -5.703) 7.748 2.834 ( 0.777 0.174 -5.757) 5.812 3.035 ( 5.881 7.067 0.943) 9.242 3.076 ( -1.765 3.112 -0.711) 3.648 3.132 ( 3.076 7.465 3.152) 8.667 3.250 ( -0.772 6.305 1.705) 6.577 3.265 ( -5.464 9.173 1.845) 10.836 3.333 ( -8.927 -2.391 -1.801) 9.416 3.540 ( 0.654 -2.615 7.691) 8.150 3.579 ( -3.462 -2.319 5.791) 7.135 3.859 ( 2.837 -3.318 -1.435) 4.596 3.913 ( -2.275 -5.016 1.340) 5.669 4.124 ( 8.448 -1.637 -5.929) 10.450 4.212 ( 2.509 -5.521 -5.121) 7.937 4.343 ( -1.185 6.837 1.424) 7.083 4.370 ( -1.312 8.503 1.991) 8.831 4.480 ( -0.768 8.650 -1.561) 8.823 4.519 ( -4.857 10.583 -1.432) 11.732 4.693 ( -0.560 5.051 5.258) 7.313 4.700 ( -1.277 8.475 4.970) 9.907 4.935 ( 3.185 0.878 -5.490) 6.407 4.984 ( -1.256 3.540 -5.907) 7.000 5.194 ( 1.964 8.063 3.626) 9.056 5.217 ( -0.406 11.606 2.230) 11.825 5.321 ( 2.537 5.264 -1.184) 5.962 5.360 ( -0.864 7.152 -2.619) 7.666 5.616 ( 2.584 8.304 0.448) 8.708 5.619 ( 2.810 9.526 -1.849) 10.102 5.796 ( -0.455 5.312 2.224) 5.777 5.817 ( -1.656 4.518 0.473) 4.835 6.050 ( 1.015 18.578 -0.272) 18.607 6.068 ( -0.088 18.952 -1.089) 18.984 6.169 ( -0.650 15.208 1.267) 15.275 6.181 ( -1.324 14.826 0.696) 14.901 7.550 ( 6.604 3.639 2.831) 8.054 7.628 ( 0.503 0.024 1.843) 1.911 7.827 ( 6.272 5.458 -0.924) 8.365 7.933 ( 0.679 9.436 1.951) 9.660 7.998 ( 1.747 2.954 -1.953) 3.948 8.059 ( 3.588 0.084 -1.873) 4.048 8.116 ( -2.130 0.692 0.693) 2.345 8.168 ( -7.034 0.832 -0.852) 7.134 8.974 ( 1.323 1.454 2.786) 3.410 8.990 ( -0.158 -1.690 1.004) 1.972 9.092 ( 4.023 -3.779 0.014) 5.519 9.162 ( -1.854 0.115 -3.239) 3.733 9.226 ( 0.205 -6.397 -1.448) 6.562 9.304 ( -4.615 -8.008 -1.303) 9.334 9.654 ( 4.597 5.478 0.447) 7.165 9.738 ( -0.685 -2.853 -4.949) 5.754 9.894 ( 0.070 0.379 5.332) 5.346 9.922 ( -2.375 -1.884 4.146) 5.136 10.190 ( -2.054 4.408 -4.429) 6.578 10.291 ( -8.305 5.773 -9.305) 13.743 10.765 ( 0.694 11.294 7.039) 13.326 10.779 ( -0.306 10.483 6.304) 12.236 11.186 ( 1.862 -5.345 -1.811) 5.943 11.226 ( -2.036 -5.055 -3.286) 6.363 11.468 ( 8.223 -17.838 2.312) 19.778 11.537 ( 6.068 -15.255 1.163) 16.458 11.610 ( -4.583 -18.924 2.697) 19.657 11.760 ( -11.309 -14.599 -2.465) 18.631 12.199 ( 5.648 2.328 4.105) 7.360 12.296 ( -2.520 4.168 1.773) 5.183 12.361 ( 6.479 1.645 2.797) 7.247 12.512 ( -7.255 0.818 -1.118) 7.386 12.585 ( 7.858 -3.132 -1.232) 8.549 12.723 ( -3.771 -2.218 -4.898) 6.568 12.927 ( 2.236 -3.747 1.147) 4.512 13.089 ( -10.368 -1.852 -4.655) 11.515 15.645 ( 3.121 -5.432 -3.942) 7.402 15.702 ( -2.293 -5.630 -6.002) 8.543 15.875 ( 0.854 -9.869 0.800) 9.938 15.897 ( -1.338 -11.786 0.020) 11.862 16.013 ( 5.329 -0.795 5.560) 7.742 16.107 ( -3.537 0.697 3.708) 5.172 16.344 ( 4.166 -4.723 0.651) 6.332 16.413 ( -2.632 -3.587 -0.924) 4.544 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.000 3.598 -0.837) 3.694 2.287 ( 0.000 5.960 -2.566) 6.489 2.424 ( 0.000 1.745 2.210) 2.816 2.533 ( 0.000 0.541 -3.619) 3.659 2.618 ( 0.000 4.335 -0.002) 4.335 2.634 ( 0.000 0.589 -4.143) 4.184 2.765 ( 0.000 3.172 0.698) 3.248 2.851 ( 0.000 1.436 -2.130) 2.569 3.057 ( 0.000 3.651 10.445) 11.064 3.173 ( 0.000 4.570 -0.020) 4.570 3.275 ( 0.000 3.950 -0.099) 3.952 3.343 ( 0.000 8.402 2.968) 8.911 3.363 ( 0.000 -4.541 5.436) 7.083 3.542 ( 0.000 -2.804 -3.310) 4.338 3.612 ( 0.000 -4.271 -4.693) 6.345 3.628 ( 0.000 1.706 -4.752) 5.049 3.747 ( 0.000 -2.098 0.026) 2.098 3.764 ( 0.000 -7.185 -0.895) 7.241 3.830 ( 0.000 -4.621 2.858) 5.434 3.855 ( 0.000 -4.686 2.815) 5.466 4.530 ( 0.000 4.825 -2.434) 5.404 4.564 ( 0.000 0.485 -1.128) 1.228 4.693 ( 0.000 6.956 -0.685) 6.989 4.703 ( 0.000 -4.684 -0.550) 4.717 4.728 ( 0.000 4.064 -1.786) 4.440 4.762 ( 0.000 -1.898 -5.514) 5.831 4.922 ( 0.000 6.400 7.232) 9.658 5.038 ( 0.000 -0.415 5.224) 5.241 5.124 ( 0.000 1.631 0.176) 1.640 5.200 ( 0.000 -2.268 -0.401) 2.303 5.567 ( 0.000 12.094 -0.547) 12.106 5.657 ( 0.000 12.445 -3.762) 13.002 5.756 ( 0.000 6.671 0.009) 6.671 5.760 ( 0.000 1.833 -2.493) 3.095 5.857 ( 0.000 5.209 2.878) 5.951 5.866 ( 0.000 4.923 3.894) 6.277 6.337 ( 0.000 10.378 -0.647) 10.398 6.342 ( 0.000 10.603 -0.461) 10.613 6.453 ( 0.000 9.063 -0.854) 9.103 6.467 ( 0.000 8.940 -1.250) 9.027 7.520 ( 0.000 7.773 1.897) 8.001 7.623 ( 0.000 7.123 -2.245) 7.468 7.730 ( 0.000 0.686 3.236) 3.308 7.874 ( 0.000 -3.483 -1.513) 3.797 7.974 ( 0.000 7.842 1.192) 7.932 8.115 ( 0.000 0.861 -2.968) 3.090 8.177 ( 0.000 3.629 1.018) 3.769 8.276 ( 0.000 -1.970 -2.657) 3.308 8.820 ( 0.000 -5.350 0.777) 5.406 8.920 ( 0.000 -1.217 2.223) 2.535 8.982 ( 0.000 -10.628 -3.855) 11.305 9.012 ( 0.000 -8.123 -2.163) 8.406 9.285 ( 0.000 13.326 10.184) 16.772 9.602 ( 0.000 8.270 3.101) 8.832 9.680 ( 0.000 14.393 -6.918) 15.969 9.774 ( 0.000 2.282 -2.743) 3.568 9.967 ( 0.000 -0.981 6.256) 6.332 10.030 ( 0.000 -6.607 6.117) 9.004 10.316 ( 0.000 -9.847 -6.396) 11.742 10.521 ( 0.000 -8.951 -14.948) 17.423 10.629 ( 0.000 0.295 2.631) 2.648 10.772 ( 0.000 -2.147 -1.804) 2.804 11.020 ( 0.000 5.992 11.432) 12.907 11.161 ( 0.000 -5.110 -0.853) 5.181 11.175 ( 0.000 -5.232 0.625) 5.269 11.397 ( 0.000 -2.737 1.125) 2.959 11.408 ( 0.000 -14.913 9.530) 17.698 11.707 ( 0.000 -15.545 -3.056) 15.843 12.128 ( 0.000 5.960 1.693) 6.196 12.185 ( 0.000 3.633 -1.388) 3.889 12.253 ( 0.000 -1.862 0.547) 1.941 12.419 ( 0.000 -6.821 -5.694) 8.886 12.536 ( 0.000 3.901 1.654) 4.237 12.654 ( 0.000 -1.152 -2.740) 2.972 13.253 ( 0.000 2.559 1.326) 2.882 13.331 ( 0.000 -1.026 -1.730) 2.011 15.495 ( 0.000 -1.575 -2.559) 3.005 15.619 ( 0.000 -7.342 -5.202) 8.998 15.772 ( 0.000 -0.911 4.511) 4.602 15.773 ( 0.000 -4.313 -2.558) 5.015 15.845 ( 0.000 -3.007 -0.821) 3.117 15.940 ( 0.000 -3.930 -0.581) 3.973 16.310 ( 0.000 3.214 5.796) 6.628 16.426 ( 0.000 -1.870 0.228) 1.884 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 1.046 3.737 -0.449) 3.906 2.317 ( 2.355 6.609 -2.537) 7.460 2.392 ( -2.202 0.524 1.693) 2.827 2.537 ( -0.348 0.674 -3.885) 3.959 2.575 ( -3.416 4.844 1.373) 6.084 2.664 ( 2.624 1.391 -3.104) 4.296 2.771 ( 0.144 0.326 -0.550) 0.655 2.811 ( -3.184 -0.014 -2.848) 4.272 3.071 ( 1.667 4.693 8.241) 9.629 3.168 ( -0.833 3.939 0.764) 4.098 3.265 ( -0.922 3.364 1.663) 3.864 3.337 ( -2.400 -4.725 3.804) 6.523 3.391 ( 3.140 8.955 1.424) 9.596 3.464 ( -1.605 -2.144 1.589) 3.114 3.580 ( -2.962 7.588 -0.904) 8.196 3.679 ( -2.481 1.785 -0.746) 3.146 3.722 ( -1.264 -6.837 -2.796) 7.494 3.802 ( 9.029 -7.612 -6.453) 13.458 3.830 ( -0.999 -6.135 3.849) 7.311 3.962 ( 6.908 -6.529 -0.459) 9.516 4.506 ( -3.018 3.555 -1.711) 4.967 4.529 ( -1.524 3.909 -1.155) 4.352 4.628 ( -2.854 1.004 -2.897) 4.189 4.728 ( -2.044 0.750 -1.871) 2.871 4.769 ( 1.963 3.275 -2.963) 4.833 4.797 ( 5.098 -0.470 -0.158) 5.122 4.918 ( -0.394 7.153 5.908) 9.285 5.031 ( -1.941 0.613 3.057) 3.672 5.156 ( 4.000 0.095 1.755) 4.369 5.201 ( 1.211 -2.680 0.434) 2.973 5.497 ( -4.844 8.447 -0.266) 9.741 5.602 ( -6.145 4.359 -2.415) 7.911 5.762 ( 4.265 9.395 0.619) 10.336 5.841 ( 1.659 10.464 0.050) 10.595 5.873 ( 2.785 2.517 0.910) 3.862 5.896 ( 2.146 5.552 1.340) 6.101 6.342 ( 0.825 11.000 -0.179) 11.032 6.360 ( 1.419 10.491 -0.908) 10.625 6.448 ( -0.586 9.263 -0.640) 9.303 6.460 ( -0.718 9.173 -1.106) 9.268 7.564 ( 3.525 6.740 1.574) 7.767 7.637 ( 1.125 5.215 -1.199) 5.468 7.743 ( 2.222 -1.461 3.047) 4.044 7.899 ( 0.500 -6.665 -3.043) 7.344 8.031 ( 6.439 10.051 1.969) 12.098 8.148 ( 2.097 5.112 -1.878) 5.836 8.188 ( 2.004 5.205 0.639) 5.614 8.282 ( 0.363 0.734 -2.704) 2.825 8.854 ( 3.015 -6.972 0.987) 7.659 8.933 ( 1.687 -0.964 2.174) 2.915 8.985 ( 0.155 -7.465 -2.223) 7.790 9.058 ( 3.785 -11.732 -2.257) 12.532 9.201 ( -6.534 10.951 8.003) 15.055 9.444 ( -10.522 7.929 -1.414) 13.251 9.687 ( -6.482 -6.740 0.666) 9.375 9.805 ( -0.375 10.263 -2.465) 10.562 9.893 ( -3.374 -4.521 3.965) 6.895 9.985 ( 1.383 7.296 1.211) 7.524 10.331 ( 0.075 -2.312 -4.651) 5.195 10.533 ( -1.921 1.215 -14.873) 15.046 10.701 ( 7.656 -8.151 3.592) 11.746 10.833 ( 5.783 -6.559 -1.935) 8.956 11.012 ( -0.913 4.035 10.409) 11.201 11.120 ( -2.669 -2.045 0.780) 3.452 11.207 ( 1.271 -7.134 0.176) 7.249 11.283 ( -7.814 -6.601 2.986) 10.656 11.373 ( -3.101 -11.248 7.270) 13.747 11.628 ( -7.649 -15.908 -2.072) 17.773 12.170 ( 4.099 5.182 2.458) 7.050 12.258 ( 6.933 3.684 0.046) 7.851 12.356 ( 7.663 -1.056 -1.174) 7.824 12.459 ( 1.540 -0.117 -4.072) 4.355 12.541 ( 3.115 -1.732 -0.644) 3.622 12.624 ( -2.680 -1.474 -1.962) 3.634 13.118 ( -11.761 3.123 2.357) 12.395 13.248 ( -8.351 -2.344 -2.815) 9.119 15.511 ( 1.572 -2.124 -2.742) 3.808 15.609 ( -0.269 -5.923 -4.999) 7.755 15.738 ( -2.707 -5.680 -0.416) 6.306 15.755 ( -2.821 -5.346 -0.869) 6.106 15.902 ( 7.102 2.530 3.538) 8.328 16.041 ( 7.335 -3.467 -1.843) 8.320 16.295 ( -1.539 2.614 5.813) 6.557 16.409 ( -1.814 -2.124 0.280) 2.807 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 1.597 4.979 -1.472) 5.432 2.325 ( -1.161 6.630 -2.182) 7.076 2.403 ( 2.718 0.881 2.291) 3.662 2.472 ( -4.362 1.404 2.691) 5.315 2.571 ( 2.925 3.623 -1.954) 5.050 2.663 ( -4.665 2.036 -0.312) 5.099 2.762 ( 1.726 -3.983 -6.206) 7.574 2.792 ( -0.407 -3.643 -5.234) 6.390 3.113 ( 1.987 3.352 6.469) 7.552 3.149 ( -1.026 4.169 4.694) 6.361 3.244 ( -0.116 2.095 3.253) 3.871 3.279 ( -2.763 -2.479 3.338) 4.992 3.439 ( 3.150 8.515 -0.881) 9.121 3.506 ( 3.863 3.728 3.123) 6.211 3.532 ( -4.248 12.824 -3.206) 13.884 3.579 ( -3.886 3.019 3.227) 5.885 3.745 ( 2.177 -6.544 -0.239) 6.901 3.793 ( -2.271 -6.188 2.457) 7.035 3.983 ( 7.350 -9.953 -7.331) 14.381 4.052 ( 1.003 -9.812 -4.930) 11.027 4.460 ( -0.664 5.175 -0.908) 5.296 4.486 ( -2.630 4.504 0.473) 5.237 4.605 ( 1.092 1.532 -5.261) 5.587 4.663 ( -3.954 1.365 -4.790) 6.359 4.816 ( 2.633 5.686 2.502) 6.747 4.866 ( -1.094 5.537 1.836) 5.935 4.911 ( 2.741 0.330 3.732) 4.642 4.981 ( -2.994 -0.885 1.638) 3.526 5.239 ( 4.541 1.578 0.868) 4.885 5.279 ( 3.618 -0.321 -1.046) 3.780 5.407 ( -2.510 2.736 2.288) 4.361 5.474 ( -6.325 0.232 0.317) 6.337 5.834 ( 2.416 10.237 1.160) 10.582 5.856 ( 0.013 9.893 1.658) 10.031 5.919 ( 1.602 5.879 -0.882) 6.157 5.931 ( 0.694 5.372 -1.194) 5.546 6.370 ( 1.780 11.532 -0.262) 11.671 6.388 ( 0.832 11.166 -1.231) 11.264 6.429 ( -0.845 9.357 -0.070) 9.396 6.440 ( -1.202 9.317 -0.702) 9.421 7.625 ( 2.240 3.673 1.537) 4.568 7.649 ( -0.181 2.479 1.580) 2.945 7.819 ( 4.252 -4.749 -0.893) 6.437 7.882 ( -1.989 -7.628 -2.419) 8.246 8.181 ( 6.478 11.225 0.931) 12.994 8.193 ( 2.889 9.231 0.867) 9.711 8.233 ( 0.936 8.721 0.103) 8.772 8.274 ( -1.711 7.652 -1.383) 7.962 8.920 ( 3.432 -5.771 0.736) 6.754 8.970 ( 0.234 -3.700 3.523) 5.115 9.018 ( 3.285 -7.133 -2.189) 8.152 9.080 ( -2.021 -7.201 0.915) 7.535 9.120 ( 0.264 2.205 3.068) 3.787 9.232 ( -9.563 4.505 0.140) 10.572 9.569 ( -2.083 -12.349 -0.272) 12.527 9.639 ( -8.098 -9.114 0.508) 12.202 9.981 ( 5.085 11.966 -1.998) 13.155 10.029 ( 0.882 11.271 -3.004) 11.698 10.333 ( 2.021 6.898 -3.457) 7.976 10.437 ( -6.789 6.492 -9.248) 13.182 10.864 ( 7.433 -9.214 2.074) 12.018 10.959 ( 5.141 -1.995 2.024) 5.875 10.974 ( -3.071 -7.678 2.620) 8.674 11.050 ( -4.311 1.690 3.651) 5.896 11.178 ( 1.029 -10.405 3.139) 10.917 11.238 ( -1.860 -14.604 0.045) 14.722 11.330 ( 1.405 -6.734 4.450) 8.193 11.449 ( -8.957 -13.283 0.575) 16.031 12.279 ( 6.360 4.478 2.774) 8.258 12.395 ( -0.314 3.656 -0.359) 3.687 12.405 ( 1.910 1.741 0.850) 2.720 12.501 ( -0.407 -0.674 -2.566) 2.684 12.581 ( 6.039 1.418 1.157) 6.311 12.708 ( 6.607 -0.797 -5.406) 8.574 12.871 ( -8.133 -0.475 2.737) 8.594 13.025 ( -12.834 -4.282 -3.813) 14.057 15.556 ( 2.839 -2.518 -3.124) 4.915 15.605 ( -1.098 -3.355 -4.632) 5.824 15.686 ( -1.296 -7.456 -0.755) 7.606 15.702 ( -2.159 -6.828 -1.155) 7.254 16.061 ( 7.609 3.933 3.950) 9.432 16.154 ( 0.837 2.574 0.343) 2.729 16.270 ( 1.371 -2.474 3.649) 4.617 16.349 ( -4.138 -3.111 0.414) 5.194 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 0.000 -1.837 -1.244) 2.218 2.322 ( 0.000 1.837 -1.244) 2.218 2.492 ( 0.000 -4.021 -2.888) 4.951 2.492 ( 0.000 4.021 -2.888) 4.951 2.650 ( 0.000 -0.414 0.762) 0.867 2.650 ( 0.000 0.414 0.762) 0.868 2.830 ( 0.000 -2.505 -1.409) 2.874 2.830 ( 0.000 2.505 -1.409) 2.874 3.147 ( 0.000 -4.096 7.359) 8.422 3.147 ( 0.000 4.096 7.359) 8.422 3.331 ( 0.000 -1.655 2.228) 2.775 3.331 ( 0.000 1.655 2.228) 2.775 3.499 ( 0.000 -6.298 -3.177) 7.054 3.499 ( 0.000 6.298 -3.177) 7.054 3.585 ( 0.000 -6.569 -2.724) 7.111 3.585 ( 0.000 6.569 -2.724) 7.111 3.700 ( 0.000 -2.098 -1.197) 2.416 3.700 ( 0.000 2.098 -1.197) 2.416 3.789 ( 0.000 -1.012 1.627) 1.916 3.789 ( 0.000 1.012 1.627) 1.916 4.590 ( 0.000 -1.241 -0.932) 1.552 4.590 ( 0.000 1.241 -0.932) 1.552 4.668 ( 0.000 -4.050 -3.810) 5.560 4.668 ( 0.000 4.050 -3.810) 5.561 4.774 ( 0.000 -0.311 -0.979) 1.027 4.774 ( 0.000 0.311 -0.979) 1.027 5.014 ( 0.000 -2.540 6.293) 6.787 5.014 ( 0.000 2.540 6.293) 6.787 5.162 ( 0.000 -1.750 -0.236) 1.766 5.162 ( 0.000 1.750 -0.236) 1.766 5.711 ( 0.000 -3.915 -0.502) 3.947 5.711 ( 0.000 3.916 -0.502) 3.948 5.802 ( 0.000 -1.514 -0.951) 1.788 5.802 ( 0.000 1.514 -0.951) 1.788 5.939 ( 0.000 -0.209 1.853) 1.865 5.939 ( 0.000 0.210 1.853) 1.865 6.449 ( 0.000 -0.197 -0.040) 0.201 6.449 ( 0.000 0.197 -0.040) 0.201 6.555 ( 0.000 -0.494 -1.982) 2.042 6.555 ( 0.000 0.494 -1.982) 2.042 7.649 ( 0.000 -4.319 2.295) 4.891 7.649 ( 0.000 4.319 2.295) 4.891 7.786 ( 0.000 -4.851 -2.698) 5.551 7.786 ( 0.000 4.851 -2.698) 5.551 8.094 ( 0.000 -3.391 0.248) 3.400 8.094 ( 0.000 3.391 0.248) 3.400 8.247 ( 0.000 -2.058 -1.674) 2.653 8.247 ( 0.000 2.058 -1.674) 2.653 8.795 ( 0.000 -4.491 -1.135) 4.632 8.795 ( 0.000 4.491 -1.135) 4.632 8.926 ( 0.000 -1.947 0.804) 2.107 8.926 ( 0.000 1.947 0.804) 2.107 9.574 ( 0.000 -13.921 9.660) 16.944 9.574 ( 0.000 13.921 9.660) 16.944 9.800 ( 0.000 -10.401 3.296) 10.911 9.800 ( 0.000 10.401 3.296) 10.911 10.048 ( 0.000 -16.024 -7.665) 17.763 10.048 ( 0.000 16.024 -7.665) 17.763 10.194 ( 0.000 -15.990 -3.746) 16.423 10.194 ( 0.000 15.990 -3.746) 16.423 10.721 ( 0.000 -3.931 -3.311) 5.140 10.721 ( 0.000 3.931 -3.311) 5.140 11.104 ( 0.000 -0.778 0.211) 0.806 11.104 ( 0.000 0.779 0.211) 0.807 11.160 ( 0.000 -6.899 9.646) 11.859 11.160 ( 0.000 6.899 9.646) 11.859 11.469 ( 0.000 -7.264 -1.090) 7.346 11.469 ( 0.000 7.264 -1.090) 7.346 12.227 ( 0.000 -0.317 -0.374) 0.490 12.227 ( 0.000 0.317 -0.374) 0.490 12.267 ( 0.000 -6.462 -1.540) 6.643 12.267 ( 0.000 6.462 -1.540) 6.643 12.617 ( 0.000 -2.894 -0.756) 2.991 12.617 ( 0.000 2.894 -0.756) 2.991 13.298 ( 0.000 -1.941 -0.045) 1.941 13.298 ( 0.000 1.941 -0.045) 1.942 15.508 ( 0.000 -3.099 -3.435) 4.626 15.508 ( 0.000 3.099 -3.435) 4.626 15.737 ( 0.000 -0.609 -2.800) 2.865 15.737 ( 0.000 0.609 -2.800) 2.865 15.869 ( 0.000 -3.078 2.701) 4.095 15.869 ( 0.000 3.078 2.701) 4.095 16.376 ( 0.000 -2.984 2.571) 3.939 16.376 ( 0.000 2.984 2.571) 3.939 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 1.314 -2.469 0.142) 2.801 2.334 ( 1.314 2.469 0.142) 2.801 2.480 ( -0.950 -5.339 -2.993) 6.193 2.480 ( -0.950 5.339 -2.993) 6.193 2.655 ( -0.063 -2.546 -1.722) 3.075 2.655 ( -0.063 2.546 -1.722) 3.075 2.787 ( -3.465 -1.364 -0.268) 3.734 2.787 ( -3.465 1.364 -0.268) 3.734 3.167 ( 1.507 -4.038 7.533) 8.679 3.167 ( 1.507 4.038 7.533) 8.679 3.284 ( -3.204 -2.982 2.367) 4.976 3.284 ( -3.204 2.982 2.367) 4.976 3.508 ( 1.196 -2.444 -0.862) 2.854 3.508 ( 1.196 2.444 -0.862) 2.855 3.645 ( 4.573 -4.606 -4.703) 8.015 3.645 ( 4.573 4.606 -4.703) 8.015 3.701 ( -0.065 -4.069 0.726) 4.133 3.701 ( -0.065 4.069 0.726) 4.134 3.810 ( 1.652 -7.180 -1.015) 7.437 3.810 ( 1.652 7.180 -1.015) 7.437 4.572 ( -1.355 -2.921 -2.585) 4.129 4.572 ( -1.355 2.921 -2.585) 4.129 4.641 ( -2.131 -5.551 -2.913) 6.621 4.641 ( -2.131 5.551 -2.913) 6.621 4.817 ( 3.379 -0.337 0.286) 3.408 4.817 ( 3.379 0.338 0.286) 3.408 5.022 ( -0.664 -2.556 5.089) 5.733 5.022 ( -0.664 2.556 5.089) 5.733 5.167 ( 2.238 -0.998 0.813) 2.582 5.167 ( 2.238 0.998 0.813) 2.582 5.595 ( -7.637 -2.695 -0.821) 8.140 5.595 ( -7.637 2.695 -0.821) 8.140 5.893 ( 4.925 -2.245 -0.290) 5.420 5.893 ( 4.925 2.245 -0.290) 5.420 5.957 ( 1.420 -0.937 1.298) 2.140 5.957 ( 1.420 0.937 1.298) 2.140 6.463 ( 1.326 -0.530 -0.185) 1.440 6.463 ( 1.326 0.530 -0.185) 1.440 6.551 ( -0.469 -0.443 -1.741) 1.857 6.551 ( -0.469 0.443 -1.741) 1.857 7.673 ( 1.960 -3.692 1.393) 4.406 7.673 ( 1.960 3.692 1.393) 4.406 7.764 ( -1.535 -5.859 -1.044) 6.146 7.764 ( -1.535 5.859 -1.044) 6.146 8.178 ( 7.304 -3.302 -1.007) 8.079 8.178 ( 7.304 3.302 -1.007) 8.079 8.283 ( 3.415 -2.622 -0.805) 4.380 8.283 ( 3.415 2.622 -0.805) 4.380 8.816 ( 1.848 -4.926 -1.378) 5.439 8.816 ( 1.848 4.926 -1.378) 5.439 8.934 ( 0.813 -1.982 1.831) 2.818 8.934 ( 0.813 1.982 1.831) 2.818 9.456 ( -9.339 -12.937 6.878) 17.375 9.456 ( -9.339 12.937 6.878) 17.375 9.650 ( -12.127 -11.361 1.914) 16.727 9.650 ( -12.127 11.361 1.914) 16.727 10.146 ( 7.466 -12.288 -7.143) 16.055 10.146 ( 7.466 12.288 -7.143) 16.055 10.265 ( 4.775 -15.175 -3.600) 16.311 10.265 ( 4.775 15.175 -3.600) 16.311 10.736 ( 1.713 -3.645 -1.647) 4.351 10.736 ( 1.713 3.645 -1.647) 4.351 11.070 ( -3.908 -3.449 2.586) 5.819 11.070 ( -3.908 3.449 2.586) 5.819 11.156 ( 0.137 -4.714 6.675) 8.173 11.156 ( 0.137 4.714 6.675) 8.173 11.379 ( -7.183 -7.877 0.292) 10.664 11.379 ( -7.183 7.877 0.292) 10.664 12.268 ( 3.625 -3.506 0.454) 5.064 12.268 ( 3.625 3.506 0.454) 5.064 12.378 ( 9.824 -4.000 -2.821) 10.976 12.378 ( 9.824 4.000 -2.821) 10.976 12.586 ( -2.812 -2.629 -0.142) 3.852 12.586 ( -2.812 2.630 -0.142) 3.852 13.186 ( -10.410 -3.430 -0.290) 10.964 13.186 ( -10.410 3.430 -0.290) 10.964 15.516 ( 0.972 -2.636 -3.494) 4.484 15.516 ( 0.972 2.636 -3.494) 4.484 15.691 ( -3.427 -0.724 -1.596) 3.849 15.691 ( -3.427 0.724 -1.596) 3.849 15.970 ( 8.133 -3.606 1.573) 9.034 15.970 ( 8.133 3.606 1.573) 9.034 16.356 ( -2.164 -2.995 2.555) 4.493 16.356 ( -2.164 2.995 2.555) 4.493 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 3.034 -2.437 1.173) 4.065 2.377 ( 3.034 2.437 1.173) 4.065 2.444 ( -3.004 -3.818 -0.877) 4.937 2.444 ( -3.004 3.818 -0.877) 4.937 2.659 ( 1.465 -5.038 -4.097) 6.657 2.659 ( 1.465 5.038 -4.097) 6.657 2.716 ( -3.578 -3.231 -2.045) 5.237 2.716 ( -3.578 3.231 -2.045) 5.237 3.194 ( 1.464 -3.815 6.699) 7.847 3.194 ( 1.464 3.815 6.699) 7.847 3.232 ( -2.167 -3.040 5.113) 6.331 3.232 ( -2.167 3.040 5.113) 6.331 3.562 ( 4.192 -6.029 0.498) 7.360 3.562 ( 4.192 6.029 0.498) 7.360 3.647 ( -3.391 -5.353 0.347) 6.346 3.647 ( -3.391 5.353 0.347) 6.346 3.765 ( 4.591 -10.049 -4.040) 11.764 3.765 ( 4.591 10.049 -4.040) 11.764 3.823 ( -0.934 -11.894 -3.602) 12.462 3.823 ( -0.934 11.894 -3.602) 12.462 4.558 ( 0.502 -4.373 -3.869) 5.860 4.558 ( 0.502 4.373 -3.869) 5.860 4.594 ( -2.549 -5.747 -3.711) 7.300 4.594 ( -2.549 5.747 -3.711) 7.301 4.889 ( 3.820 -1.208 2.895) 4.943 4.889 ( 3.820 1.208 2.895) 4.943 4.968 ( -3.844 -1.574 4.345) 6.011 4.968 ( -3.844 1.574 4.345) 6.011 5.276 ( 7.576 -1.263 0.823) 7.724 5.276 ( 7.576 1.263 0.823) 7.724 5.437 ( -8.145 -2.020 -0.213) 8.394 5.437 ( -8.145 2.020 -0.213) 8.394 5.964 ( 2.131 -1.600 0.135) 2.668 5.964 ( 2.131 1.600 0.135) 2.668 5.979 ( 0.455 -1.149 0.512) 1.338 5.979 ( 0.455 1.149 0.512) 1.338 6.497 ( 1.934 -0.638 -0.595) 2.122 6.497 ( 1.934 0.638 -0.595) 2.122 6.532 ( -1.432 -0.448 -1.176) 1.906 6.532 ( -1.432 0.448 -1.176) 1.906 7.710 ( 1.588 -4.192 0.180) 4.486 7.710 ( 1.588 4.192 0.180) 4.486 7.738 ( -1.232 -5.327 0.141) 5.470 7.738 ( -1.232 5.327 0.141) 5.470 8.327 ( 5.717 -0.780 -0.931) 5.844 8.327 ( 5.717 0.780 -0.931) 5.844 8.355 ( 2.505 -2.240 -0.365) 3.380 8.355 ( 2.505 2.240 -0.365) 3.380 8.866 ( 3.575 -3.619 0.664) 5.130 8.866 ( 3.575 3.619 0.664) 5.130 8.939 ( -1.753 -2.073 3.466) 4.403 8.939 ( -1.753 2.073 3.466) 4.403 9.308 ( -2.421 -11.871 2.035) 12.285 9.308 ( -2.421 11.871 2.035) 12.285 9.406 ( -10.521 -11.413 -0.058) 15.523 9.406 ( -10.521 11.413 -0.058) 15.523 10.279 ( 4.947 -9.274 -6.774) 12.505 10.279 ( 4.947 9.274 -6.774) 12.505 10.325 ( 0.549 -11.726 -5.607) 13.010 10.325 ( 0.549 11.726 -5.607) 13.010 10.805 ( 5.567 -3.543 2.104) 6.927 10.805 ( 5.567 3.543 2.104) 6.927 10.947 ( -7.713 -4.177 3.970) 9.628 10.947 ( -7.713 4.177 3.970) 9.628 11.178 ( 2.179 -4.022 3.662) 5.859 11.178 ( 2.179 4.022 3.662) 5.859 11.248 ( -5.105 -5.544 2.086) 7.820 11.248 ( -5.105 5.544 2.086) 7.820 12.364 ( 5.658 -3.537 0.703) 6.710 12.364 ( 5.658 3.538 0.703) 6.710 12.474 ( -4.467 -2.564 -0.732) 5.202 12.474 ( -4.467 2.564 -0.732) 5.202 12.646 ( 12.768 -4.354 -1.312) 13.553 12.646 ( 12.768 4.354 -1.312) 13.553 12.927 ( -14.385 -4.794 -1.042) 15.199 12.927 ( -14.385 4.794 -1.042) 15.199 15.553 ( 2.691 -1.931 -3.033) 4.491 15.553 ( 2.691 1.931 -3.033) 4.491 15.618 ( -3.676 -1.114 -2.063) 4.360 15.618 ( -3.676 1.114 -2.063) 4.360 16.143 ( 8.366 -3.447 1.810) 9.227 16.143 ( 8.366 3.447 1.810) 9.227 16.282 ( -5.359 -3.118 2.327) 6.622 16.282 ( -5.359 3.118 2.327) 6.622 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 0.000 0.000 -22.046) 22.046 1.062 ( 0.000 0.000 22.046) 22.046 1.182 ( 0.000 0.000 -24.614) 24.614 1.182 ( 0.000 0.000 24.614) 24.614 2.006 ( 0.000 0.000 -15.481) 15.481 2.006 ( 0.000 0.000 15.481) 15.481 2.161 ( 0.000 0.000 -4.902) 4.902 2.161 ( 0.000 0.000 4.902) 4.902 2.300 ( 0.000 0.000 -1.657) 1.657 2.300 ( 0.000 0.000 1.657) 1.657 2.392 ( 0.000 0.000 -4.102) 4.102 2.392 ( 0.000 0.000 4.102) 4.102 2.471 ( 0.000 0.000 -3.793) 3.793 2.471 ( 0.000 0.000 3.793) 3.793 2.488 ( 0.000 0.000 -0.295) 0.295 2.488 ( 0.000 0.000 0.295) 0.295 2.654 ( 0.000 0.000 -6.967) 6.967 2.654 ( 0.000 0.000 6.967) 6.967 2.725 ( 0.000 0.000 -6.487) 6.487 2.725 ( 0.000 0.000 6.487) 6.487 3.208 ( 0.000 0.000 -4.758) 4.758 3.208 ( 0.000 0.000 4.758) 4.758 3.616 ( 0.000 0.000 -7.489) 7.489 3.616 ( 0.000 0.000 7.489) 7.489 3.977 ( 0.000 0.000 -18.727) 18.727 3.977 ( 0.000 0.000 18.727) 18.727 4.386 ( 0.000 0.000 -13.186) 13.186 4.386 ( 0.000 0.000 13.186) 13.186 4.640 ( 0.000 0.000 -12.377) 12.377 4.640 ( 0.000 0.000 12.377) 12.377 5.065 ( 0.000 0.000 -5.574) 5.574 5.065 ( 0.000 0.000 5.574) 5.574 5.402 ( 0.000 0.000 -3.865) 3.865 5.402 ( 0.000 0.000 3.865) 3.865 5.469 ( 0.000 0.000 -4.336) 4.336 5.469 ( 0.000 0.000 4.336) 4.336 5.772 ( 0.000 0.000 -6.937) 6.937 5.772 ( 0.000 0.000 6.937) 6.937 6.547 ( 0.000 0.000 -7.216) 7.216 6.547 ( 0.000 0.000 7.216) 7.216 7.002 ( 0.000 0.000 -3.241) 3.241 7.002 ( 0.000 0.000 3.241) 3.241 7.546 ( 0.000 0.000 -2.237) 2.237 7.546 ( 0.000 0.000 2.237) 2.237 7.553 ( 0.000 0.000 -6.131) 6.131 7.553 ( 0.000 0.000 6.131) 6.131 7.896 ( 0.000 0.000 -1.626) 1.626 7.896 ( 0.000 0.000 1.626) 1.626 7.909 ( 0.000 0.000 -4.003) 4.003 7.909 ( 0.000 0.000 4.003) 4.003 8.563 ( 0.000 0.000 -1.382) 1.382 8.563 ( 0.000 0.000 1.382) 1.382 8.957 ( 0.000 0.000 -12.919) 12.919 8.957 ( 0.000 0.000 12.919) 12.919 9.709 ( 0.000 0.000 -2.178) 2.178 9.709 ( 0.000 0.000 2.178) 2.178 9.932 ( 0.000 0.000 -13.064) 13.064 9.932 ( 0.000 0.000 13.064) 13.064 10.264 ( 0.000 0.000 -11.964) 11.964 10.264 ( 0.000 0.000 11.964) 11.964 10.434 ( 0.000 0.000 -1.076) 1.076 10.434 ( 0.000 0.000 1.076) 1.076 11.061 ( 0.000 0.000 -4.961) 4.961 11.061 ( 0.000 0.000 4.961) 4.961 12.078 ( 0.000 0.000 -7.037) 7.037 12.078 ( 0.000 0.000 7.037) 7.037 12.458 ( 0.000 0.000 -10.202) 10.202 12.458 ( 0.000 0.000 10.202) 10.202 13.038 ( 0.000 0.000 -0.375) 0.375 13.038 ( 0.000 0.000 0.375) 0.375 13.058 ( 0.000 0.000 -0.339) 0.339 13.058 ( 0.000 0.000 0.339) 0.339 13.290 ( 0.000 0.000 -7.043) 7.043 13.290 ( 0.000 0.000 7.043) 7.043 13.463 ( 0.000 0.000 -3.024) 3.024 13.463 ( 0.000 0.000 3.024) 3.024 15.007 ( 0.000 0.000 -3.659) 3.659 15.007 ( 0.000 0.000 3.659) 3.659 15.925 ( 0.000 0.000 -1.976) 1.976 15.925 ( 0.000 0.000 1.976) 1.976 17.230 ( 0.000 0.000 -7.098) 7.098 17.230 ( 0.000 0.000 7.098) 7.098 17.877 ( 0.000 0.000 -4.262) 4.262 17.877 ( 0.000 0.000 4.262) 4.262 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 12.606 0.000 -19.505) 23.224 1.187 ( 12.606 0.000 19.505) 23.224 1.284 ( 9.583 0.000 -21.713) 23.734 1.284 ( 9.583 0.000 21.713) 23.734 2.035 ( 3.304 0.000 -17.080) 17.396 2.035 ( 3.304 0.000 17.080) 17.396 2.076 ( -9.036 0.000 -5.731) 10.700 2.076 ( -9.036 0.000 5.731) 10.700 2.288 ( -6.797 0.000 -13.575) 15.182 2.288 ( -6.797 0.000 13.575) 15.182 2.335 ( -2.938 0.000 -3.353) 4.458 2.335 ( -2.938 0.000 3.353) 4.458 2.469 ( -0.704 0.000 -2.448) 2.548 2.469 ( -0.704 0.000 2.448) 2.548 2.626 ( 9.314 0.000 -5.147) 10.641 2.626 ( 9.314 0.000 5.147) 10.641 2.727 ( 10.396 0.000 -16.989) 19.917 2.727 ( 10.396 0.000 16.989) 19.917 2.758 ( 7.078 0.000 -4.936) 8.629 2.758 ( 7.078 0.000 4.936) 8.629 3.192 ( -1.549 0.000 -4.331) 4.599 3.192 ( -1.549 0.000 4.331) 4.599 3.648 ( 0.481 0.000 -11.797) 11.807 3.648 ( 0.481 0.000 11.797) 11.807 3.866 ( -10.978 0.000 -16.981) 20.221 3.866 ( -10.978 0.000 16.981) 20.221 4.199 ( -10.989 0.000 -13.018) 17.036 4.199 ( -10.989 0.000 13.018) 17.036 4.742 ( 3.777 0.000 -1.657) 4.124 4.742 ( 3.777 0.000 1.657) 4.124 4.981 ( -7.793 0.000 -6.638) 10.237 4.981 ( -7.793 0.000 6.638) 10.237 5.403 ( 1.204 0.000 -2.813) 3.060 5.403 ( 1.204 0.000 2.813) 3.060 5.543 ( 7.606 0.000 -7.946) 11.000 5.543 ( 7.606 0.000 7.946) 11.000 5.811 ( 2.555 0.000 -5.722) 6.267 5.811 ( 2.555 0.000 5.722) 6.267 6.511 ( -3.206 0.000 -8.913) 9.471 6.511 ( -3.206 0.000 8.913) 9.471 6.991 ( -1.011 0.000 -2.581) 2.772 6.991 ( -1.011 0.000 2.581) 2.772 7.546 ( -0.052 0.000 -1.770) 1.771 7.546 ( -0.052 0.000 1.770) 1.771 7.656 ( 6.815 0.000 -1.492) 6.977 7.656 ( 6.815 0.000 1.492) 6.977 7.914 ( 1.549 0.000 -1.476) 2.140 7.914 ( 1.549 0.000 1.476) 2.140 7.994 ( 7.616 0.000 -9.225) 11.963 7.994 ( 7.616 0.000 9.225) 11.963 8.564 ( 0.044 0.000 -1.165) 1.166 8.564 ( 0.044 0.000 1.165) 1.166 9.023 ( 7.688 0.000 -10.334) 12.880 9.023 ( 7.688 0.000 10.334) 12.880 9.701 ( -0.696 0.000 -1.783) 1.914 9.701 ( -0.696 0.000 1.783) 1.914 9.828 ( -7.976 0.000 -7.583) 11.006 9.828 ( -7.976 0.000 7.583) 11.006 10.252 ( -4.395 0.000 -10.925) 11.776 10.252 ( -4.395 0.000 10.925) 11.776 10.436 ( 0.204 0.000 -0.868) 0.892 10.436 ( 0.204 0.000 0.868) 0.892 11.091 ( 4.347 0.000 -4.486) 6.247 11.091 ( 4.347 0.000 4.486) 6.247 12.114 ( 1.746 0.000 -5.769) 6.027 12.114 ( 1.746 0.000 5.769) 6.027 12.254 ( -16.249 0.000 -4.343) 16.820 12.254 ( -16.249 0.000 4.343) 16.820 13.040 ( 0.171 0.000 -0.371) 0.409 13.040 ( 0.171 0.000 0.371) 0.409 13.056 ( -0.177 0.000 -0.342) 0.386 13.056 ( -0.177 0.000 0.342) 0.386 13.257 ( -2.663 0.000 -5.314) 5.944 13.257 ( -2.663 0.000 5.314) 5.944 13.431 ( -1.365 0.000 -3.516) 3.771 13.431 ( -1.365 0.000 3.516) 3.771 15.169 ( 12.270 0.000 -3.755) 12.832 15.169 ( 12.270 0.000 3.755) 12.832 15.977 ( 4.399 0.000 -3.181) 5.429 15.977 ( 4.399 0.000 3.181) 5.429 17.226 ( -0.481 0.000 -7.145) 7.162 17.226 ( -0.481 0.000 7.145) 7.162 17.742 ( -10.866 0.000 -1.722) 11.001 17.742 ( -10.866 0.000 1.722) 11.001 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 19.457 0.000 -13.897) 23.911 1.524 ( 19.457 0.000 13.897) 23.911 1.532 ( 14.429 0.000 -15.887) 21.462 1.532 ( 14.429 0.000 15.887) 21.462 1.828 ( -14.524 0.000 -10.318) 17.816 1.828 ( -14.524 0.000 10.318) 17.816 1.916 ( -17.867 0.000 -13.468) 22.374 1.916 ( -17.867 0.000 13.468) 22.374 2.226 ( 4.411 0.000 -15.840) 16.443 2.226 ( 4.411 0.000 15.840) 16.443 2.307 ( -0.401 0.000 -1.853) 1.896 2.307 ( -0.401 0.000 1.853) 1.896 2.460 ( -0.228 0.000 -1.315) 1.335 2.460 ( -0.228 0.000 1.315) 1.335 2.804 ( 6.980 0.000 -2.803) 7.522 2.804 ( 6.980 0.000 2.803) 7.522 2.873 ( 3.542 0.000 -2.249) 4.196 2.873 ( 3.542 0.000 2.249) 4.196 3.057 ( 16.769 0.000 -10.939) 20.022 3.057 ( 16.769 0.000 10.939) 20.022 3.157 ( -1.437 0.000 -2.233) 2.656 3.157 ( -1.437 0.000 2.233) 2.656 3.451 ( -16.709 0.000 -2.093) 16.840 3.451 ( -16.709 0.000 2.093) 16.840 3.750 ( -0.544 0.000 -6.929) 6.951 3.750 ( -0.544 0.000 6.929) 6.951 4.030 ( -5.583 0.000 -6.573) 8.624 4.030 ( -5.583 0.000 6.573) 8.624 4.708 ( -4.715 0.000 -0.743) 4.773 4.708 ( -4.715 0.000 0.743) 4.773 4.882 ( -0.879 0.000 -3.602) 3.708 4.882 ( -0.879 0.000 3.602) 3.708 5.440 ( 1.473 0.000 -1.617) 2.188 5.440 ( 1.473 0.000 1.617) 2.188 5.719 ( 7.345 0.000 -6.418) 9.754 5.719 ( 7.345 0.000 6.418) 9.754 5.835 ( -0.335 0.000 -4.549) 4.561 5.835 ( -0.335 0.000 4.549) 4.561 6.444 ( -2.634 0.000 -4.681) 5.371 6.444 ( -2.634 0.000 4.681) 5.371 6.972 ( -0.592 0.000 -0.963) 1.130 6.972 ( -0.592 0.000 0.963) 1.130 7.545 ( -0.035 0.000 -0.653) 0.654 7.545 ( -0.035 0.000 0.653) 0.654 7.735 ( 1.290 0.000 -1.655) 2.099 7.735 ( 1.290 0.000 1.655) 2.099 7.943 ( 0.935 0.000 -0.654) 1.141 7.943 ( 0.935 0.000 0.654) 1.141 8.137 ( 4.658 0.000 -5.244) 7.014 8.137 ( 4.658 0.000 5.244) 7.014 8.564 ( 0.026 0.000 -0.476) 0.477 8.564 ( 0.026 0.000 0.476) 0.477 9.279 ( 16.336 0.000 -3.932) 16.802 9.279 ( 16.336 0.000 3.932) 16.802 9.636 ( -12.158 0.000 -3.524) 12.658 9.636 ( -12.158 0.000 3.524) 12.658 9.688 ( -0.433 0.000 -0.694) 0.818 9.688 ( -0.433 0.000 0.694) 0.818 10.096 ( -7.219 0.000 -5.159) 8.873 10.096 ( -7.219 0.000 5.159) 8.873 10.440 ( 0.123 0.000 -0.330) 0.353 10.440 ( 0.123 0.000 0.330) 0.353 11.233 ( 7.353 0.000 -3.652) 8.210 11.233 ( 7.353 0.000 3.652) 8.210 11.883 ( -12.808 0.000 -2.876) 13.127 11.883 ( -12.808 0.000 2.876) 13.127 12.200 ( 1.964 0.000 -0.962) 2.187 12.200 ( 1.964 0.000 0.962) 2.187 13.044 ( 0.238 0.000 -0.315) 0.395 13.044 ( 0.238 0.000 0.315) 0.395 13.051 ( -0.242 0.000 -0.304) 0.388 13.051 ( -0.242 0.000 0.304) 0.388 13.215 ( -1.191 0.000 -1.674) 2.055 13.215 ( -1.191 0.000 1.674) 2.055 13.421 ( -0.032 0.000 -1.400) 1.401 13.421 ( -0.032 0.000 1.400) 1.401 15.367 ( 5.839 0.000 -2.037) 6.184 15.367 ( 5.839 0.000 2.037) 6.184 16.055 ( 2.381 0.000 -2.056) 3.146 16.055 ( 2.381 0.000 2.056) 3.146 17.209 ( -0.934 0.000 -4.023) 4.131 17.209 ( -0.934 0.000 4.023) 4.131 17.561 ( -5.252 0.000 -1.994) 5.618 17.561 ( -5.252 0.000 1.994) 5.618 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 9.400 -17.036) 19.457 1.166 ( 0.000 9.400 17.036) 19.457 1.331 ( 0.000 12.784 -20.495) 24.155 1.331 ( 0.000 12.784 20.495) 24.155 2.136 ( 0.000 4.886 -14.826) 15.611 2.136 ( 0.000 4.886 14.826) 15.611 2.279 ( 0.000 14.450 -14.689) 20.605 2.279 ( 0.000 14.450 14.689) 20.605 2.399 ( 0.000 14.118 -0.923) 14.148 2.399 ( 0.000 14.118 0.923) 14.148 2.463 ( 0.000 2.573 -4.059) 4.806 2.463 ( 0.000 2.573 4.059) 4.806 2.578 ( 0.000 12.585 -5.478) 13.726 2.578 ( 0.000 12.585 5.478) 13.726 2.708 ( 0.000 17.290 -4.169) 17.786 2.708 ( 0.000 17.290 4.169) 17.786 2.731 ( 0.000 7.419 -7.996) 10.908 2.731 ( 0.000 7.419 7.996) 10.908 2.871 ( 0.000 17.091 -5.312) 17.898 2.871 ( 0.000 17.091 5.312) 17.898 3.393 ( 0.000 16.446 -5.227) 17.256 3.393 ( 0.000 16.446 5.227) 17.256 3.623 ( 0.000 1.786 -7.768) 7.970 3.623 ( 0.000 1.786 7.768) 7.970 3.963 ( 0.000 -0.938 -17.413) 17.438 3.963 ( 0.000 -0.938 17.413) 17.438 4.345 ( 0.000 -3.265 -14.446) 14.810 4.345 ( 0.000 -3.265 14.446) 14.810 4.641 ( 0.000 0.102 -11.805) 11.806 4.641 ( 0.000 0.102 11.805) 11.806 5.010 ( 0.000 -4.567 -1.868) 4.934 5.010 ( 0.000 -4.567 1.868) 4.934 5.367 ( 0.000 -2.511 -3.878) 4.620 5.367 ( 0.000 -2.511 3.878) 4.620 5.470 ( 0.000 0.219 -3.595) 3.601 5.470 ( 0.000 0.219 3.595) 3.601 5.747 ( 0.000 -1.357 -6.852) 6.985 5.747 ( 0.000 -1.357 6.852) 6.985 6.370 ( 0.000 -12.950 -6.501) 14.490 6.370 ( 0.000 -12.950 6.501) 14.490 7.235 ( 0.000 15.868 -2.983) 16.146 7.235 ( 0.000 15.868 2.983) 16.146 7.488 ( 0.000 -3.733 -5.581) 6.714 7.488 ( 0.000 -3.733 5.581) 6.714 7.757 ( 0.000 13.029 -0.887) 13.059 7.757 ( 0.000 13.029 0.887) 13.059 7.898 ( 0.000 1.729 -2.210) 2.806 7.898 ( 0.000 1.729 2.210) 2.806 8.111 ( 0.000 19.012 -1.883) 19.105 8.111 ( 0.000 19.012 1.883) 19.105 8.706 ( 0.000 12.724 -0.518) 12.734 8.706 ( 0.000 12.724 0.518) 12.734 8.963 ( 0.000 1.186 -13.070) 13.124 8.963 ( 0.000 1.186 13.070) 13.124 9.606 ( 0.000 -7.610 -8.553) 11.449 9.606 ( 0.000 -7.610 8.553) 11.449 10.005 ( 0.000 1.812 -5.679) 5.961 10.005 ( 0.000 1.812 5.679) 5.961 10.170 ( 0.000 -2.233 -4.356) 4.895 10.170 ( 0.000 -2.233 4.356) 4.895 10.499 ( 0.000 2.498 -1.888) 3.131 10.499 ( 0.000 2.498 1.888) 3.131 11.093 ( 0.000 2.570 -6.990) 7.448 11.093 ( 0.000 2.570 6.990) 7.448 12.123 ( 0.000 3.201 -5.047) 5.977 12.123 ( 0.000 3.201 5.047) 5.977 12.314 ( 0.000 -16.029 -8.606) 18.193 12.314 ( 0.000 -16.029 8.606) 18.193 12.802 ( 0.000 -11.587 -2.008) 11.760 12.802 ( 0.000 -11.587 2.008) 11.760 12.991 ( 0.000 -3.963 -0.658) 4.018 12.991 ( 0.000 -3.963 0.658) 4.018 13.318 ( 0.000 -0.599 -6.791) 6.817 13.318 ( 0.000 -0.599 6.791) 6.817 13.392 ( 0.000 -7.819 -1.916) 8.050 13.392 ( 0.000 -7.819 1.916) 8.050 15.261 ( 0.000 17.614 -1.640) 17.691 15.261 ( 0.000 17.614 1.640) 17.691 15.960 ( 0.000 3.294 -3.758) 4.997 15.960 ( 0.000 3.294 3.758) 4.997 17.137 ( 0.000 -8.873 -6.344) 10.908 17.137 ( 0.000 -8.873 6.344) 10.908 17.692 ( 0.000 -16.470 -0.874) 16.493 17.692 ( 0.000 -16.470 0.874) 16.493 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 8.159 5.996 -18.689) 21.255 1.225 ( 8.159 5.996 18.689) 21.255 1.449 ( 10.148 11.897 -20.938) 26.133 1.449 ( 10.148 11.897 20.938) 26.133 2.096 ( -5.810 3.902 -9.659) 11.928 2.096 ( -5.810 3.902 9.659) 11.928 2.268 ( -1.348 15.507 -7.473) 17.267 2.268 ( -1.348 15.507 7.473) 17.267 2.347 ( -5.964 10.685 -12.577) 17.547 2.347 ( -5.964 10.685 12.577) 17.547 2.489 ( -1.701 11.964 -3.030) 12.458 2.489 ( -1.701 11.964 3.030) 12.458 2.610 ( 2.487 7.868 -4.191) 9.255 2.610 ( 2.487 7.868 4.191) 9.255 2.702 ( 6.353 10.230 -4.702) 12.928 2.702 ( 6.353 10.230 4.702) 12.928 2.820 ( 9.796 13.455 -14.191) 21.872 2.820 ( 9.796 13.455 14.191) 21.872 2.952 ( 6.429 16.847 -5.155) 18.754 2.952 ( 6.429 16.847 5.155) 18.754 3.373 ( -1.994 16.007 -4.761) 16.819 3.373 ( -1.994 16.007 4.761) 16.819 3.644 ( 0.036 0.377 -10.810) 10.816 3.644 ( 0.036 0.377 10.810) 10.816 3.869 ( -9.322 1.431 -14.888) 17.624 3.869 ( -9.322 1.431 14.888) 17.624 4.179 ( -10.213 -1.694 -12.723) 16.403 4.179 ( -10.213 -1.694 12.723) 16.403 4.732 ( 3.576 -0.877 -2.369) 4.379 4.732 ( 3.576 -0.877 2.369) 4.379 4.934 ( -7.026 -3.778 -5.001) 9.416 4.934 ( -7.026 -3.778 5.001) 9.416 5.361 ( 1.196 -3.700 -3.386) 5.156 5.361 ( 1.196 -3.700 3.386) 5.156 5.539 ( 6.421 0.060 -6.803) 9.355 5.539 ( 6.421 0.060 6.803) 9.355 5.772 ( 1.499 -2.674 -6.329) 7.033 5.772 ( 1.499 -2.674 6.329) 7.033 6.363 ( -0.781 -11.016 -8.528) 13.953 6.363 ( -0.781 -11.016 8.528) 13.953 7.241 ( 0.490 18.628 -2.206) 18.764 7.241 ( 0.490 18.628 2.206) 18.764 7.558 ( 3.912 -2.061 -2.556) 5.107 7.558 ( 3.912 -2.061 2.556) 5.107 7.727 ( 0.177 5.503 -2.817) 6.185 7.727 ( 0.177 5.503 2.817) 6.185 7.992 ( 6.235 4.658 -9.453) 12.245 7.992 ( 6.235 4.658 9.453) 12.245 8.124 ( 1.079 16.918 -1.534) 17.022 8.124 ( 1.079 16.918 1.534) 17.022 8.699 ( -0.419 11.815 -0.531) 11.834 8.699 ( -0.419 11.815 0.531) 11.834 9.023 ( 7.045 0.778 -9.812) 12.104 9.023 ( 7.045 0.778 9.812) 12.104 9.616 ( 0.711 -5.354 -6.496) 8.448 9.616 ( 0.711 -5.354 6.496) 8.448 9.890 ( -8.041 1.969 -3.237) 8.889 9.890 ( -8.041 1.969 3.237) 8.889 10.186 ( -1.994 -2.510 -4.398) 5.443 10.186 ( -1.994 -2.510 4.398) 5.443 10.475 ( -2.477 1.443 -1.019) 3.042 10.475 ( -2.477 1.443 1.019) 3.042 11.124 ( 4.185 2.563 -5.660) 7.491 11.124 ( 4.185 2.563 5.660) 7.491 12.127 ( -1.254 -0.973 -3.332) 3.691 12.127 ( -1.254 -0.973 3.332) 3.691 12.182 ( -11.327 -6.855 -7.645) 15.288 12.182 ( -11.327 -6.855 7.645) 15.288 12.773 ( -0.440 -15.034 -0.847) 15.065 12.773 ( -0.440 -15.034 0.847) 15.065 12.976 ( -1.909 -4.964 -2.247) 5.773 12.976 ( -1.909 -4.964 2.247) 5.773 13.251 ( -2.022 -3.259 -5.037) 6.331 13.251 ( -2.022 -3.259 5.037) 6.331 13.465 ( 2.876 -1.685 -3.396) 4.758 13.465 ( 2.876 -1.685 3.396) 4.758 15.345 ( 6.962 13.184 -3.179) 15.244 15.345 ( 6.962 13.184 3.179) 15.244 16.011 ( 4.312 3.103 -4.336) 6.857 16.011 ( 4.312 3.103 4.336) 6.857 17.131 ( -0.751 -9.087 -6.436) 11.160 17.131 ( -0.751 -9.087 6.436) 11.160 17.589 ( -8.403 -13.956 -1.749) 16.384 17.589 ( -8.403 -13.956 1.749) 16.384 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 16.002 2.047 -10.911) 19.476 1.489 ( 16.002 2.047 10.911) 19.476 1.688 ( 11.020 7.571 -15.915) 20.786 1.688 ( 11.020 7.571 15.915) 20.786 1.888 ( -11.383 6.031 -3.887) 13.456 1.888 ( -11.383 6.031 3.887) 13.456 2.044 ( -15.339 10.304 -4.573) 19.036 2.044 ( -15.339 10.304 4.573) 19.036 2.364 ( 2.593 16.254 -6.449) 17.678 2.364 ( 2.593 16.254 6.449) 17.678 2.505 ( 2.432 15.876 -2.452) 16.247 2.505 ( 2.432 15.876 2.452) 16.247 2.596 ( -1.152 11.756 -0.092) 11.812 2.596 ( -1.152 11.756 0.092) 11.812 2.876 ( 6.081 8.762 -2.405) 10.933 2.876 ( 6.081 8.762 2.405) 10.933 3.059 ( 7.407 10.430 -2.742) 13.083 3.059 ( 7.407 10.430 2.742) 13.083 3.105 ( 10.159 10.892 -10.126) 18.010 3.105 ( 10.159 10.892 10.126) 18.010 3.327 ( -0.860 13.015 -2.759) 13.331 3.327 ( -0.860 13.015 2.759) 13.331 3.488 ( -13.675 6.316 -1.741) 15.163 3.488 ( -13.675 6.316 1.741) 15.163 3.753 ( -1.028 1.882 -5.104) 5.536 3.753 ( -1.028 1.882 5.104) 5.536 4.021 ( -5.233 -0.689 -6.439) 8.326 4.021 ( -5.233 -0.689 6.439) 8.326 4.689 ( -4.897 -1.694 -0.710) 5.230 4.689 ( -4.897 -1.694 0.710) 5.230 4.856 ( -0.329 -2.116 -3.070) 3.743 4.856 ( -0.329 -2.116 3.070) 3.743 5.404 ( 1.760 -3.393 -2.115) 4.368 5.404 ( 1.760 -3.393 2.115) 4.368 5.687 ( 6.565 -2.356 -7.270) 10.075 5.687 ( 6.565 -2.356 7.270) 10.075 5.777 ( -1.255 -4.468 -6.091) 7.657 5.777 ( -1.255 -4.468 6.091) 7.657 6.340 ( -1.124 -7.935 -4.518) 9.200 6.340 ( -1.124 -7.935 4.518) 9.200 7.251 ( 0.404 22.601 -1.041) 22.629 7.251 ( 0.404 22.601 1.041) 22.629 7.569 ( -0.956 0.136 -0.537) 1.104 7.569 ( -0.956 0.136 0.537) 1.104 7.779 ( 2.385 3.393 -2.456) 4.820 7.779 ( 2.385 3.393 2.456) 4.820 8.092 ( 3.642 3.459 -6.477) 8.196 8.092 ( 3.642 3.459 6.477) 8.196 8.135 ( -0.540 11.196 -1.080) 11.261 8.135 ( -0.540 11.196 1.080) 11.261 8.694 ( -0.096 11.356 -0.194) 11.358 8.694 ( -0.096 11.356 0.194) 11.358 9.265 ( 15.935 -0.630 -3.596) 16.348 9.265 ( 15.935 -0.630 3.596) 16.348 9.560 ( -9.518 -2.910 -1.958) 10.144 9.560 ( -9.518 -2.910 1.958) 10.144 9.783 ( -0.624 4.348 -2.428) 5.019 9.783 ( -0.624 4.348 2.428) 5.019 10.060 ( -7.591 -2.470 -3.860) 8.867 10.060 ( -7.591 -2.470 3.860) 8.867 10.433 ( -1.004 -0.832 -0.648) 1.456 10.433 ( -1.004 -0.832 0.648) 1.456 11.259 ( 7.002 1.896 -3.576) 8.088 11.259 ( 7.002 1.896 3.576) 8.088 11.881 ( -11.590 -0.345 -2.544) 11.871 11.881 ( -11.590 -0.345 2.544) 11.871 12.151 ( 0.372 -5.566 -1.367) 5.743 12.151 ( 0.372 -5.566 1.367) 5.743 12.812 ( 3.279 -13.542 -1.342) 13.998 12.812 ( 3.279 -13.542 1.342) 13.998 12.917 ( -3.462 -8.641 -2.465) 9.629 12.917 ( -3.462 -8.641 2.465) 9.629 13.243 ( 0.332 -1.290 -2.160) 2.537 13.243 ( 0.332 -1.290 2.160) 2.537 13.492 ( 0.353 0.644 -1.556) 1.721 13.492 ( 0.353 0.644 1.556) 1.721 15.469 ( 3.996 8.392 -1.626) 9.436 15.469 ( 3.996 8.392 1.626) 9.436 16.087 ( 2.357 2.845 -2.416) 4.414 16.087 ( 2.357 2.845 2.416) 4.414 17.106 ( -1.269 -9.735 -3.548) 10.439 17.106 ( -1.269 -9.735 3.548) 10.439 17.449 ( -4.049 -10.592 -1.666) 11.461 17.449 ( -4.049 -10.592 1.666) 11.461 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.000 12.795 -6.318) 14.270 1.399 ( 0.000 12.795 6.318) 14.270 1.659 ( 0.000 18.553 -8.387) 20.361 1.659 ( 0.000 18.553 8.387) 20.361 2.214 ( 0.000 5.038 -7.500) 9.035 2.214 ( 0.000 5.038 7.500) 9.035 2.439 ( 0.000 2.486 -3.957) 4.673 2.439 ( 0.000 2.486 3.957) 4.673 2.552 ( 0.000 1.185 -2.312) 2.598 2.552 ( 0.000 1.185 2.312) 2.598 2.831 ( 0.000 22.032 -3.000) 22.236 2.831 ( 0.000 22.032 3.000) 22.236 2.952 ( 0.000 31.114 -11.122) 33.042 2.952 ( 0.000 31.114 11.122) 33.042 3.044 ( 0.000 19.739 -1.400) 19.788 3.044 ( 0.000 19.739 1.400) 19.788 3.194 ( 0.000 18.536 -1.075) 18.567 3.194 ( 0.000 18.536 1.075) 18.567 3.263 ( 0.000 24.744 -2.053) 24.829 3.263 ( 0.000 24.744 2.053) 24.829 3.709 ( 0.000 11.751 -5.655) 13.041 3.709 ( 0.000 11.751 5.655) 13.041 3.839 ( 0.000 20.656 -4.311) 21.101 3.839 ( 0.000 20.656 4.311) 21.101 3.975 ( 0.000 4.130 -11.277) 12.010 3.975 ( 0.000 4.130 11.277) 12.010 4.288 ( 0.000 -1.191 -14.678) 14.727 4.288 ( 0.000 -1.191 14.678) 14.727 4.652 ( 0.000 1.593 -9.043) 9.183 4.652 ( 0.000 1.593 9.043) 9.183 4.903 ( 0.000 -5.763 -1.593) 5.979 4.903 ( 0.000 -5.763 1.593) 5.979 5.314 ( 0.000 -2.574 -3.624) 4.445 5.314 ( 0.000 -2.574 3.624) 4.445 5.489 ( 0.000 1.961 -1.328) 2.368 5.489 ( 0.000 1.961 1.328) 2.368 5.743 ( 0.000 1.178 -6.367) 6.475 5.743 ( 0.000 1.178 6.367) 6.475 6.121 ( 0.000 -10.776 -4.207) 11.568 6.121 ( 0.000 -10.776 4.207) 11.568 7.323 ( 0.000 -4.052 -5.602) 6.914 7.323 ( 0.000 -4.052 5.602) 6.914 7.552 ( 0.000 5.836 -5.057) 7.722 7.552 ( 0.000 5.836 5.057) 7.722 7.869 ( 0.000 1.898 -3.685) 4.145 7.869 ( 0.000 1.898 3.685) 4.145 8.113 ( 0.000 14.752 -3.506) 15.163 8.113 ( 0.000 14.752 3.506) 15.163 8.565 ( 0.000 22.061 -0.976) 22.082 8.565 ( 0.000 22.061 0.976) 22.082 8.935 ( 0.000 6.256 -6.903) 9.316 8.935 ( 0.000 6.256 6.903) 9.316 9.091 ( 0.000 11.994 -10.120) 15.693 9.091 ( 0.000 11.994 10.120) 15.693 9.471 ( 0.000 -3.610 -8.941) 9.642 9.471 ( 0.000 -3.610 8.941) 9.642 9.921 ( 0.000 -5.433 -0.287) 5.441 9.921 ( 0.000 -5.433 0.287) 5.441 10.268 ( 0.000 7.410 -3.398) 8.152 10.268 ( 0.000 7.410 3.398) 8.152 10.497 ( 0.000 -2.038 -0.292) 2.059 10.497 ( 0.000 -2.038 0.292) 2.059 11.145 ( 0.000 2.445 -7.704) 8.082 11.145 ( 0.000 2.445 7.704) 8.082 11.905 ( 0.000 -17.355 -2.700) 17.564 11.905 ( 0.000 -17.355 2.700) 17.564 12.183 ( 0.000 0.018 -7.264) 7.264 12.183 ( 0.000 0.018 7.264) 7.264 12.683 ( 0.000 -3.893 -3.443) 5.197 12.683 ( 0.000 -3.893 3.443) 5.197 12.908 ( 0.000 -3.533 -3.378) 4.888 12.908 ( 0.000 -3.533 3.378) 4.888 13.164 ( 0.000 -13.155 -0.630) 13.170 13.164 ( 0.000 -13.155 0.630) 13.170 13.246 ( 0.000 -6.290 -3.563) 7.229 13.246 ( 0.000 -6.290 3.563) 7.229 15.537 ( 0.000 8.723 -2.776) 9.154 15.537 ( 0.000 8.723 2.776) 9.154 16.042 ( 0.000 3.971 -6.363) 7.500 16.042 ( 0.000 3.971 6.363) 7.500 16.888 ( 0.000 -14.815 -4.360) 15.443 16.888 ( 0.000 -14.815 4.360) 15.443 17.282 ( 0.000 -22.203 -1.986) 22.292 17.282 ( 0.000 -22.203 1.986) 22.292 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 3.921 11.873 -11.340) 16.880 1.417 ( 3.921 11.873 11.340) 16.880 1.726 ( 5.987 15.246 -15.243) 22.375 1.726 ( 5.987 15.246 15.243) 22.375 2.187 ( -4.555 5.809 -7.373) 10.433 2.187 ( -4.555 5.809 7.373) 10.433 2.462 ( -6.871 3.905 -2.098) 8.176 2.462 ( -6.871 3.905 2.098) 8.176 2.554 ( 8.666 4.079 -3.364) 10.151 2.554 ( 8.666 4.079 3.364) 10.151 2.816 ( -0.597 20.289 -1.673) 20.367 2.816 ( -0.597 20.289 1.673) 20.367 2.943 ( -2.268 23.490 -2.294) 23.710 2.943 ( -2.268 23.490 2.294) 23.710 3.039 ( 3.387 22.833 -2.332) 23.201 3.039 ( 3.387 22.833 2.332) 23.201 3.260 ( 4.533 22.186 -6.746) 23.628 3.260 ( 4.533 22.186 6.746) 23.628 3.327 ( 5.058 18.776 -5.246) 20.141 3.327 ( 5.058 18.776 5.246) 20.141 3.689 ( -4.935 10.980 -2.184) 12.235 3.689 ( -4.935 10.980 2.184) 12.235 3.775 ( -1.384 16.123 -2.721) 16.409 3.775 ( -1.384 16.123 2.721) 16.409 4.009 ( 0.783 13.706 -7.723) 15.752 4.009 ( 0.783 13.706 7.723) 15.752 4.156 ( -9.226 1.438 -11.913) 15.136 4.156 ( -9.226 1.438 11.913) 15.136 4.708 ( 1.841 -1.450 -3.042) 3.840 4.708 ( 1.841 -1.450 3.042) 3.840 4.860 ( -4.436 -2.834 -2.842) 5.983 4.860 ( -4.436 -2.834 2.842) 5.983 5.270 ( -0.502 -4.712 -2.929) 5.571 5.270 ( -0.502 -4.712 2.929) 5.571 5.558 ( 4.843 1.962 -4.404) 6.834 5.558 ( 4.843 1.962 4.404) 6.834 5.740 ( -0.584 0.052 -5.452) 5.483 5.740 ( -0.584 0.052 5.452) 5.483 6.143 ( 1.686 -10.199 -7.160) 12.574 6.143 ( 1.686 -10.199 7.160) 12.574 7.422 ( 7.471 -2.266 -4.061) 8.800 7.422 ( 7.471 -2.266 4.061) 8.800 7.603 ( 5.840 5.497 -4.735) 9.314 7.603 ( 5.840 5.497 4.735) 9.314 7.822 ( -3.371 5.418 -0.953) 6.452 7.822 ( -3.371 5.418 0.953) 6.452 8.133 ( -0.193 8.741 -7.331) 11.410 8.133 ( -0.193 8.741 7.331) 11.410 8.561 ( -0.535 21.954 -0.888) 21.979 8.561 ( -0.535 21.954 0.888) 21.979 8.902 ( -0.549 5.097 -2.142) 5.556 8.902 ( -0.549 5.097 2.142) 5.556 9.146 ( 4.561 12.128 -7.219) 14.832 9.146 ( 4.561 12.128 7.219) 14.832 9.535 ( 5.446 -1.900 -7.645) 9.576 9.535 ( 5.446 -1.900 7.645) 9.576 9.855 ( -5.606 -3.182 -0.621) 6.476 9.855 ( -5.606 -3.182 0.621) 6.476 10.222 ( -5.329 4.391 -4.426) 8.202 10.222 ( -5.329 4.391 4.426) 8.202 10.467 ( -3.030 -1.590 -1.334) 3.673 10.467 ( -3.030 -1.590 1.334) 3.673 11.172 ( 3.464 1.912 -6.020) 7.204 11.172 ( 3.464 1.912 6.020) 7.204 11.888 ( -1.496 -13.913 -3.457) 14.413 11.888 ( -1.496 -13.913 3.457) 14.413 12.153 ( -4.772 -1.269 -7.706) 9.153 12.153 ( -4.772 -1.269 7.706) 9.153 12.621 ( -3.154 -2.352 -5.469) 6.738 12.621 ( -3.154 -2.352 5.469) 6.738 12.880 ( -3.541 -4.167 -5.079) 7.463 12.880 ( -3.541 -4.167 5.079) 7.463 13.095 ( -0.981 -11.458 -5.127) 12.591 13.095 ( -0.981 -11.458 5.127) 12.591 13.346 ( 4.377 -8.899 -2.615) 10.256 13.346 ( 4.377 -8.899 2.615) 10.256 15.571 ( 3.055 7.794 -2.335) 8.691 15.571 ( 3.055 7.794 2.335) 8.691 16.084 ( 3.593 3.344 -5.944) 7.708 16.084 ( 3.593 3.344 5.944) 7.708 16.877 ( -1.304 -15.033 -4.695) 15.803 16.877 ( -1.304 -15.033 4.695) 15.803 17.229 ( -4.380 -20.170 -2.103) 20.747 17.229 ( -4.380 -20.170 2.103) 20.747 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 11.213 7.030 -9.056) 16.037 1.587 ( 11.213 7.030 9.056) 16.037 1.845 ( 1.740 8.976 -12.846) 15.768 1.845 ( 1.740 8.976 12.846) 15.768 2.038 ( -5.421 8.316 -6.962) 12.125 2.038 ( -5.421 8.316 6.962) 12.125 2.278 ( -9.157 11.305 -6.743) 16.035 2.278 ( -9.157 11.305 6.743) 16.035 2.747 ( 7.521 11.533 -4.315) 14.429 2.747 ( 7.521 11.533 4.315) 14.429 2.835 ( 2.183 16.305 -1.527) 16.521 2.835 ( 2.183 16.305 1.527) 16.521 2.907 ( -1.524 19.509 -1.261) 19.609 2.907 ( -1.524 19.509 1.261) 19.609 3.113 ( 2.598 14.734 -1.703) 15.058 3.113 ( 2.598 14.734 1.703) 15.058 3.328 ( 1.216 16.863 -3.759) 17.319 3.328 ( 1.216 16.863 3.759) 17.319 3.389 ( -1.120 10.793 -2.600) 11.158 3.389 ( -1.120 10.793 2.600) 11.158 3.600 ( 0.660 18.407 -2.108) 18.539 3.600 ( 0.660 18.407 2.108) 18.539 3.795 ( 1.872 19.788 -5.884) 20.729 3.795 ( 1.872 19.788 5.884) 20.729 3.962 ( -4.271 20.559 -4.054) 21.386 3.962 ( -4.271 20.559 4.054) 21.386 4.025 ( -3.526 2.607 -5.087) 6.716 4.025 ( -3.526 2.607 5.087) 6.716 4.647 ( -4.645 -2.052 -2.275) 5.565 4.647 ( -4.645 -2.052 2.275) 5.565 4.813 ( -0.137 -1.637 -1.894) 2.507 4.813 ( -0.137 -1.637 1.894) 2.507 5.312 ( 2.556 -5.104 -2.851) 6.381 5.312 ( 2.556 -5.104 2.851) 6.381 5.644 ( 2.982 -1.373 -5.277) 6.215 5.644 ( 2.982 -1.373 5.277) 6.215 5.718 ( -1.265 -0.260 -3.893) 4.102 5.718 ( -1.265 -0.260 3.893) 4.102 6.168 ( 0.655 -8.959 -3.761) 9.738 6.168 ( 0.655 -8.959 3.761) 9.738 7.530 ( 3.013 0.029 -2.864) 4.157 7.530 ( 3.013 0.029 2.864) 4.157 7.725 ( 0.516 16.798 -1.874) 16.910 7.725 ( 0.516 16.798 1.874) 16.910 7.817 ( 6.455 0.311 -7.157) 9.643 7.817 ( 6.455 0.311 7.157) 9.643 8.064 ( -5.594 -0.570 -7.482) 9.359 8.064 ( -5.594 -0.570 7.482) 9.359 8.544 ( -0.767 21.156 -0.572) 21.178 8.544 ( -0.767 21.156 0.572) 21.178 8.921 ( 0.946 7.891 -0.803) 7.988 8.921 ( 0.946 7.891 0.803) 7.988 9.302 ( 10.852 4.328 -5.630) 12.969 9.302 ( 10.852 4.328 5.630) 12.969 9.566 ( -6.227 4.957 -3.279) 8.608 9.566 ( -6.227 4.957 3.279) 8.608 9.818 ( 6.093 -0.509 -5.625) 8.308 9.818 ( 6.093 -0.509 5.625) 8.308 10.040 ( -11.816 0.537 -5.235) 12.935 10.040 ( -11.816 0.537 5.235) 12.935 10.409 ( -1.754 -0.971 -1.113) 2.293 10.409 ( -1.754 -0.971 1.113) 2.293 11.279 ( 5.306 -0.342 -2.665) 5.948 11.279 ( 5.306 -0.342 2.665) 5.948 11.850 ( -2.317 -3.411 -3.705) 5.543 11.850 ( -2.317 -3.411 3.705) 5.543 12.002 ( -6.465 -5.806 -4.575) 9.820 12.002 ( -6.465 -5.806 4.575) 9.820 12.648 ( 5.092 -4.372 -6.814) 9.565 12.648 ( 5.092 -4.372 6.814) 9.565 12.773 ( -6.422 -4.389 -7.308) 10.673 12.773 ( -6.422 -4.389 7.308) 10.673 13.116 ( 1.424 -10.831 -1.996) 11.105 13.116 ( 1.424 -10.831 1.996) 11.105 13.392 ( 0.708 -9.468 -1.210) 9.571 13.392 ( 0.708 -9.468 1.210) 9.571 15.632 ( 2.211 6.339 -0.961) 6.782 15.632 ( 2.211 6.339 0.961) 6.782 16.150 ( 2.180 2.796 -2.878) 4.567 16.150 ( 2.180 2.796 2.878) 4.567 16.838 ( -1.851 -15.711 -2.642) 16.039 16.838 ( -1.851 -15.711 2.642) 16.039 17.158 ( -1.933 -17.095 -0.980) 17.232 17.158 ( -1.933 -17.095 0.980) 17.232 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 0.000 13.226 -2.973) 13.556 1.669 ( 0.000 13.226 2.973) 13.556 2.048 ( 0.000 18.693 -3.261) 18.976 2.048 ( 0.000 18.693 3.261) 18.976 2.322 ( 0.000 4.497 -1.492) 4.738 2.322 ( 0.000 4.497 1.492) 4.738 2.522 ( 0.000 4.671 -7.585) 8.908 2.522 ( 0.000 4.671 7.585) 8.908 2.560 ( 0.000 2.645 -4.674) 5.371 2.560 ( 0.000 2.645 4.674) 5.371 3.197 ( 0.000 9.673 -3.998) 10.467 3.197 ( 0.000 9.673 3.998) 10.467 3.357 ( 0.000 11.425 -7.483) 13.658 3.357 ( 0.000 11.425 7.483) 13.658 3.478 ( 0.000 14.295 -1.082) 14.336 3.478 ( 0.000 14.295 1.082) 14.336 3.616 ( 0.000 30.164 -4.351) 30.477 3.616 ( 0.000 30.164 4.351) 30.477 3.742 ( 0.000 14.204 -2.313) 14.392 3.742 ( 0.000 14.204 2.313) 14.392 3.963 ( 0.000 9.892 -8.550) 13.074 3.963 ( 0.000 9.892 8.550) 13.074 4.123 ( 0.000 14.373 -9.005) 16.961 4.123 ( 0.000 14.373 9.005) 16.961 4.259 ( 0.000 16.940 -7.789) 18.645 4.259 ( 0.000 16.940 7.789) 18.645 4.427 ( 0.000 16.835 -2.576) 17.031 4.427 ( 0.000 16.835 2.576) 17.031 4.744 ( 0.000 6.138 -3.926) 7.286 4.744 ( 0.000 6.138 3.926) 7.286 4.794 ( 0.000 -1.992 -2.612) 3.285 4.794 ( 0.000 -1.992 2.612) 3.285 5.284 ( 0.000 0.841 -0.966) 1.281 5.284 ( 0.000 0.841 0.966) 1.281 5.555 ( 0.000 4.314 -2.778) 5.131 5.555 ( 0.000 4.314 2.778) 5.131 5.787 ( 0.000 2.427 -7.642) 8.018 5.787 ( 0.000 2.427 7.642) 8.018 5.951 ( 0.000 -4.688 -1.196) 4.838 5.951 ( 0.000 -4.688 1.196) 4.838 7.253 ( 0.000 -1.791 -4.197) 4.563 7.253 ( 0.000 -1.791 4.197) 4.563 7.621 ( 0.000 2.327 -2.864) 3.690 7.621 ( 0.000 2.327 2.864) 3.690 7.906 ( 0.000 1.512 -1.099) 1.869 7.906 ( 0.000 1.512 1.099) 1.869 8.330 ( 0.000 5.285 -3.845) 6.536 8.330 ( 0.000 5.285 3.845) 6.536 8.933 ( 0.000 13.262 -1.995) 13.411 8.933 ( 0.000 13.262 1.995) 13.411 9.044 ( 0.000 4.406 -6.473) 7.830 9.044 ( 0.000 4.406 6.473) 7.830 9.235 ( 0.000 2.908 -14.081) 14.378 9.235 ( 0.000 2.908 14.081) 14.378 9.467 ( 0.000 -1.591 -8.523) 8.670 9.467 ( 0.000 -1.591 8.523) 8.670 9.915 ( 0.000 6.640 -6.692) 9.427 9.915 ( 0.000 6.640 6.692) 9.427 10.360 ( 0.000 0.344 -9.362) 9.368 10.360 ( 0.000 0.344 9.362) 9.368 10.506 ( 0.000 5.373 -3.028) 6.167 10.506 ( 0.000 5.373 3.028) 6.167 11.197 ( 0.000 2.668 -4.271) 5.036 11.197 ( 0.000 2.668 4.271) 5.036 11.678 ( 0.000 -4.928 -3.280) 5.920 11.678 ( 0.000 -4.928 3.280) 5.920 12.099 ( 0.000 -8.885 -8.523) 12.312 12.099 ( 0.000 -8.885 8.523) 12.312 12.567 ( 0.000 -6.736 -7.797) 10.304 12.567 ( 0.000 -6.736 7.797) 10.304 12.805 ( 0.000 -9.072 -3.257) 9.639 12.805 ( 0.000 -9.072 3.257) 9.639 12.914 ( 0.000 -11.704 -5.738) 13.035 12.914 ( 0.000 -11.704 5.738) 13.035 13.125 ( 0.000 -2.060 -1.545) 2.575 13.125 ( 0.000 -2.060 1.545) 2.575 15.641 ( 0.000 2.192 -3.315) 3.975 15.641 ( 0.000 2.192 3.315) 3.975 16.093 ( 0.000 0.507 -6.788) 6.807 16.093 ( 0.000 0.507 6.788) 6.807 16.571 ( 0.000 -15.086 -2.049) 15.225 16.571 ( 0.000 -15.086 2.049) 15.225 16.828 ( 0.000 -21.451 -2.799) 21.633 16.828 ( 0.000 -21.451 2.799) 21.633 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 1.733 13.023 -3.394) 13.569 1.677 ( 1.733 13.023 3.394) 13.569 2.053 ( 1.049 16.010 -7.287) 17.622 2.053 ( 1.049 16.010 7.287) 17.622 2.323 ( -3.251 6.743 -5.385) 9.221 2.323 ( -3.251 6.743 5.385) 9.221 2.513 ( -0.569 2.134 -1.371) 2.599 2.513 ( -0.569 2.134 1.371) 2.599 2.632 ( 8.372 5.170 -4.862) 10.975 2.632 ( 8.372 5.170 4.862) 10.975 3.121 ( -5.056 7.706 -8.040) 12.231 3.121 ( -5.056 7.706 8.040) 12.231 3.367 ( -0.289 17.407 -0.245) 17.411 3.367 ( -0.289 17.407 0.245) 17.411 3.457 ( -3.336 6.819 -2.107) 7.879 3.457 ( -3.336 6.819 2.107) 7.879 3.601 ( -0.521 25.800 -4.768) 26.242 3.601 ( -0.521 25.800 4.768) 26.242 3.742 ( -1.311 12.993 -2.181) 13.239 3.742 ( -1.311 12.993 2.181) 13.239 3.972 ( 1.566 13.108 -4.373) 13.906 3.972 ( 1.566 13.108 4.373) 13.906 4.142 ( 3.191 18.925 -10.024) 21.652 4.142 ( 3.191 18.925 10.024) 21.652 4.243 ( -2.201 16.516 -2.512) 16.850 4.243 ( -2.201 16.516 2.512) 16.850 4.440 ( 1.223 18.435 -2.349) 18.624 4.440 ( 1.223 18.435 2.349) 18.624 4.691 ( -2.846 0.844 -4.604) 5.478 4.691 ( -2.846 0.844 4.604) 5.478 4.857 ( 1.501 3.665 -2.135) 4.499 4.857 ( 1.501 3.665 2.135) 4.499 5.216 ( -2.498 1.772 -1.951) 3.631 5.216 ( -2.498 1.772 1.951) 3.631 5.626 ( 4.434 4.619 -1.202) 6.514 5.626 ( 4.434 4.619 1.202) 6.514 5.773 ( -1.277 2.457 -5.046) 5.756 5.773 ( -1.277 2.457 5.046) 5.756 5.957 ( 0.534 -7.046 -5.440) 8.918 5.957 ( 0.534 -7.046 5.440) 8.918 7.363 ( 9.475 -1.995 -3.513) 10.301 7.363 ( 9.475 -1.995 3.513) 10.301 7.666 ( 4.328 2.481 -5.242) 7.236 7.666 ( 4.328 2.481 5.242) 7.236 7.913 ( 0.968 2.665 -4.326) 5.173 7.913 ( 0.968 2.665 4.326) 5.173 8.270 ( -6.377 3.282 -5.793) 9.220 8.270 ( -6.377 3.282 5.793) 9.220 8.912 ( -0.606 10.062 -1.854) 10.250 8.912 ( -0.606 10.062 1.854) 10.250 9.006 ( -1.732 7.314 -2.152) 7.818 9.006 ( -1.732 7.314 2.152) 7.818 9.327 ( 4.480 4.215 -7.244) 9.503 9.327 ( 4.480 4.215 7.244) 9.503 9.508 ( 5.573 -3.388 -11.184) 12.947 9.508 ( 5.573 -3.388 11.184) 12.947 9.895 ( -1.750 8.314 -6.392) 10.632 9.895 ( -1.750 8.314 6.392) 10.632 10.279 ( -8.116 0.099 -6.554) 10.433 10.279 ( -8.116 0.099 6.554) 10.433 10.480 ( -2.412 4.717 -2.713) 5.952 10.480 ( -2.412 4.717 2.713) 5.952 11.207 ( 1.536 1.746 -3.291) 4.029 11.207 ( 1.536 1.746 3.291) 4.029 11.706 ( 2.747 -3.407 -3.434) 5.563 11.706 ( 2.747 -3.407 3.434) 5.563 12.070 ( -3.561 -7.556 -8.751) 12.098 12.070 ( -3.561 -7.556 8.751) 12.098 12.573 ( -0.705 -3.476 -8.564) 9.269 12.573 ( -0.705 -3.476 8.564) 9.269 12.747 ( -3.572 -11.222 -2.242) 11.988 12.747 ( -3.572 -11.222 2.242) 11.988 12.870 ( -2.408 -8.780 -8.308) 12.325 12.870 ( -2.408 -8.780 8.308) 12.325 13.159 ( 1.667 -6.927 -1.211) 7.227 13.159 ( 1.667 -6.927 1.211) 7.227 15.666 ( 2.282 2.056 -2.593) 4.020 15.666 ( 2.282 2.056 2.593) 4.020 16.122 ( 2.706 -0.186 -6.214) 6.780 16.122 ( 2.706 -0.186 6.214) 6.780 16.559 ( -1.675 -14.962 -2.886) 15.330 16.559 ( -1.675 -14.962 2.886) 15.330 16.807 ( -1.535 -20.241 -2.144) 20.412 16.807 ( -1.535 -20.241 2.144) 20.412 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 5.360 9.432 -3.949) 11.545 1.759 ( 5.360 9.432 3.949) 11.545 2.052 ( -3.175 10.656 -4.418) 11.965 2.052 ( -3.175 10.656 4.418) 11.965 2.234 ( -1.567 10.711 -4.991) 11.920 2.234 ( -1.567 10.711 4.991) 11.920 2.487 ( -2.275 9.376 -4.260) 10.547 2.487 ( -2.275 9.376 4.260) 10.547 2.846 ( 10.884 2.303 -3.825) 11.764 2.846 ( 10.884 2.303 3.825) 11.764 3.041 ( -4.041 4.927 -2.365) 6.796 3.041 ( -4.041 4.927 2.365) 6.796 3.320 ( -3.335 5.480 -3.720) 7.416 3.320 ( -3.335 5.480 3.720) 7.416 3.384 ( -2.386 18.948 -1.690) 19.172 3.384 ( -2.386 18.948 1.690) 19.172 3.608 ( 1.264 18.225 -2.857) 18.491 3.608 ( 1.264 18.225 2.857) 18.491 3.676 ( -3.777 10.349 -2.951) 11.405 3.676 ( -3.777 10.349 2.951) 11.405 4.047 ( 4.963 20.262 -4.669) 21.377 4.047 ( 4.963 20.262 4.669) 21.377 4.159 ( -3.869 16.198 -5.185) 17.442 4.159 ( -3.869 16.198 5.185) 17.442 4.275 ( 7.310 21.184 -7.494) 23.629 4.275 ( 7.310 21.184 7.494) 23.629 4.422 ( -4.448 19.069 -4.470) 20.084 4.422 ( -4.448 19.069 4.470) 20.084 4.636 ( -1.888 2.913 -5.456) 6.467 4.636 ( -1.888 2.913 5.456) 6.467 4.833 ( -1.646 5.262 -1.088) 5.620 4.833 ( -1.646 5.262 1.088) 5.620 5.243 ( 2.688 0.907 -1.681) 3.298 5.243 ( 2.688 0.907 1.681) 3.298 5.671 ( 0.014 4.974 -3.580) 6.128 5.671 ( 0.014 4.974 3.580) 6.128 5.758 ( 0.255 3.472 -0.422) 3.507 5.758 ( 0.255 3.472 0.422) 3.507 5.967 ( 0.366 -10.553 -3.458) 11.111 5.967 ( 0.366 -10.553 3.458) 11.111 7.532 ( 5.009 0.768 -1.950) 5.429 7.532 ( 5.009 0.768 1.950) 5.429 7.791 ( 8.173 -0.968 -9.884) 12.862 7.791 ( 8.173 -0.968 9.884) 12.862 7.933 ( -0.909 3.212 -8.340) 8.983 7.933 ( -0.909 3.212 8.340) 8.983 8.106 ( -7.458 3.639 -2.661) 8.714 8.106 ( -7.458 3.639 2.661) 8.714 8.899 ( -0.842 12.134 -0.751) 12.186 8.899 ( -0.842 12.134 0.751) 12.186 9.020 ( 2.072 3.557 -1.603) 4.417 9.020 ( 2.072 3.557 1.603) 4.417 9.351 ( -0.482 0.167 -4.372) 4.402 9.351 ( -0.482 0.167 4.372) 4.402 9.682 ( 8.460 0.302 -8.475) 11.978 9.682 ( 8.460 0.302 8.475) 11.978 9.877 ( 2.037 8.697 -3.683) 9.662 9.877 ( 2.037 8.697 3.683) 9.662 10.058 ( -12.685 1.173 -3.551) 13.225 10.058 ( -12.685 1.173 3.551) 13.225 10.432 ( -1.649 4.439 -1.039) 4.848 10.432 ( -1.649 4.439 1.039) 4.848 11.257 ( 2.344 -1.093 -1.062) 2.796 11.257 ( 2.344 -1.093 1.062) 2.796 11.789 ( 5.815 -0.897 -2.715) 6.480 11.789 ( 5.815 -0.897 2.715) 6.480 11.943 ( -8.365 -2.007 -5.062) 9.981 11.943 ( -8.365 -2.007 5.062) 9.981 12.542 ( -0.884 -6.746 -3.197) 7.517 12.542 ( -0.884 -6.746 3.197) 7.517 12.707 ( -1.269 -5.023 -3.585) 6.300 12.707 ( -1.269 -5.023 3.585) 6.300 12.852 ( 0.363 -12.709 -4.356) 13.440 12.852 ( 0.363 -12.709 4.356) 13.440 13.171 ( -0.113 -10.096 -0.756) 10.125 13.171 ( -0.113 -10.096 0.756) 10.125 15.711 ( 1.586 1.535 -0.948) 2.402 15.711 ( 1.586 1.535 0.948) 2.402 16.181 ( 2.368 -0.306 -3.220) 4.009 16.181 ( 2.368 -0.306 3.220) 4.009 16.506 ( -2.597 -15.737 -2.111) 16.089 16.506 ( -2.597 -15.737 2.111) 16.089 16.789 ( -0.287 -18.056 -0.608) 18.069 16.789 ( -0.287 -18.056 0.608) 18.069 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 0.000 11.543 -2.303) 11.770 1.925 ( 0.000 11.543 2.303) 11.770 2.353 ( 0.000 6.660 -1.398) 6.805 2.353 ( 0.000 6.660 1.398) 6.805 2.436 ( 0.000 11.127 -1.186) 11.190 2.436 ( 0.000 11.127 1.186) 11.190 2.538 ( 0.000 0.374 -0.960) 1.030 2.538 ( 0.000 0.374 0.960) 1.030 2.755 ( 0.000 12.292 -2.833) 12.614 2.755 ( 0.000 12.292 2.833) 12.614 3.274 ( 0.000 0.825 -3.018) 3.128 3.274 ( 0.000 0.825 3.018) 3.128 3.474 ( 0.000 0.647 -5.017) 5.059 3.474 ( 0.000 0.647 5.017) 5.059 3.744 ( 0.000 8.162 -8.289) 11.632 3.744 ( 0.000 8.162 8.289) 11.632 3.905 ( 0.000 4.891 -1.185) 5.033 3.905 ( 0.000 4.891 1.185) 5.033 3.921 ( 0.000 -3.699 -8.516) 9.285 3.921 ( 0.000 -3.699 8.516) 9.285 4.169 ( 0.000 17.924 -2.729) 18.130 4.169 ( 0.000 17.924 2.729) 18.130 4.472 ( 0.000 9.780 -7.985) 12.625 4.472 ( 0.000 9.780 7.985) 12.625 4.624 ( 0.000 18.417 -1.337) 18.466 4.624 ( 0.000 18.417 1.337) 18.466 4.660 ( 0.000 3.029 -5.219) 6.035 4.660 ( 0.000 3.029 5.219) 6.035 4.902 ( 0.000 16.811 -3.081) 17.091 4.902 ( 0.000 16.811 3.081) 17.091 4.982 ( 0.000 15.528 -3.392) 15.894 4.982 ( 0.000 15.528 3.392) 15.894 5.362 ( 0.000 2.704 -7.538) 8.008 5.362 ( 0.000 2.704 7.538) 8.008 5.666 ( 0.000 9.622 -6.293) 11.498 5.666 ( 0.000 9.622 6.293) 11.498 5.847 ( 0.000 4.293 -4.225) 6.023 5.847 ( 0.000 4.293 4.225) 6.023 5.988 ( 0.000 8.013 -2.376) 8.358 5.988 ( 0.000 8.013 2.376) 8.358 7.271 ( 0.000 3.726 -3.014) 4.793 7.271 ( 0.000 3.726 3.014) 4.793 7.686 ( 0.000 4.471 -0.268) 4.480 7.686 ( 0.000 4.471 0.268) 4.480 7.929 ( 0.000 0.932 -3.993) 4.100 7.929 ( 0.000 0.932 3.993) 4.100 8.343 ( 0.000 -3.023 -4.804) 5.676 8.343 ( 0.000 -3.023 4.804) 5.676 9.073 ( 0.000 3.544 -7.024) 7.868 9.073 ( 0.000 3.544 7.024) 7.868 9.131 ( 0.000 0.671 -7.639) 7.669 9.131 ( 0.000 0.671 7.639) 7.669 9.247 ( 0.000 -2.691 -12.048) 12.345 9.247 ( 0.000 -2.691 12.048) 12.345 9.416 ( 0.000 1.252 -2.792) 3.060 9.416 ( 0.000 1.252 2.792) 3.060 10.087 ( 0.000 7.563 -7.264) 10.486 10.087 ( 0.000 7.563 7.264) 10.486 10.361 ( 0.000 0.127 -10.066) 10.067 10.361 ( 0.000 0.127 10.066) 10.067 10.652 ( 0.000 7.275 -2.988) 7.865 10.652 ( 0.000 7.275 2.988) 7.865 11.242 ( 0.000 1.195 -1.429) 1.863 11.242 ( 0.000 1.195 1.429) 1.863 11.606 ( 0.000 -8.137 -11.653) 14.213 11.606 ( 0.000 -8.137 11.653) 14.213 11.911 ( 0.000 -2.795 -0.014) 2.795 11.911 ( 0.000 -2.795 0.014) 2.795 12.439 ( 0.000 -8.917 -1.167) 8.993 12.439 ( 0.000 -8.917 1.167) 8.993 12.524 ( 0.000 -15.228 -7.205) 16.847 12.524 ( 0.000 -15.228 7.205) 16.847 12.691 ( 0.000 -8.325 -2.051) 8.574 12.691 ( 0.000 -8.325 2.051) 8.574 13.172 ( 0.000 4.319 -3.315) 5.444 13.172 ( 0.000 4.319 3.315) 5.444 15.647 ( 0.000 -1.264 -4.715) 4.882 15.647 ( 0.000 -1.264 4.715) 4.882 16.039 ( 0.000 -5.657 -6.613) 8.702 16.039 ( 0.000 -5.657 6.613) 8.702 16.288 ( 0.000 -14.432 -1.850) 14.550 16.288 ( 0.000 -14.432 1.850) 14.550 16.477 ( 0.000 -9.948 -5.668) 11.450 16.477 ( 0.000 -9.948 5.668) 11.450 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.663 11.396 -0.864) 11.448 1.929 ( 0.663 11.396 0.864) 11.448 2.330 ( -2.100 9.408 -2.139) 9.874 2.330 ( -2.100 9.408 2.139) 9.874 2.444 ( -1.168 5.642 -6.198) 8.463 2.444 ( -1.168 5.642 6.198) 8.463 2.571 ( 4.838 4.274 -3.298) 7.249 2.571 ( 4.838 4.274 3.298) 7.249 2.792 ( 3.624 10.257 -3.504) 11.429 2.792 ( 3.624 10.257 3.504) 11.429 3.200 ( -4.608 1.790 -9.593) 10.791 3.200 ( -4.608 1.790 9.593) 10.791 3.454 ( -5.106 -0.543 -7.904) 9.426 3.454 ( -5.106 -0.543 7.904) 9.426 3.713 ( -2.507 7.686 -8.051) 11.409 3.713 ( -2.507 7.686 8.051) 11.409 3.830 ( -1.664 1.481 -7.088) 7.430 3.830 ( -1.664 1.481 7.088) 7.430 4.015 ( 3.143 8.124 -5.245) 10.168 4.015 ( 3.143 8.124 5.245) 10.168 4.163 ( 1.017 11.468 -1.446) 11.604 4.163 ( 1.017 11.468 1.446) 11.604 4.445 ( -2.685 6.791 -4.742) 8.707 4.445 ( -2.685 6.791 4.742) 8.707 4.626 ( 0.977 15.740 -5.173) 16.597 4.626 ( 0.977 15.740 5.173) 16.597 4.708 ( 3.010 6.511 -4.037) 8.230 4.708 ( 3.010 6.511 4.037) 8.230 4.875 ( -0.827 19.392 -3.045) 19.647 4.875 ( -0.827 19.392 3.045) 19.647 5.002 ( 0.302 12.453 -4.159) 13.133 5.002 ( 0.302 12.453 4.159) 13.133 5.402 ( 3.790 10.477 -6.946) 13.129 5.402 ( 3.790 10.477 6.946) 13.129 5.689 ( 1.960 3.525 -5.889) 7.137 5.689 ( 1.960 3.525 5.889) 7.137 5.838 ( -0.639 5.238 -3.867) 6.542 5.838 ( -0.639 5.238 3.867) 6.542 5.961 ( -2.550 8.262 -2.375) 8.967 5.961 ( -2.550 8.262 2.375) 8.967 7.367 ( 8.849 2.697 -3.438) 9.870 7.367 ( 8.849 2.697 3.438) 9.870 7.744 ( 4.722 5.426 -3.702) 8.090 7.744 ( 4.722 5.426 3.702) 8.090 7.936 ( 0.921 -0.050 -5.354) 5.432 7.936 ( 0.921 -0.050 5.354) 5.432 8.273 ( -6.494 -2.221 -4.684) 8.310 8.273 ( -6.494 -2.221 4.684) 8.310 9.030 ( -1.496 4.467 -5.908) 7.556 9.030 ( -1.496 4.467 5.908) 7.556 9.100 ( -2.385 -0.631 -3.605) 4.369 9.100 ( -2.385 -0.631 3.605) 4.369 9.352 ( 4.123 -4.787 -7.197) 9.576 9.352 ( 4.123 -4.787 7.197) 9.576 9.453 ( 6.209 3.394 -2.276) 7.433 9.453 ( 6.209 3.394 2.276) 7.433 10.066 ( -1.967 6.129 -6.894) 9.432 10.066 ( -1.967 6.129 6.894) 9.432 10.262 ( -9.023 -0.974 -7.043) 11.488 10.262 ( -9.023 -0.974 7.043) 11.488 10.640 ( -1.144 9.466 -2.481) 9.852 10.640 ( -1.144 9.466 2.481) 9.852 11.238 ( -0.179 0.757 -1.129) 1.371 11.238 ( -0.179 0.757 1.129) 1.371 11.663 ( 5.053 -7.421 -9.243) 12.885 11.663 ( 5.053 -7.421 9.243) 12.885 11.896 ( -1.270 -3.560 -4.693) 6.026 11.896 ( -1.270 -3.560 4.693) 6.026 12.445 ( -2.501 -14.175 -4.186) 14.990 12.445 ( -2.501 -14.175 4.186) 14.990 12.504 ( 1.000 -6.930 -8.351) 10.898 12.504 ( 1.000 -6.930 8.351) 10.898 12.682 ( -0.863 -7.825 -6.087) 9.951 12.682 ( -0.863 -7.825 6.087) 9.951 13.121 ( -4.362 1.560 -4.803) 6.673 13.121 ( -4.362 1.560 4.803) 6.673 15.669 ( 1.832 -1.594 -3.685) 4.414 15.669 ( 1.832 -1.594 3.685) 4.414 16.050 ( 1.477 -6.582 -5.445) 8.669 16.050 ( 1.477 -6.582 5.445) 8.669 16.289 ( -0.838 -13.106 -1.896) 13.269 16.289 ( -0.838 -13.106 1.896) 13.269 16.473 ( 0.054 -9.650 -4.730) 10.747 16.473 ( 0.054 -9.650 4.730) 10.747 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 1.477 9.434 -0.751) 9.579 1.955 ( 1.477 9.434 0.751) 9.579 2.255 ( -3.857 8.855 -0.208) 9.661 2.255 ( -3.857 8.855 0.208) 9.661 2.447 ( 1.251 9.162 -3.001) 9.722 2.447 ( 1.251 9.162 3.001) 9.722 2.654 ( 1.693 6.412 -3.275) 7.396 2.654 ( 1.693 6.412 3.275) 7.396 2.909 ( 7.928 4.857 -2.594) 9.653 2.909 ( 7.928 4.857 2.594) 9.653 3.117 ( -5.235 3.940 -3.690) 7.520 3.117 ( -5.235 3.940 3.690) 7.520 3.318 ( -4.895 -1.692 -3.506) 6.254 3.318 ( -4.895 -1.692 3.506) 6.254 3.639 ( -3.383 2.023 -4.243) 5.791 3.639 ( -3.383 2.023 4.243) 5.791 3.847 ( 1.667 10.990 -3.527) 11.662 3.847 ( 1.667 10.990 3.527) 11.662 4.014 ( -1.449 15.667 -3.174) 16.051 4.014 ( -1.449 15.667 3.174) 16.051 4.245 ( 5.456 1.329 -4.883) 7.442 4.245 ( 5.456 1.329 4.883) 7.442 4.368 ( -4.572 4.265 -3.775) 7.304 4.368 ( -4.572 4.265 3.775) 7.304 4.670 ( 3.213 13.530 -6.662) 15.420 4.670 ( 3.213 13.530 6.662) 15.420 4.727 ( -1.531 9.220 -6.018) 11.116 4.727 ( -1.531 9.220 6.018) 11.116 4.891 ( 1.648 21.699 -4.372) 22.196 4.891 ( 1.648 21.699 4.372) 22.196 4.984 ( -1.345 11.541 -4.560) 12.482 4.984 ( -1.345 11.541 4.560) 12.482 5.480 ( 2.803 19.147 -3.176) 19.610 5.480 ( 2.803 19.147 3.176) 19.610 5.724 ( 1.019 -8.183 -3.026) 8.784 5.724 ( 1.019 -8.183 3.026) 8.784 5.839 ( 1.279 7.853 -2.786) 8.430 5.839 ( 1.279 7.853 2.786) 8.430 5.897 ( -3.427 9.758 -2.306) 10.597 5.897 ( -3.427 9.758 2.306) 10.597 7.564 ( 8.401 2.340 -3.161) 9.276 7.564 ( 8.401 2.340 3.161) 9.276 7.811 ( 1.225 3.221 -6.472) 7.332 7.811 ( 1.225 3.221 6.472) 7.332 7.955 ( -0.626 0.361 -8.366) 8.397 7.955 ( -0.626 0.361 8.366) 8.397 8.145 ( -3.690 0.118 -1.971) 4.185 8.145 ( -3.690 0.118 1.971) 4.185 9.025 ( 0.453 1.950 -2.947) 3.563 9.025 ( 0.453 1.950 2.947) 3.563 9.074 ( -0.175 0.723 -2.912) 3.005 9.074 ( -0.175 0.723 2.912) 3.005 9.340 ( -2.162 -1.351 -1.961) 3.217 9.340 ( -2.162 -1.351 1.961) 3.217 9.652 ( 9.655 -1.060 -5.768) 11.297 9.652 ( 9.655 -1.060 5.768) 11.297 10.009 ( -4.761 4.402 -7.516) 9.927 10.009 ( -4.761 4.402 7.516) 9.927 10.076 ( -5.918 -0.807 -4.403) 7.420 10.076 ( -5.918 -0.807 4.403) 7.420 10.613 ( -1.127 11.924 -1.120) 12.030 10.613 ( -1.127 11.924 1.120) 12.030 11.242 ( 0.409 -0.914 -0.409) 1.082 11.242 ( 0.409 -0.914 0.409) 1.082 11.765 ( 3.763 -5.750 -3.569) 7.744 11.765 ( 3.763 -5.750 3.569) 7.744 11.871 ( -0.899 -4.598 -3.166) 5.654 11.871 ( -0.899 -4.598 3.166) 5.654 12.357 ( -3.712 -9.461 -2.041) 10.366 12.357 ( -3.712 -9.461 2.041) 10.366 12.554 ( 2.022 -7.723 -7.694) 11.087 12.554 ( 2.022 -7.723 7.694) 11.087 12.664 ( -0.602 -5.534 -7.327) 9.201 12.664 ( -0.602 -5.534 7.327) 9.201 13.039 ( -2.746 -3.394 -2.757) 5.163 13.039 ( -2.746 -3.394 2.757) 5.163 15.702 ( 0.993 -2.517 -1.342) 3.020 15.702 ( 0.993 -2.517 1.342) 3.020 16.102 ( 3.093 -7.814 -2.761) 8.845 16.102 ( 3.093 -7.814 2.761) 8.845 16.239 ( -3.314 -10.260 -0.268) 10.786 16.239 ( -3.314 -10.260 0.268) 10.786 16.485 ( 0.725 -9.790 -1.458) 9.924 16.485 ( 0.725 -9.790 1.458) 9.924 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.000 8.104 -1.235) 8.197 2.127 ( 0.000 8.104 1.235) 8.197 2.435 ( 0.000 3.325 -2.138) 3.953 2.435 ( 0.000 3.325 2.138) 3.953 2.536 ( 0.000 1.266 -2.715) 2.996 2.536 ( 0.000 1.266 2.715) 2.996 2.686 ( 0.000 9.330 -0.756) 9.361 2.686 ( 0.000 9.330 0.756) 9.361 3.007 ( 0.000 11.820 -4.351) 12.596 3.007 ( 0.000 11.820 4.351) 12.596 3.273 ( 0.000 -0.376 -4.960) 4.974 3.273 ( 0.000 -0.376 4.960) 4.974 3.466 ( 0.000 -0.311 -2.843) 2.860 3.466 ( 0.000 -0.311 2.843) 2.860 3.721 ( 0.000 -7.162 -0.339) 7.170 3.721 ( 0.000 -7.162 0.339) 7.170 3.837 ( 0.000 -4.096 -4.797) 6.308 3.837 ( 0.000 -4.096 4.797) 6.308 3.950 ( 0.000 -1.353 -0.180) 1.365 3.950 ( 0.000 -1.353 0.180) 1.365 4.448 ( 0.000 8.556 -4.384) 9.614 4.448 ( 0.000 8.556 4.384) 9.614 4.571 ( 0.000 3.908 -3.399) 5.179 4.571 ( 0.000 3.908 3.399) 5.179 4.701 ( 0.000 2.441 -2.817) 3.727 4.701 ( 0.000 2.441 2.817) 3.727 4.918 ( 0.000 8.185 -6.205) 10.272 4.918 ( 0.000 8.185 6.205) 10.272 5.194 ( 0.000 7.386 -5.508) 9.214 5.194 ( 0.000 7.386 5.508) 9.214 5.304 ( 0.000 8.875 -0.101) 8.876 5.304 ( 0.000 8.875 0.101) 8.876 5.457 ( 0.000 17.467 -3.522) 17.819 5.457 ( 0.000 17.467 3.522) 17.819 5.866 ( 0.000 2.297 -0.240) 2.309 5.866 ( 0.000 2.297 0.240) 2.309 6.029 ( 0.000 16.997 -1.053) 17.029 6.029 ( 0.000 16.997 1.053) 17.029 6.224 ( 0.000 12.798 -0.562) 12.811 6.224 ( 0.000 12.798 0.562) 12.811 7.396 ( 0.000 8.064 -2.576) 8.466 7.396 ( 0.000 8.064 2.576) 8.466 7.793 ( 0.000 4.699 -4.487) 6.497 7.793 ( 0.000 4.699 4.487) 6.497 7.953 ( 0.000 1.940 -6.453) 6.738 7.953 ( 0.000 1.940 6.453) 6.738 8.257 ( 0.000 -4.024 -4.765) 6.237 8.257 ( 0.000 -4.024 4.765) 6.237 9.039 ( 0.000 -4.689 -7.868) 9.159 9.039 ( 0.000 -4.689 7.868) 9.159 9.087 ( 0.000 -9.392 -6.267) 11.291 9.087 ( 0.000 -9.392 6.267) 11.291 9.245 ( 0.000 9.505 -8.693) 12.881 9.245 ( 0.000 9.505 8.693) 12.881 9.532 ( 0.000 7.427 -3.753) 8.322 9.532 ( 0.000 7.427 3.753) 8.322 10.193 ( 0.000 2.775 -10.164) 10.536 10.193 ( 0.000 2.775 10.164) 10.536 10.328 ( 0.000 -4.242 -9.390) 10.304 10.328 ( 0.000 -4.242 9.390) 10.304 10.758 ( 0.000 1.814 -1.035) 2.088 10.758 ( 0.000 1.814 1.035) 2.088 11.210 ( 0.000 -5.332 -6.150) 8.139 11.210 ( 0.000 -5.332 6.150) 8.139 11.378 ( 0.000 -7.342 -6.987) 10.135 11.378 ( 0.000 -7.342 6.987) 10.135 12.008 ( 0.000 1.160 -3.145) 3.352 12.008 ( 0.000 1.160 3.145) 3.352 12.038 ( 0.000 -16.263 -0.026) 16.263 12.038 ( 0.000 -16.263 0.026) 16.263 12.393 ( 0.000 -4.460 -2.765) 5.247 12.393 ( 0.000 -4.460 2.765) 5.247 12.583 ( 0.000 -2.051 -3.680) 4.213 12.583 ( 0.000 -2.051 3.680) 4.213 13.251 ( 0.000 2.975 -3.498) 4.592 13.251 ( 0.000 2.975 3.498) 4.592 15.592 ( 0.000 -3.999 -5.355) 6.684 15.592 ( 0.000 -3.999 5.355) 6.684 15.928 ( 0.000 -4.059 -3.435) 5.317 15.928 ( 0.000 -4.059 3.435) 5.317 15.985 ( 0.000 -13.027 -1.309) 13.092 15.985 ( 0.000 -13.027 1.309) 13.092 16.400 ( 0.000 -0.468 -4.714) 4.737 16.400 ( 0.000 -0.468 4.714) 4.737 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 0.350 8.472 -0.613) 8.501 2.133 ( 0.350 8.472 0.613) 8.501 2.428 ( -0.978 2.090 -2.173) 3.170 2.428 ( -0.978 2.090 2.173) 3.170 2.546 ( 1.120 3.913 -3.940) 5.664 2.546 ( 1.120 3.913 3.940) 5.664 2.695 ( 1.383 6.208 -1.179) 6.468 2.695 ( 1.383 6.208 1.179) 6.468 3.016 ( 0.576 10.807 -4.185) 11.604 3.016 ( 0.576 10.807 4.185) 11.604 3.230 ( -1.590 1.462 -7.790) 8.083 3.230 ( -1.590 1.462 7.790) 8.083 3.446 ( -4.587 0.734 -3.110) 5.590 3.446 ( -4.587 0.734 3.110) 5.590 3.714 ( -6.488 -3.415 -5.304) 9.049 3.714 ( -6.488 -3.415 5.304) 9.049 3.801 ( 6.640 -5.684 -6.077) 10.646 3.801 ( 6.640 -5.684 6.077) 10.646 4.031 ( 3.747 -3.109 -3.441) 5.962 4.031 ( 3.747 -3.109 3.441) 5.962 4.404 ( -2.889 8.030 -1.445) 8.656 4.404 ( -2.889 8.030 1.445) 8.656 4.560 ( -2.334 5.986 -4.325) 7.745 4.560 ( -2.334 5.986 4.325) 7.745 4.725 ( 2.343 2.253 -2.777) 4.275 4.725 ( 2.343 2.253 2.777) 4.275 4.891 ( -1.546 7.079 -5.484) 9.087 4.891 ( -1.546 7.079 5.484) 9.087 5.246 ( 3.330 6.673 -5.139) 9.057 5.246 ( 3.330 6.673 5.139) 9.057 5.275 ( -1.183 12.390 -2.520) 12.699 5.275 ( -1.183 12.390 2.520) 12.699 5.522 ( 4.941 12.900 -2.927) 14.121 5.522 ( 4.941 12.900 2.927) 14.121 5.850 ( -1.477 3.415 -0.127) 3.722 5.850 ( -1.477 3.415 0.127) 3.722 6.038 ( 0.904 17.017 -0.751) 17.058 6.038 ( 0.904 17.017 0.751) 17.058 6.210 ( -1.247 13.418 -0.453) 13.483 6.210 ( -1.247 13.418 0.453) 13.483 7.467 ( 6.588 6.521 -2.873) 9.705 7.467 ( 6.588 6.521 2.873) 9.705 7.859 ( 5.268 2.588 -3.953) 7.077 7.859 ( 5.268 2.588 3.953) 7.077 7.947 ( -0.144 3.915 -4.308) 5.823 7.947 ( -0.144 3.915 4.308) 5.823 8.217 ( -3.587 -2.165 -4.328) 6.024 8.217 ( -3.587 -2.165 4.328) 6.024 9.022 ( -0.522 -4.530 -2.225) 5.074 9.022 ( -0.522 -4.530 2.225) 5.074 9.147 ( -1.227 2.016 -2.599) 3.510 9.147 ( -1.227 2.016 2.599) 3.510 9.194 ( 1.843 -4.264 -1.132) 4.781 9.194 ( 1.843 -4.264 1.132) 4.781 9.585 ( 3.833 7.535 -2.246) 8.747 9.585 ( 3.833 7.535 2.246) 8.747 10.105 ( -7.182 -3.081 -4.565) 9.051 10.105 ( -7.182 -3.081 4.565) 9.051 10.263 ( -5.623 1.974 -3.702) 7.016 10.263 ( -5.623 1.974 3.702) 7.016 10.809 ( 3.506 5.501 -1.046) 6.606 10.809 ( 3.506 5.501 1.046) 6.606 11.203 ( -1.325 -5.385 -3.145) 6.375 11.203 ( -1.325 -5.385 3.145) 6.375 11.399 ( 3.342 -11.396 -4.536) 12.713 11.399 ( 3.342 -11.396 4.536) 12.713 11.864 ( -8.229 -10.565 -5.931) 14.646 11.864 ( -8.229 -10.565 5.931) 14.646 12.173 ( 6.935 -3.203 -3.510) 8.407 12.173 ( 6.935 -3.203 3.510) 8.407 12.418 ( 2.144 -3.260 -3.727) 5.396 12.418 ( 2.144 -3.260 3.727) 5.396 12.583 ( 0.253 -2.286 -3.758) 4.406 12.583 ( 0.253 -2.286 3.758) 4.406 13.161 ( -8.185 1.640 -5.380) 9.931 13.161 ( -8.185 1.640 5.380) 9.931 15.602 ( 0.803 -4.632 -4.096) 6.235 15.602 ( 0.803 -4.632 4.096) 6.235 15.903 ( -1.127 -8.174 -1.985) 8.487 15.903 ( -1.127 -8.174 1.985) 8.487 16.043 ( 4.047 -7.614 -5.517) 10.236 16.043 ( 4.047 -7.614 5.517) 10.236 16.393 ( -0.660 -0.868 -4.397) 4.530 16.393 ( -0.660 -0.868 4.397) 4.530 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -0.087 8.195 -0.252) 8.200 2.135 ( -0.087 8.195 0.252) 8.200 2.400 ( -1.188 5.146 -1.496) 5.489 2.400 ( -1.188 5.146 1.496) 5.489 2.576 ( 1.370 3.585 -4.138) 5.643 2.576 ( 1.370 3.585 4.138) 5.643 2.728 ( 0.904 0.819 -2.619) 2.889 2.728 ( 0.904 0.819 2.619) 2.889 3.058 ( 4.572 9.044 -1.193) 10.204 3.058 ( 4.572 9.044 1.193) 10.204 3.224 ( -1.808 5.177 -4.713) 7.231 3.224 ( -1.808 5.177 4.713) 7.231 3.300 ( -6.065 1.977 -1.295) 6.509 3.300 ( -6.065 1.977 1.295) 6.509 3.622 ( -2.508 -1.835 -2.073) 3.736 3.622 ( -2.508 -1.835 2.073) 3.736 3.938 ( 5.220 -2.900 -7.619) 9.680 3.938 ( 5.220 -2.900 7.619) 9.680 4.061 ( -0.496 -6.197 -7.576) 9.800 4.061 ( -0.496 -6.197 7.576) 9.800 4.380 ( 0.750 8.463 -1.476) 8.623 4.380 ( 0.750 8.463 1.476) 8.623 4.485 ( -4.000 6.732 -1.840) 8.044 4.485 ( -4.000 6.732 1.840) 8.044 4.777 ( 2.228 2.520 -2.758) 4.350 4.777 ( 2.228 2.520 2.758) 4.350 4.867 ( -0.994 6.127 -3.596) 7.174 4.867 ( -0.994 6.127 3.596) 7.174 5.268 ( 0.591 7.028 -1.580) 7.228 5.268 ( 0.591 7.028 1.580) 7.228 5.291 ( 0.619 13.789 -2.604) 14.047 5.291 ( 0.619 13.789 2.604) 14.047 5.610 ( 2.987 7.089 -0.852) 7.740 5.610 ( 2.987 7.089 0.852) 7.740 5.817 ( -1.322 6.233 -0.341) 6.380 5.817 ( -1.322 6.233 0.341) 6.380 6.060 ( 0.974 16.960 -0.486) 16.995 6.060 ( 0.974 16.960 0.486) 16.995 6.182 ( -1.175 14.523 -0.334) 14.575 6.182 ( -1.175 14.523 0.334) 14.575 7.618 ( 6.668 2.469 -2.889) 7.674 7.618 ( 6.668 2.469 2.889) 7.674 7.875 ( -2.638 0.752 -5.129) 5.817 7.875 ( -2.638 0.752 5.129) 5.817 8.014 ( 4.444 7.114 -2.362) 8.714 8.014 ( 4.444 7.114 2.362) 8.714 8.143 ( -2.831 1.240 -1.413) 3.399 8.143 ( -2.831 1.240 1.413) 3.399 9.022 ( 0.639 -1.890 -1.951) 2.791 9.022 ( 0.639 -1.890 1.951) 2.791 9.078 ( -2.497 0.629 -4.363) 5.066 9.078 ( -2.497 0.629 4.363) 5.066 9.266 ( 1.567 -5.704 -3.698) 6.977 9.266 ( 1.567 -5.704 3.698) 6.977 9.659 ( 3.197 1.017 -1.444) 3.653 9.659 ( 3.197 1.017 1.444) 3.653 9.989 ( -3.120 -5.422 -0.617) 6.286 9.989 ( -3.120 -5.422 0.617) 6.286 10.142 ( -5.001 7.965 -2.622) 9.764 10.142 ( -5.001 7.965 2.622) 9.764 10.851 ( 0.595 10.576 -0.323) 10.598 10.851 ( 0.595 10.576 0.323) 10.598 11.175 ( -0.728 -7.127 -0.974) 7.230 11.175 ( -0.728 -7.127 0.974) 7.230 11.518 ( 7.871 -14.634 -2.022) 16.739 11.518 ( 7.871 -14.634 2.022) 16.739 11.691 ( -8.937 -14.099 -4.014) 17.169 11.691 ( -8.937 -14.099 4.014) 17.169 12.285 ( 3.552 2.303 -3.036) 5.209 12.285 ( 3.552 2.303 3.036) 5.209 12.450 ( 0.525 -2.134 -4.734) 5.219 12.450 ( 0.525 -2.134 4.734) 5.219 12.611 ( 2.341 -0.630 -4.338) 4.970 12.611 ( 2.341 -0.630 4.338) 4.970 12.986 ( -6.955 -2.385 -4.433) 8.586 12.986 ( -6.955 -2.385 4.433) 8.586 15.616 ( 0.407 -5.087 -1.531) 5.328 15.616 ( 0.407 -5.087 1.531) 5.328 15.891 ( -0.257 -11.740 -0.582) 11.757 15.891 ( -0.257 -11.740 0.582) 11.757 16.112 ( 2.218 -1.482 -3.049) 4.051 16.112 ( 2.218 -1.482 3.049) 4.051 16.379 ( -0.574 -2.602 -2.219) 3.468 16.379 ( -0.574 -2.602 2.219) 3.468 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 0.000 4.564 -0.480) 4.589 2.255 ( 0.000 4.564 0.480) 4.589 2.463 ( 0.000 -0.548 -2.333) 2.396 2.463 ( 0.000 -0.548 2.333) 2.396 2.606 ( 0.000 5.032 -0.716) 5.082 2.606 ( 0.000 5.032 0.716) 5.082 2.801 ( 0.000 1.942 -2.363) 3.058 2.801 ( 0.000 1.942 2.363) 3.058 3.211 ( 0.000 7.091 -2.662) 7.574 3.211 ( 0.000 7.091 2.662) 7.574 3.282 ( 0.000 1.941 -7.914) 8.149 3.282 ( 0.000 1.941 7.914) 8.149 3.480 ( 0.000 1.286 -6.840) 6.960 3.480 ( 0.000 1.286 6.840) 6.960 3.570 ( 0.000 -5.874 -3.143) 6.662 3.570 ( 0.000 -5.874 3.143) 6.662 3.744 ( 0.000 -4.746 -0.282) 4.754 3.744 ( 0.000 -4.746 0.282) 4.754 3.872 ( 0.000 -4.984 -0.935) 5.071 3.872 ( 0.000 -4.984 0.935) 5.071 4.527 ( 0.000 2.394 -1.814) 3.004 4.527 ( 0.000 2.394 1.814) 3.004 4.689 ( 0.000 -0.380 -0.567) 0.682 4.689 ( 0.000 -0.380 0.567) 0.682 4.705 ( 0.000 3.209 -0.308) 3.224 4.705 ( 0.000 3.209 0.308) 3.224 5.052 ( 0.000 4.960 -4.295) 6.562 5.052 ( 0.000 4.960 4.295) 6.562 5.160 ( 0.000 -2.139 -3.235) 3.878 5.160 ( 0.000 -2.139 3.235) 3.878 5.588 ( 0.000 10.861 -2.713) 11.195 5.588 ( 0.000 10.861 2.713) 11.195 5.741 ( 0.000 7.855 -0.784) 7.894 5.741 ( 0.000 7.855 0.784) 7.894 5.902 ( 0.000 3.281 -0.560) 3.329 5.902 ( 0.000 3.281 0.560) 3.329 6.335 ( 0.000 11.118 -0.263) 11.121 6.335 ( 0.000 11.118 0.263) 11.121 6.443 ( 0.000 7.837 -0.398) 7.847 6.443 ( 0.000 7.837 0.398) 7.847 7.570 ( 0.000 8.187 -2.673) 8.612 7.570 ( 0.000 8.187 2.673) 8.612 7.808 ( 0.000 -2.823 -4.001) 4.897 7.808 ( 0.000 -2.823 4.001) 4.897 8.037 ( 0.000 5.149 -4.062) 6.559 8.037 ( 0.000 5.149 4.062) 6.559 8.216 ( 0.000 0.022 -2.655) 2.655 8.216 ( 0.000 0.022 2.655) 2.655 8.880 ( 0.000 -8.671 -4.710) 9.868 8.880 ( 0.000 -8.671 4.710) 9.868 8.967 ( 0.000 -2.922 -2.301) 3.720 8.967 ( 0.000 -2.922 2.301) 3.720 9.509 ( 0.000 15.611 -10.000) 18.539 9.509 ( 0.000 15.611 10.000) 18.539 9.687 ( 0.000 7.638 -4.789) 9.015 9.687 ( 0.000 7.638 4.789) 9.015 10.168 ( 0.000 -11.388 -8.397) 14.149 10.168 ( 0.000 -11.388 8.397) 14.149 10.190 ( 0.000 -3.630 -13.291) 13.778 10.190 ( 0.000 -3.630 13.291) 13.778 10.714 ( 0.000 -3.260 -3.778) 4.990 10.714 ( 0.000 -3.260 3.778) 4.990 11.139 ( 0.000 -1.221 -1.238) 1.739 11.139 ( 0.000 -1.221 1.238) 1.739 11.308 ( 0.000 -1.253 -8.640) 8.731 11.308 ( 0.000 -1.253 8.640) 8.731 11.603 ( 0.000 -16.825 -7.183) 18.294 11.603 ( 0.000 -16.825 7.183) 18.294 12.157 ( 0.000 5.191 -1.137) 5.314 12.157 ( 0.000 5.191 1.137) 5.314 12.303 ( 0.000 -3.948 -4.490) 5.979 12.303 ( 0.000 -3.948 4.490) 5.979 12.587 ( 0.000 1.408 -3.226) 3.520 12.587 ( 0.000 1.408 3.226) 3.520 13.289 ( 0.000 0.930 -2.034) 2.236 13.289 ( 0.000 0.930 2.034) 2.236 15.508 ( 0.000 -3.569 -3.804) 5.216 15.508 ( 0.000 -3.569 3.804) 5.216 15.768 ( 0.000 -6.915 -1.480) 7.071 15.768 ( 0.000 -6.915 1.480) 7.071 15.902 ( 0.000 -0.172 -3.246) 3.251 15.902 ( 0.000 -0.172 3.246) 3.251 16.404 ( 0.000 0.365 -2.753) 2.778 16.404 ( 0.000 0.365 2.753) 2.778 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 1.464 5.422 -1.202) 5.743 2.274 ( 1.464 5.422 1.202) 5.743 2.447 ( -0.790 -0.255 -3.787) 3.877 2.447 ( -0.790 -0.255 3.787) 3.877 2.614 ( 0.241 2.631 -2.049) 3.344 2.614 ( 0.241 2.631 2.049) 3.344 2.773 ( -2.558 1.480 -0.777) 3.055 2.773 ( -2.558 1.480 0.777) 3.055 3.205 ( -0.650 6.808 -4.124) 7.987 3.205 ( -0.650 6.808 4.124) 7.987 3.266 ( 0.232 2.724 -6.724) 7.258 3.266 ( 0.232 2.724 6.724) 7.258 3.504 ( -0.001 3.865 -5.340) 6.592 3.504 ( -0.001 3.865 5.340) 6.592 3.612 ( 0.573 -6.206 -7.752) 9.947 3.612 ( 0.573 -6.206 7.752) 9.947 3.691 ( 1.236 -2.803 -2.633) 4.039 3.691 ( 1.236 -2.803 2.633) 4.039 3.916 ( 1.881 -7.279 -3.677) 8.369 3.916 ( 1.881 -7.279 3.677) 8.369 4.496 ( -1.982 2.868 -1.127) 3.664 4.496 ( -1.982 2.868 1.127) 3.664 4.639 ( -3.149 -0.168 -3.497) 4.709 4.639 ( -3.149 -0.168 3.497) 4.709 4.781 ( 4.611 3.504 -1.145) 5.903 4.781 ( 4.611 3.504 1.145) 5.903 5.023 ( -2.070 5.407 -3.424) 6.726 5.023 ( -2.070 5.407 3.424) 6.726 5.196 ( 2.933 -2.426 -1.323) 4.030 5.196 ( 2.933 -2.426 1.323) 4.030 5.530 ( -4.156 6.615 -3.380) 8.512 5.530 ( -4.156 6.615 3.380) 8.512 5.796 ( 3.672 9.902 -2.385) 10.827 5.796 ( 3.672 9.902 2.385) 10.827 5.911 ( 0.770 4.108 -0.766) 4.249 5.911 ( 0.770 4.108 0.766) 4.249 6.346 ( 1.044 11.160 -0.503) 11.220 6.346 ( 1.044 11.160 0.503) 11.220 6.439 ( -0.403 8.165 -0.311) 8.181 6.439 ( -0.403 8.165 0.311) 8.181 7.603 ( 2.896 6.202 -1.951) 7.117 7.603 ( 2.896 6.202 1.951) 7.117 7.821 ( 0.808 -4.012 -4.110) 5.800 7.821 ( 0.808 -4.012 4.110) 5.800 8.089 ( 4.997 6.836 -3.305) 9.090 8.089 ( 4.997 6.836 3.305) 9.090 8.223 ( 0.813 2.821 -2.564) 3.898 8.223 ( 0.813 2.821 2.564) 3.898 8.904 ( 1.859 -7.597 -3.464) 8.554 8.904 ( 1.859 -7.597 3.464) 8.554 9.001 ( 3.466 -5.216 -2.971) 6.932 9.001 ( 3.466 -5.216 2.971) 6.932 9.365 ( -9.966 11.463 -6.427) 16.494 9.365 ( -9.966 11.463 6.427) 16.494 9.734 ( -1.509 5.058 -3.554) 6.363 9.734 ( -1.509 5.058 3.554) 6.363 9.987 ( -5.978 -4.992 -2.568) 8.201 9.987 ( -5.978 -4.992 2.568) 8.201 10.303 ( 2.521 -0.694 -4.743) 5.416 10.303 ( 2.521 -0.694 4.743) 5.416 10.776 ( 5.795 -6.456 -3.333) 9.294 10.776 ( 5.795 -6.456 3.333) 9.294 11.136 ( -0.944 0.428 -0.557) 1.177 11.136 ( -0.944 0.428 0.557) 1.177 11.255 ( -3.702 -4.345 -4.700) 7.394 11.255 ( -3.702 -4.345 4.700) 7.394 11.540 ( -5.526 -14.747 -6.636) 17.089 11.540 ( -5.526 -14.747 6.636) 17.089 12.234 ( 6.280 4.016 -2.912) 8.003 12.234 ( 6.280 4.016 2.912) 8.003 12.361 ( 5.596 -2.203 -2.907) 6.680 12.361 ( 5.596 -2.203 2.907) 6.680 12.572 ( -1.095 0.636 -2.592) 2.884 12.572 ( -1.095 0.636 2.592) 2.884 13.180 ( -10.143 0.348 -3.410) 10.707 13.180 ( -10.143 0.348 3.410) 10.707 15.512 ( 0.644 -3.506 -2.987) 4.651 15.512 ( 0.644 -3.506 2.987) 4.651 15.734 ( -2.705 -6.583 -0.756) 7.157 15.734 ( -2.705 -6.583 0.756) 7.157 15.988 ( 7.173 -0.035 -3.580) 8.017 15.988 ( 7.173 -0.035 3.580) 8.017 16.388 ( -1.710 -0.029 -2.698) 3.194 16.388 ( -1.710 -0.029 2.698) 3.194 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 0.011 6.914 -0.749) 6.955 2.289 ( 0.011 6.914 0.749) 6.955 2.458 ( 1.334 0.368 -2.812) 3.134 2.458 ( 1.334 0.368 2.812) 3.134 2.615 ( 0.299 0.483 -4.563) 4.598 2.615 ( 0.299 0.483 4.563) 4.598 2.709 ( -3.097 -1.663 -1.944) 4.017 2.709 ( -3.097 -1.663 1.944) 4.017 3.225 ( 2.866 5.674 -2.074) 6.687 3.225 ( 2.866 5.674 2.074) 6.687 3.273 ( -0.618 2.465 -4.208) 4.916 3.273 ( -0.618 2.465 4.208) 4.916 3.444 ( -3.879 8.770 -4.086) 10.424 3.444 ( -3.879 8.770 4.086) 10.424 3.602 ( 0.381 0.838 -2.035) 2.233 3.602 ( 0.381 0.838 2.035) 2.233 3.809 ( 6.426 -7.705 -7.303) 12.410 3.809 ( 6.426 -7.705 7.303) 12.410 3.909 ( -2.618 -8.318 -7.572) 11.548 3.909 ( -2.618 -8.318 7.572) 11.548 4.480 ( 0.626 2.488 -2.380) 3.499 4.480 ( 0.626 2.488 2.380) 3.499 4.565 ( -3.579 0.578 -3.269) 4.882 4.565 ( -3.579 0.578 3.269) 4.882 4.864 ( 3.244 5.006 -1.462) 6.142 4.864 ( 3.244 5.006 1.462) 6.142 4.981 ( -2.020 4.216 -1.827) 5.019 4.981 ( -2.020 4.216 1.827) 5.019 5.262 ( 2.918 -0.327 -0.945) 3.084 5.262 ( 2.918 -0.327 0.945) 3.084 5.454 ( -2.950 1.143 -1.987) 3.735 5.454 ( -2.950 1.143 1.987) 3.735 5.852 ( 1.586 10.718 -1.030) 10.883 5.852 ( 1.586 10.718 1.030) 10.883 5.925 ( 0.409 5.301 -0.462) 5.337 5.925 ( 0.409 5.301 0.462) 5.337 6.371 ( 1.114 11.302 -0.425) 11.365 6.371 ( 1.114 11.302 0.425) 11.365 6.426 ( -0.738 8.605 -0.214) 8.640 6.426 ( -0.738 8.605 0.214) 8.640 7.659 ( 1.979 2.089 -1.078) 3.072 7.659 ( 1.979 2.089 1.078) 3.072 7.827 ( -0.116 -4.597 -2.119) 5.063 7.827 ( -0.116 -4.597 2.119) 5.063 8.200 ( 4.553 9.326 -0.579) 10.394 8.200 ( 4.553 9.326 0.579) 10.394 8.244 ( 0.637 7.628 -1.240) 7.754 8.244 ( 0.637 7.628 1.240) 7.754 8.956 ( 3.939 -4.653 -2.718) 6.675 8.956 ( 3.939 -4.653 2.718) 6.675 9.049 ( -1.883 -5.200 -3.333) 6.457 9.049 ( -1.883 -5.200 3.333) 6.457 9.211 ( -2.807 3.801 -3.431) 5.840 9.211 ( -2.807 3.801 3.431) 5.840 9.594 ( -7.141 -9.066 -3.359) 12.019 9.594 ( -7.141 -9.066 3.359) 12.019 9.981 ( 1.666 7.395 -1.630) 7.753 9.981 ( 1.666 7.395 1.630) 7.753 10.309 ( -0.702 5.934 -2.295) 6.401 10.309 ( -0.702 5.934 2.295) 6.401 10.903 ( 5.380 -10.645 -2.310) 12.149 10.903 ( 5.380 -10.645 2.310) 12.149 11.079 ( -3.587 6.369 -1.705) 7.506 11.079 ( -3.587 6.369 1.705) 7.506 11.228 ( 0.592 -14.385 -1.387) 14.464 11.228 ( 0.592 -14.385 1.387) 14.464 11.424 ( -4.651 -9.785 -3.386) 11.351 11.424 ( -4.651 -9.785 3.386) 11.351 12.352 ( 4.761 2.572 -3.515) 6.452 12.352 ( 4.761 2.572 3.515) 6.452 12.445 ( -0.417 1.039 -2.543) 2.778 12.445 ( -0.417 1.039 2.543) 2.778 12.617 ( 7.582 0.841 -2.873) 8.151 12.617 ( 7.582 0.841 2.873) 8.151 12.938 ( -11.968 -2.129 -3.977) 12.790 12.938 ( -11.968 -2.129 3.977) 12.790 15.533 ( 1.078 -2.436 -1.383) 3.002 15.533 ( 1.078 -2.436 1.383) 3.002 15.681 ( -1.995 -8.000 -0.493) 8.259 15.681 ( -1.995 -8.000 0.493) 8.259 16.133 ( 5.861 2.346 -2.418) 6.760 16.133 ( 5.861 2.346 2.418) 6.760 16.336 ( -2.978 -1.877 -2.013) 4.055 16.336 ( -2.978 -1.877 2.013) 4.055 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 0.000 0.000 -0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 -0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 -0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 -0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 -0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 -0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 -0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 -0.000) 0.000 3.808 ( 0.000 0.000 -0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 -0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 -0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 -0.000 -0.000) 0.000 5.103 ( 0.000 -0.000 0.000) 0.000 5.144 ( 0.000 0.000 -0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 -0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.813 ( 0.000 0.000 -0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 -0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 -0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 -0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 -0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.737 ( 0.000 -0.000 -0.000) 0.000 7.737 ( 0.000 -0.000 0.000) 0.000 8.098 ( 0.000 0.000 -0.000) 0.000 8.098 ( 0.000 0.000 0.000) 0.000 8.226 ( 0.000 0.000 -0.000) 0.000 8.226 ( 0.000 0.000 0.000) 0.000 8.781 ( 0.000 0.000 -0.000) 0.000 8.781 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 -0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 -0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 -0.000 -0.000) 0.000 9.869 ( 0.000 -0.000 0.000) 0.000 9.880 ( 0.000 0.000 -0.000) 0.000 9.880 ( 0.000 0.000 0.000) 0.000 10.118 ( 0.000 0.000 -0.000) 0.000 10.118 ( 0.000 0.000 0.000) 0.000 10.694 ( 0.000 0.000 -0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 11.100 ( 0.000 0.000 -0.000) 0.000 11.100 ( 0.000 0.000 0.000) 0.000 11.343 ( 0.000 0.000 -0.000) 0.000 11.343 ( 0.000 0.000 -0.000) 0.000 11.394 ( 0.000 0.000 -0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 12.234 ( 0.000 -0.000 -0.000) 0.000 12.234 ( 0.000 -0.000 0.000) 0.000 12.236 ( 0.000 0.001 -0.000) 0.001 12.236 ( 0.000 0.001 0.000) 0.001 12.606 ( 0.000 0.000 -0.000) 0.000 12.606 ( 0.000 0.000 0.000) 0.000 13.297 ( 0.000 0.000 -0.000) 0.000 13.297 ( 0.000 0.000 0.000) 0.000 15.468 ( 0.000 0.000 -0.000) 0.000 15.468 ( 0.000 0.000 0.000) 0.000 15.698 ( 0.000 0.000 -0.000) 0.000 15.698 ( 0.000 0.000 0.000) 0.000 15.904 ( 0.000 0.000 -0.000) 0.000 15.904 ( 0.000 0.000 0.000) 0.000 16.408 ( 0.000 0.000 -0.000) 0.000 16.408 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 3.102 0.000 -0.000) 3.102 2.341 ( 3.102 0.000 0.000) 3.102 2.432 ( -1.145 0.000 -0.000) 1.145 2.432 ( -1.145 0.000 0.000) 1.145 2.643 ( -2.630 0.000 -0.000) 2.630 2.643 ( -2.630 0.000 0.000) 2.630 2.782 ( -2.770 0.000 -0.000) 2.770 2.782 ( -2.770 0.000 0.000) 2.770 3.260 ( -0.283 0.000 0.000) 0.283 3.260 ( -0.283 0.000 0.000) 0.283 3.340 ( -0.369 0.000 -0.000) 0.369 3.340 ( -0.369 0.000 0.000) 0.369 3.485 ( 3.308 0.000 -0.000) 3.308 3.485 ( 3.308 0.000 0.000) 3.308 3.575 ( 2.497 0.000 -0.000) 2.497 3.575 ( 2.497 0.000 0.000) 2.497 3.707 ( 2.040 0.000 -0.000) 2.040 3.707 ( 2.040 0.000 0.000) 2.040 3.795 ( -1.375 0.000 -0.000) 1.375 3.795 ( -1.375 0.000 0.000) 1.375 4.544 ( -2.353 0.000 -0.000) 2.353 4.544 ( -2.353 0.000 0.000) 2.353 4.604 ( -2.180 0.000 -0.000) 2.180 4.604 ( -2.180 0.000 0.000) 2.180 4.825 ( 4.868 0.000 -0.000) 4.868 4.825 ( 4.868 0.000 0.000) 4.868 5.081 ( -2.217 0.000 -0.000) 2.217 5.081 ( -2.217 0.000 0.000) 2.217 5.178 ( 3.585 0.000 -0.000) 3.585 5.178 ( 3.585 0.000 0.000) 3.585 5.581 ( -7.318 0.000 -0.000) 7.318 5.581 ( -7.318 0.000 0.000) 7.318 5.897 ( 4.889 0.000 -0.000) 4.889 5.897 ( 4.889 0.000 0.000) 4.889 5.970 ( 1.052 0.000 -0.000) 1.052 5.970 ( 1.052 0.000 0.000) 1.052 6.463 ( 1.063 0.000 -0.000) 1.063 6.463 ( 1.063 0.000 0.000) 1.063 6.525 ( -0.119 0.000 -0.000) 0.119 6.525 ( -0.119 0.000 0.000) 0.119 7.696 ( 0.374 0.000 -0.000) 0.374 7.696 ( 0.374 0.000 0.000) 0.374 7.746 ( 0.413 0.000 -0.000) 0.413 7.746 ( 0.413 0.000 0.000) 0.413 8.167 ( 6.725 0.000 -0.000) 6.725 8.167 ( 6.725 0.000 0.000) 6.725 8.272 ( 4.038 0.000 -0.000) 4.038 8.272 ( 4.038 0.000 0.000) 4.038 8.800 ( 2.057 0.000 -0.000) 2.057 8.800 ( 2.057 0.000 0.000) 2.057 8.953 ( 1.673 0.000 -0.000) 1.673 8.953 ( 1.673 0.000 0.000) 1.673 9.570 ( -11.589 0.000 -0.000) 11.589 9.570 ( -11.589 0.000 0.000) 11.589 9.672 ( -15.637 0.000 -0.000) 15.637 9.672 ( -15.637 0.000 0.000) 15.637 10.037 ( 9.347 0.000 -0.000) 9.347 10.037 ( 9.347 0.000 0.000) 9.347 10.212 ( 4.876 0.000 -0.000) 4.876 10.212 ( 4.876 0.000 0.000) 4.876 10.728 ( 3.403 0.000 -0.000) 3.403 10.728 ( 3.403 0.000 0.000) 3.403 11.081 ( -2.334 0.000 -0.000) 2.334 11.081 ( -2.334 0.000 0.000) 2.334 11.294 ( -3.977 0.000 -0.000) 3.977 11.294 ( -3.977 0.000 0.000) 3.977 11.345 ( -4.062 0.000 -0.000) 4.062 11.345 ( -4.062 0.000 0.000) 4.062 12.279 ( 3.970 0.000 -0.000) 3.970 12.279 ( 3.970 0.000 0.000) 3.970 12.335 ( 9.051 0.000 -0.000) 9.051 12.335 ( 9.051 0.000 0.000) 9.051 12.583 ( -1.982 0.000 -0.000) 1.982 12.583 ( -1.982 0.000 0.000) 1.982 13.182 ( -10.753 0.000 -0.000) 10.753 13.182 ( -10.753 0.000 0.000) 10.753 15.475 ( 0.986 0.000 -0.000) 0.986 15.475 ( 0.986 0.000 0.000) 0.986 15.666 ( -3.053 0.000 -0.000) 3.053 15.666 ( -3.053 0.000 0.000) 3.053 15.992 ( 7.796 0.000 -0.000) 7.796 15.992 ( 7.796 0.000 0.000) 7.796 16.387 ( -2.214 0.000 -0.000) 2.214 16.387 ( -2.214 0.000 0.000) 2.214 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 2.181 -0.000 -0.000) 2.181 2.405 ( 2.181 -0.000 0.000) 2.181 2.419 ( -0.150 0.000 -0.000) 0.150 2.419 ( -0.150 0.000 0.000) 0.150 2.612 ( 0.981 0.000 -0.000) 0.981 2.612 ( 0.981 0.000 0.000) 0.981 2.691 ( -5.560 0.000 -0.000) 5.560 2.691 ( -5.560 0.000 0.000) 5.560 3.273 ( 1.703 0.000 -0.000) 1.703 3.273 ( 1.703 0.000 0.000) 1.703 3.315 ( -2.058 0.000 -0.000) 2.058 3.315 ( -2.058 0.000 0.000) 2.058 3.580 ( 4.964 0.000 -0.000) 4.964 3.580 ( 4.964 0.000 0.000) 4.964 3.624 ( 1.147 -0.000 -0.000) 1.147 3.624 ( 1.147 -0.000 0.000) 1.147 3.733 ( 0.629 0.000 -0.000) 0.629 3.733 ( 0.629 0.000 0.000) 0.629 3.756 ( -2.073 0.000 -0.000) 2.073 3.756 ( -2.073 0.000 0.000) 2.073 4.515 ( -0.027 0.000 -0.000) 0.027 4.515 ( -0.027 0.000 0.000) 0.027 4.548 ( -2.875 0.000 -0.000) 2.875 4.548 ( -2.875 0.000 0.000) 2.875 4.926 ( 4.974 0.000 -0.000) 4.974 4.926 ( 4.974 0.000 0.000) 4.974 5.017 ( -4.031 0.000 -0.000) 4.031 5.017 ( -4.031 0.000 0.000) 4.031 5.286 ( 6.863 0.000 -0.000) 6.863 5.286 ( 6.863 0.000 0.000) 6.863 5.432 ( -7.464 0.000 -0.000) 7.464 5.432 ( -7.464 0.000 0.000) 7.464 5.969 ( 2.175 0.000 -0.000) 2.175 5.969 ( 2.175 0.000 0.000) 2.175 5.986 ( 0.245 0.000 -0.000) 0.245 5.986 ( 0.245 0.000 0.000) 0.245 6.489 ( 1.480 0.000 -0.000) 1.480 6.489 ( 1.480 0.000 0.000) 1.480 6.515 ( -0.922 0.000 -0.000) 0.922 6.515 ( -0.922 0.000 0.000) 0.922 7.713 ( 1.285 0.000 -0.000) 1.285 7.713 ( 1.285 0.000 0.000) 1.285 7.739 ( -1.066 0.000 -0.000) 1.066 7.739 ( -1.066 0.000 0.000) 1.066 8.317 ( 5.989 0.000 -0.000) 5.989 8.317 ( 5.989 0.000 0.000) 5.989 8.349 ( 2.383 0.000 0.000) 2.383 8.349 ( 2.383 0.000 0.000) 2.383 8.879 ( 6.243 0.000 -0.000) 6.243 8.879 ( 6.243 0.000 0.000) 6.243 8.979 ( -0.815 0.000 -0.000) 0.815 8.979 ( -0.815 0.000 0.000) 0.815 9.367 ( -7.389 0.000 -0.000) 7.389 9.367 ( -7.389 0.000 0.000) 7.389 9.377 ( -10.396 -0.000 -0.000) 10.396 9.377 ( -10.396 -0.000 0.000) 10.396 10.192 ( 5.831 0.000 -0.000) 5.831 10.192 ( 5.831 0.000 0.000) 5.831 10.257 ( -0.511 0.000 -0.000) 0.511 10.257 ( -0.511 0.000 0.000) 0.511 10.832 ( 6.951 0.000 -0.000) 6.951 10.832 ( 6.951 0.000 0.000) 6.951 10.984 ( -7.263 0.000 0.000) 7.263 10.984 ( -7.263 0.000 0.000) 7.263 11.240 ( -0.575 -0.000 -0.000) 0.575 11.240 ( -0.575 -0.000 0.000) 0.575 11.268 ( -3.054 0.000 -0.000) 3.054 11.268 ( -3.054 0.000 0.000) 3.054 12.376 ( 5.201 0.000 -0.000) 5.201 12.376 ( 5.201 0.000 0.000) 5.201 12.462 ( -1.710 0.000 -0.000) 1.710 12.462 ( -1.710 0.000 0.000) 1.710 12.629 ( 11.385 0.000 -0.000) 11.385 12.629 ( 11.385 0.000 0.000) 11.385 12.913 ( -15.013 0.000 -0.000) 15.013 12.913 ( -15.013 0.000 0.000) 15.013 15.516 ( 3.077 0.000 -0.000) 3.077 15.516 ( 3.077 0.000 0.000) 3.077 15.590 ( -4.105 0.000 -0.000) 4.105 15.590 ( -4.105 0.000 0.000) 4.105 16.166 ( 8.637 0.000 -0.000) 8.637 16.166 ( 8.637 0.000 0.000) 8.637 16.311 ( -5.587 0.000 -0.000) 5.587 16.311 ( -5.587 0.000 0.000) 5.587 =================== 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 3/23520 10.0 927.605 700.544 571.578 0.000 0.000 0.000 3/23520 20.0 133.613 201.878 157.529 0.000 0.000 0.000 3/23520 30.0 47.405 91.220 57.840 0.000 0.000 0.000 3/23520 40.0 25.008 55.818 30.186 0.000 0.000 -0.000 3/23520 50.0 16.104 39.776 19.345 0.000 0.000 -0.000 3/23520 60.0 11.585 30.586 13.916 0.000 0.000 -0.000 3/23520 70.0 8.924 24.607 10.736 0.000 0.000 -0.000 3/23520 80.0 7.201 20.433 8.675 0.000 0.000 -0.000 3/23520 90.0 6.011 17.383 7.246 0.000 0.000 -0.000 3/23520 100.0 5.148 15.078 6.205 0.000 0.000 -0.000 3/23520 110.0 4.498 13.289 5.417 0.000 0.000 -0.000 3/23520 120.0 3.993 11.868 4.804 0.000 0.000 -0.000 3/23520 130.0 3.592 10.717 4.314 0.000 0.000 -0.000 3/23520 140.0 3.265 9.768 3.914 0.000 0.000 -0.000 3/23520 150.0 2.994 8.975 3.583 0.000 0.000 -0.000 3/23520 160.0 2.766 8.302 3.305 0.000 0.000 -0.000 3/23520 170.0 2.572 7.725 3.067 0.000 0.000 -0.000 3/23520 180.0 2.404 7.225 2.862 0.000 0.000 -0.000 3/23520 190.0 2.257 6.788 2.683 0.000 0.000 -0.000 3/23520 200.0 2.128 6.402 2.526 0.000 0.000 -0.000 3/23520 210.0 2.014 6.059 2.387 0.000 0.000 -0.000 3/23520 220.0 1.912 5.752 2.262 0.000 0.000 -0.000 3/23520 230.0 1.820 5.475 2.151 0.000 0.000 -0.000 3/23520 240.0 1.736 5.225 2.050 0.000 0.000 -0.000 3/23520 250.0 1.661 4.998 1.958 0.000 0.000 -0.000 3/23520 260.0 1.591 4.790 1.875 0.000 0.000 -0.000 3/23520 270.0 1.528 4.599 1.799 0.000 0.000 -0.000 3/23520 280.0 1.470 4.423 1.728 0.000 0.000 -0.000 3/23520 290.0 1.416 4.261 1.664 0.000 0.000 -0.000 3/23520 300.0 1.366 4.110 1.604 0.000 0.000 -0.000 3/23520 310.0 1.319 3.970 1.548 0.000 0.000 -0.000 3/23520 320.0 1.276 3.840 1.496 0.000 0.000 -0.000 3/23520 330.0 1.235 3.718 1.448 0.000 0.000 -0.000 3/23520 340.0 1.197 3.604 1.402 0.000 0.000 -0.000 3/23520 350.0 1.161 3.496 1.360 0.000 0.000 -0.000 3/23520 360.0 1.128 3.395 1.320 0.000 0.000 -0.000 3/23520 370.0 1.096 3.300 1.282 0.000 0.000 -0.000 3/23520 380.0 1.066 3.210 1.247 0.000 0.000 -0.000 3/23520 390.0 1.038 3.125 1.213 0.000 0.000 -0.000 3/23520 400.0 1.011 3.045 1.182 0.000 0.000 -0.000 3/23520 410.0 0.986 2.968 1.152 0.000 0.000 -0.000 3/23520 420.0 0.962 2.896 1.123 0.000 0.000 -0.000 3/23520 430.0 0.939 2.826 1.096 0.000 0.000 -0.000 3/23520 440.0 0.917 2.761 1.070 0.000 0.000 -0.000 3/23520 450.0 0.896 2.698 1.045 0.000 0.000 -0.000 3/23520 460.0 0.876 2.638 1.022 0.000 0.000 -0.000 3/23520 470.0 0.857 2.581 0.999 0.000 0.000 -0.000 3/23520 480.0 0.839 2.526 0.978 0.000 0.000 -0.000 3/23520 490.0 0.821 2.473 0.957 0.000 0.000 -0.000 3/23520 500.0 0.805 2.423 0.938 0.000 0.000 -0.000 3/23520 510.0 0.789 2.375 0.919 0.000 0.000 -0.000 3/23520 520.0 0.773 2.328 0.901 0.000 0.000 -0.000 3/23520 530.0 0.758 2.284 0.883 0.000 0.000 -0.000 3/23520 540.0 0.744 2.241 0.866 0.000 0.000 -0.000 3/23520 550.0 0.730 2.199 0.850 0.000 0.000 -0.000 3/23520 560.0 0.717 2.159 0.835 0.000 0.000 -0.000 3/23520 570.0 0.704 2.121 0.820 0.000 0.000 -0.000 3/23520 580.0 0.692 2.084 0.805 0.000 0.000 -0.000 3/23520 590.0 0.680 2.048 0.791 0.000 0.000 -0.000 3/23520 600.0 0.669 2.014 0.778 0.000 0.000 -0.000 3/23520 610.0 0.657 1.980 0.765 0.000 0.000 -0.000 3/23520 620.0 0.647 1.948 0.752 0.000 0.000 -0.000 3/23520 630.0 0.636 1.917 0.740 0.000 0.000 -0.000 3/23520 640.0 0.626 1.887 0.728 0.000 0.000 -0.000 3/23520 650.0 0.617 1.857 0.717 0.000 0.000 -0.000 3/23520 660.0 0.607 1.829 0.706 0.000 0.000 -0.000 3/23520 670.0 0.598 1.801 0.695 0.000 0.000 -0.000 3/23520 680.0 0.589 1.775 0.685 0.000 0.000 -0.000 3/23520 690.0 0.580 1.749 0.675 0.000 0.000 -0.000 3/23520 700.0 0.572 1.724 0.665 0.000 0.000 -0.000 3/23520 710.0 0.564 1.699 0.656 0.000 0.000 -0.000 3/23520 720.0 0.556 1.675 0.646 0.000 0.000 -0.000 3/23520 730.0 0.548 1.652 0.637 0.000 0.000 -0.000 3/23520 740.0 0.541 1.630 0.629 0.000 0.000 -0.000 3/23520 750.0 0.534 1.608 0.620 0.000 0.000 -0.000 3/23520 760.0 0.527 1.587 0.612 0.000 0.000 -0.000 3/23520 770.0 0.520 1.566 0.604 0.000 0.000 -0.000 3/23520 780.0 0.513 1.546 0.596 0.000 0.000 -0.000 3/23520 790.0 0.506 1.526 0.588 0.000 0.000 -0.000 3/23520 800.0 0.500 1.507 0.581 0.000 0.000 -0.000 3/23520 810.0 0.494 1.488 0.574 0.000 0.000 -0.000 3/23520 820.0 0.488 1.470 0.567 0.000 0.000 -0.000 3/23520 830.0 0.482 1.452 0.560 0.000 0.000 -0.000 3/23520 840.0 0.476 1.435 0.553 0.000 0.000 -0.000 3/23520 850.0 0.470 1.418 0.546 0.000 0.000 -0.000 3/23520 860.0 0.465 1.401 0.540 0.000 0.000 -0.000 3/23520 870.0 0.460 1.385 0.534 0.000 0.000 -0.000 3/23520 880.0 0.454 1.369 0.528 0.000 0.000 -0.000 3/23520 890.0 0.449 1.354 0.522 0.000 0.000 -0.000 3/23520 900.0 0.444 1.339 0.516 0.000 0.000 -0.000 3/23520 910.0 0.439 1.324 0.510 0.000 0.000 -0.000 3/23520 920.0 0.435 1.309 0.504 0.000 0.000 -0.000 3/23520 930.0 0.430 1.295 0.499 0.000 0.000 -0.000 3/23520 940.0 0.425 1.282 0.494 0.000 0.000 -0.000 3/23520 950.0 0.421 1.268 0.488 0.000 0.000 -0.000 3/23520 960.0 0.416 1.255 0.483 0.000 0.000 -0.000 3/23520 970.0 0.412 1.242 0.478 0.000 0.000 -0.000 3/23520 980.0 0.408 1.229 0.473 0.000 0.000 -0.000 3/23520 990.0 0.404 1.217 0.469 0.000 0.000 -0.000 3/23520 1000.0 0.400 1.204 0.464 0.000 0.000 -0.000 3/23520 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:31:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|