----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:26:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.875399965000000 2.662499550000000 13.184207794999999 b 1.875399965000000 -2.662499550000000 13.184207794999999 c 1.875399965000000 2.662499550000000 -13.184207794999999 Atomic positions (fractional): *1 Ba 0.85468875195362 0.35468875195362 0.50000000000000 137.327 2 Ba 0.14531124804638 0.64531124804638 0.50000000000000 137.327 *3 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 *4 Sr 0.28518161871856 0.78518161871856 0.50000000000000 87.620 5 Sr 0.71481838128144 0.21481838128144 0.50000000000000 87.620 *6 Sr 0.42821530624756 0.92821530624756 0.50000000000000 87.620 7 Sr 0.57178469375244 0.07178469375244 0.50000000000000 87.620 *8 O 0.64007469404745 0.64007469404745 0.00000000000000 15.999 9 O 0.35992530595255 0.35992530595255 0.00000000000000 15.999 *10 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 *11 O 0.22245765580554 0.22245765580554 0.00000000000000 15.999 12 O 0.77754234419446 0.77754234419446 0.00000000000000 15.999 *13 O 0.07365101691179 0.07365101691179 0.00000000000000 15.999 14 O 0.92634898308821 0.92634898308821 0.00000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.750799930000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.324999100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.368415589999998 Atomic positions (fractional): *1 Ba 0.00000000000000 0.50000000000000 0.35468875195362 137.327 > 1 2 Ba 0.50000000000000 0.00000000000000 0.14531124804638 137.327 > 2 *3 Ba 0.50000000000000 0.00000000000000 0.00000000000000 137.327 > 3 4 Ba 0.50000000000000 0.00000000000000 0.85468875195362 137.327 > 1 5 Ba 0.00000000000000 0.50000000000000 0.64531124804638 137.327 > 2 6 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 > 3 *7 Sr 0.50000000000000 0.00000000000000 0.28518161871856 87.620 > 4 8 Sr 0.00000000000000 0.50000000000000 0.21481838128144 87.620 > 5 *9 Sr 0.50000000000000 0.00000000000000 0.42821530624756 87.620 > 6 10 Sr 0.00000000000000 0.50000000000000 0.07178469375244 87.620 > 7 11 Sr 0.00000000000000 0.50000000000000 0.78518161871856 87.620 > 4 12 Sr 0.50000000000000 0.00000000000000 0.71481838128144 87.620 > 5 13 Sr 0.00000000000000 0.50000000000000 0.92821530624756 87.620 > 6 14 Sr 0.50000000000000 0.00000000000000 0.57178469375244 87.620 > 7 *15 O 0.50000000000000 0.50000000000000 0.14007469404745 15.999 > 8 16 O 0.00000000000000 0.00000000000000 0.35992530595255 15.999 > 9 *17 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 10 *18 O 0.00000000000000 0.00000000000000 0.22245765580554 15.999 > 11 19 O 0.50000000000000 0.50000000000000 0.27754234419446 15.999 > 12 *20 O 0.00000000000000 0.00000000000000 0.07365101691179 15.999 > 13 21 O 0.50000000000000 0.50000000000000 0.42634898308821 15.999 > 14 22 O 0.00000000000000 0.00000000000000 0.64007469404745 15.999 > 8 23 O 0.50000000000000 0.50000000000000 0.85992530595255 15.999 > 9 24 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 10 25 O 0.50000000000000 0.50000000000000 0.72245765580554 15.999 > 11 26 O 0.00000000000000 0.00000000000000 0.77754234419446 15.999 > 12 27 O 0.50000000000000 0.50000000000000 0.57365101691179 15.999 > 13 28 O 0.00000000000000 0.00000000000000 0.92634898308821 15.999 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.501599860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.649998200000001 0.000000000000000 c 0.000000000000000 0.000000000000000 26.368415589999998 Atomic positions (fractional): *1 Ba 0.00000000000000 0.25000000000000 0.35468875195362 137.327 > 1 2 Ba 0.50000000000000 0.25000000000000 0.35468875195362 137.327 > 1 3 Ba 0.00000000000000 0.75000000000000 0.35468875195362 137.327 > 1 4 Ba 0.50000000000000 0.75000000000000 0.35468875195362 137.327 > 1 5 Ba 0.25000000000000 0.00000000000000 0.14531124804638 137.327 > 2 6 Ba 0.75000000000000 0.00000000000000 0.14531124804638 137.327 > 2 7 Ba 0.25000000000000 0.50000000000000 0.14531124804638 137.327 > 2 8 Ba 0.75000000000000 0.50000000000000 0.14531124804638 137.327 > 2 *9 Ba 0.25000000000000 0.00000000000000 0.00000000000000 137.327 > 3 10 Ba 0.75000000000000 0.00000000000000 0.00000000000000 137.327 > 3 11 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 3 12 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 3 13 Ba 0.25000000000000 0.00000000000000 0.85468875195362 137.327 > 1 14 Ba 0.75000000000000 0.00000000000000 0.85468875195362 137.327 > 1 15 Ba 0.25000000000000 0.50000000000000 0.85468875195362 137.327 > 1 16 Ba 0.75000000000000 0.50000000000000 0.85468875195362 137.327 > 1 17 Ba 0.00000000000000 0.25000000000000 0.64531124804638 137.327 > 2 18 Ba 0.50000000000000 0.25000000000000 0.64531124804638 137.327 > 2 19 Ba 0.00000000000000 0.75000000000000 0.64531124804638 137.327 > 2 20 Ba 0.50000000000000 0.75000000000000 0.64531124804638 137.327 > 2 21 Ba 0.00000000000000 0.25000000000000 0.50000000000000 137.327 > 3 22 Ba 0.50000000000000 0.25000000000000 0.50000000000000 137.327 > 3 23 Ba 0.00000000000000 0.75000000000000 0.50000000000000 137.327 > 3 24 Ba 0.50000000000000 0.75000000000000 0.50000000000000 137.327 > 3 *25 Sr 0.25000000000000 0.00000000000000 0.28518161871856 87.620 > 4 26 Sr 0.75000000000000 0.00000000000000 0.28518161871856 87.620 > 4 27 Sr 0.25000000000000 0.50000000000000 0.28518161871856 87.620 > 4 28 Sr 0.75000000000000 0.50000000000000 0.28518161871856 87.620 > 4 29 Sr 0.00000000000000 0.25000000000000 0.21481838128144 87.620 > 5 30 Sr 0.50000000000000 0.25000000000000 0.21481838128144 87.620 > 5 31 Sr 0.00000000000000 0.75000000000000 0.21481838128144 87.620 > 5 32 Sr 0.50000000000000 0.75000000000000 0.21481838128144 87.620 > 5 *33 Sr 0.25000000000000 0.00000000000000 0.42821530624756 87.620 > 6 34 Sr 0.75000000000000 0.00000000000000 0.42821530624756 87.620 > 6 35 Sr 0.25000000000000 0.50000000000000 0.42821530624756 87.620 > 6 36 Sr 0.75000000000000 0.50000000000000 0.42821530624756 87.620 > 6 37 Sr 0.00000000000000 0.25000000000000 0.07178469375244 87.620 > 7 38 Sr 0.50000000000000 0.25000000000000 0.07178469375244 87.620 > 7 39 Sr 0.00000000000000 0.75000000000000 0.07178469375244 87.620 > 7 40 Sr 0.50000000000000 0.75000000000000 0.07178469375244 87.620 > 7 41 Sr 0.00000000000000 0.25000000000000 0.78518161871856 87.620 > 4 42 Sr 0.50000000000000 0.25000000000000 0.78518161871856 87.620 > 4 43 Sr 0.00000000000000 0.75000000000000 0.78518161871856 87.620 > 4 44 Sr 0.50000000000000 0.75000000000000 0.78518161871856 87.620 > 4 45 Sr 0.25000000000000 0.00000000000000 0.71481838128144 87.620 > 5 46 Sr 0.75000000000000 0.00000000000000 0.71481838128144 87.620 > 5 47 Sr 0.25000000000000 0.50000000000000 0.71481838128144 87.620 > 5 48 Sr 0.75000000000000 0.50000000000000 0.71481838128144 87.620 > 5 49 Sr 0.00000000000000 0.25000000000000 0.92821530624756 87.620 > 6 50 Sr 0.50000000000000 0.25000000000000 0.92821530624756 87.620 > 6 51 Sr 0.00000000000000 0.75000000000000 0.92821530624756 87.620 > 6 52 Sr 0.50000000000000 0.75000000000000 0.92821530624756 87.620 > 6 53 Sr 0.25000000000000 0.00000000000000 0.57178469375244 87.620 > 7 54 Sr 0.75000000000000 0.00000000000000 0.57178469375244 87.620 > 7 55 Sr 0.25000000000000 0.50000000000000 0.57178469375244 87.620 > 7 56 Sr 0.75000000000000 0.50000000000000 0.57178469375244 87.620 > 7 *57 O 0.25000000000000 0.25000000000000 0.14007469404745 15.999 > 8 58 O 0.75000000000000 0.25000000000000 0.14007469404745 15.999 > 8 59 O 0.25000000000000 0.75000000000000 0.14007469404745 15.999 > 8 60 O 0.75000000000000 0.75000000000000 0.14007469404745 15.999 > 8 61 O 0.00000000000000 0.00000000000000 0.35992530595255 15.999 > 9 62 O 0.50000000000000 0.00000000000000 0.35992530595255 15.999 > 9 63 O 0.00000000000000 0.50000000000000 0.35992530595255 15.999 > 9 64 O 0.50000000000000 0.50000000000000 0.35992530595255 15.999 > 9 *65 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 10 66 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 10 67 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 10 68 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 10 *69 O 0.00000000000000 0.00000000000000 0.22245765580554 15.999 > 11 70 O 0.50000000000000 0.00000000000000 0.22245765580554 15.999 > 11 71 O 0.00000000000000 0.50000000000000 0.22245765580554 15.999 > 11 72 O 0.50000000000000 0.50000000000000 0.22245765580554 15.999 > 11 73 O 0.25000000000000 0.25000000000000 0.27754234419446 15.999 > 12 74 O 0.75000000000000 0.25000000000000 0.27754234419446 15.999 > 12 75 O 0.25000000000000 0.75000000000000 0.27754234419446 15.999 > 12 76 O 0.75000000000000 0.75000000000000 0.27754234419446 15.999 > 12 *77 O 0.00000000000000 0.00000000000000 0.07365101691179 15.999 > 13 78 O 0.50000000000000 0.00000000000000 0.07365101691179 15.999 > 13 79 O 0.00000000000000 0.50000000000000 0.07365101691179 15.999 > 13 80 O 0.50000000000000 0.50000000000000 0.07365101691179 15.999 > 13 81 O 0.25000000000000 0.25000000000000 0.42634898308821 15.999 > 14 82 O 0.75000000000000 0.25000000000000 0.42634898308821 15.999 > 14 83 O 0.25000000000000 0.75000000000000 0.42634898308821 15.999 > 14 84 O 0.75000000000000 0.75000000000000 0.42634898308821 15.999 > 14 85 O 0.00000000000000 0.00000000000000 0.64007469404745 15.999 > 8 86 O 0.50000000000000 0.00000000000000 0.64007469404745 15.999 > 8 87 O 0.00000000000000 0.50000000000000 0.64007469404745 15.999 > 8 88 O 0.50000000000000 0.50000000000000 0.64007469404745 15.999 > 8 89 O 0.25000000000000 0.25000000000000 0.85992530595255 15.999 > 9 90 O 0.75000000000000 0.25000000000000 0.85992530595255 15.999 > 9 91 O 0.25000000000000 0.75000000000000 0.85992530595255 15.999 > 9 92 O 0.75000000000000 0.75000000000000 0.85992530595255 15.999 > 9 93 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 10 94 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 10 95 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 10 96 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 10 97 O 0.25000000000000 0.25000000000000 0.72245765580554 15.999 > 11 98 O 0.75000000000000 0.25000000000000 0.72245765580554 15.999 > 11 99 O 0.25000000000000 0.75000000000000 0.72245765580554 15.999 > 11 100 O 0.75000000000000 0.75000000000000 0.72245765580554 15.999 > 11 101 O 0.00000000000000 0.00000000000000 0.77754234419446 15.999 > 12 102 O 0.50000000000000 0.00000000000000 0.77754234419446 15.999 > 12 103 O 0.00000000000000 0.50000000000000 0.77754234419446 15.999 > 12 104 O 0.50000000000000 0.50000000000000 0.77754234419446 15.999 > 12 105 O 0.25000000000000 0.25000000000000 0.57365101691179 15.999 > 13 106 O 0.75000000000000 0.25000000000000 0.57365101691179 15.999 > 13 107 O 0.25000000000000 0.75000000000000 0.57365101691179 15.999 > 13 108 O 0.75000000000000 0.75000000000000 0.57365101691179 15.999 > 13 109 O 0.00000000000000 0.00000000000000 0.92634898308821 15.999 > 14 110 O 0.50000000000000 0.00000000000000 0.92634898308821 15.999 > 14 111 O 0.00000000000000 0.50000000000000 0.92634898308821 15.999 > 14 112 O 0.50000000000000 0.50000000000000 0.92634898308821 15.999 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1777964 0.0000000 0.0000000 0.0000000 4.1564713 0.0000000 0.0000000 0.0000000 4.1106973 -------------------------- Born effective charges -------------------------- 1 Ba 2.7222037 0.0000000 0.0000000 0.0000000 2.8062628 0.0000000 0.0000000 0.0000000 2.7954934 2 Ba 2.7222037 0.0000000 0.0000000 0.0000000 2.8062628 0.0000000 0.0000000 0.0000000 2.7954934 3 Ba 2.7277363 0.0000000 0.0000000 0.0000000 2.7935089 0.0000000 0.0000000 0.0000000 2.8241261 4 Sr 2.5452878 0.0000000 0.0000000 0.0000000 2.4173247 0.0000000 0.0000000 0.0000000 2.4774748 5 Sr 2.5452878 0.0000000 0.0000000 0.0000000 2.4173247 0.0000000 0.0000000 0.0000000 2.4774748 6 Sr 2.5101087 0.0000000 0.0000000 0.0000000 2.4499235 0.0000000 0.0000000 0.0000000 2.3795551 7 Sr 2.5101087 0.0000000 0.0000000 0.0000000 2.4499235 0.0000000 0.0000000 0.0000000 2.3795551 8 O -2.4440410 0.0000000 0.0000000 0.0000000 -2.9426860 0.0000000 0.0000000 0.0000000 -2.3770137 9 O -2.4440410 0.0000000 0.0000000 0.0000000 -2.9426860 0.0000000 0.0000000 0.0000000 -2.3770137 10 O -2.4430952 0.0000000 0.0000000 0.0000000 -2.9351014 0.0000000 0.0000000 0.0000000 -2.3665551 11 O -2.6636500 0.0000000 0.0000000 0.0000000 -2.3379303 0.0000000 0.0000000 0.0000000 -2.6692261 12 O -2.6636500 0.0000000 0.0000000 0.0000000 -2.3379303 0.0000000 0.0000000 0.0000000 -2.6692261 13 O -2.8122298 0.0000000 0.0000000 0.0000000 -2.3220984 0.0000000 0.0000000 0.0000000 -2.8350690 14 O -2.8122298 0.0000000 0.0000000 0.0000000 -2.3220984 0.0000000 0.0000000 0.0000000 -2.8350690 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 8556/8556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1118 Number of blocks in projector: 1126 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 142 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 25 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 25 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1118, 1094), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (25, 25), data: True |-- (25, 25), data: True |-- (142, 142), data: True |-- (144, 144), data: True |-- (260, 252), data: True |-- (260, 252), data: True |-- (260, 252), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.164 Solver_block: 200 / 240 - Time: 1.171 Solver_block: 240 / 240 - Time: 0.538 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.895 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 8556/8556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1118 Number of blocks in projector: 1126 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 9 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 3 / 9 --- Block_size: 260 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 142 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 25 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 25 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1118, 1094), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (25, 25), data: True |-- (25, 25), data: True |-- (142, 142), data: True |-- (144, 144), data: True |-- (260, 252), data: True |-- (260, 252), data: True |-- (260, 252), 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 2026-01-09 00:26:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:26:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.875399965000000 2.662499550000000 13.184207794999999 b 1.875399965000000 -2.662499550000000 13.184207794999999 c 1.875399965000000 2.662499550000000 -13.184207794999999 Atomic positions (fractional): 1 Ba 0.85468875195362 0.35468875195362 0.50000000000000 137.327 2 Ba 0.14531124804638 0.64531124804638 0.50000000000000 137.327 3 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 4 Sr 0.28518161871856 0.78518161871856 0.50000000000000 87.620 5 Sr 0.71481838128144 0.21481838128144 0.50000000000000 87.620 6 Sr 0.42821530624756 0.92821530624756 0.50000000000000 87.620 7 Sr 0.57178469375244 0.07178469375244 0.50000000000000 87.620 8 O 0.64007469404745 0.64007469404745 0.00000000000000 15.999 9 O 0.35992530595255 0.35992530595255 0.00000000000000 15.999 10 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 11 O 0.22245765580554 0.22245765580554 0.00000000000000 15.999 12 O 0.77754234419446 0.77754234419446 0.00000000000000 15.999 13 O 0.07365101691179 0.07365101691179 0.00000000000000 15.999 14 O 0.92634898308821 0.92634898308821 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.501599860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.649998200000001 0.000000000000000 c 0.000000000000000 0.000000000000000 26.368415589999998 Atomic positions (fractional): 1 Ba 0.00000000000000 0.25000000000000 0.35468875195362 137.327 > 1 2 Ba 0.50000000000000 0.25000000000000 0.35468875195362 137.327 > 1 3 Ba 0.00000000000000 0.75000000000000 0.35468875195362 137.327 > 1 4 Ba 0.50000000000000 0.75000000000000 0.35468875195362 137.327 > 1 5 Ba 0.25000000000000 0.00000000000000 0.14531124804638 137.327 > 5 6 Ba 0.75000000000000 0.00000000000000 0.14531124804638 137.327 > 5 7 Ba 0.25000000000000 0.50000000000000 0.14531124804638 137.327 > 5 8 Ba 0.75000000000000 0.50000000000000 0.14531124804638 137.327 > 5 9 Ba 0.25000000000000 0.00000000000000 0.00000000000000 137.327 > 9 10 Ba 0.75000000000000 0.00000000000000 0.00000000000000 137.327 > 9 11 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 9 12 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 9 13 Ba 0.25000000000000 0.00000000000000 0.85468875195362 137.327 > 1 14 Ba 0.75000000000000 0.00000000000000 0.85468875195362 137.327 > 1 15 Ba 0.25000000000000 0.50000000000000 0.85468875195362 137.327 > 1 16 Ba 0.75000000000000 0.50000000000000 0.85468875195362 137.327 > 1 17 Ba 0.00000000000000 0.25000000000000 0.64531124804638 137.327 > 5 18 Ba 0.50000000000000 0.25000000000000 0.64531124804638 137.327 > 5 19 Ba 0.00000000000000 0.75000000000000 0.64531124804638 137.327 > 5 20 Ba 0.50000000000000 0.75000000000000 0.64531124804638 137.327 > 5 21 Ba 0.00000000000000 0.25000000000000 0.50000000000000 137.327 > 9 22 Ba 0.50000000000000 0.25000000000000 0.50000000000000 137.327 > 9 23 Ba 0.00000000000000 0.75000000000000 0.50000000000000 137.327 > 9 24 Ba 0.50000000000000 0.75000000000000 0.50000000000000 137.327 > 9 25 Sr 0.25000000000000 0.00000000000000 0.28518161871856 87.620 > 25 26 Sr 0.75000000000000 0.00000000000000 0.28518161871856 87.620 > 25 27 Sr 0.25000000000000 0.50000000000000 0.28518161871856 87.620 > 25 28 Sr 0.75000000000000 0.50000000000000 0.28518161871856 87.620 > 25 29 Sr 0.00000000000000 0.25000000000000 0.21481838128144 87.620 > 29 30 Sr 0.50000000000000 0.25000000000000 0.21481838128144 87.620 > 29 31 Sr 0.00000000000000 0.75000000000000 0.21481838128144 87.620 > 29 32 Sr 0.50000000000000 0.75000000000000 0.21481838128144 87.620 > 29 33 Sr 0.25000000000000 0.00000000000000 0.42821530624756 87.620 > 33 34 Sr 0.75000000000000 0.00000000000000 0.42821530624756 87.620 > 33 35 Sr 0.25000000000000 0.50000000000000 0.42821530624756 87.620 > 33 36 Sr 0.75000000000000 0.50000000000000 0.42821530624756 87.620 > 33 37 Sr 0.00000000000000 0.25000000000000 0.07178469375244 87.620 > 37 38 Sr 0.50000000000000 0.25000000000000 0.07178469375244 87.620 > 37 39 Sr 0.00000000000000 0.75000000000000 0.07178469375244 87.620 > 37 40 Sr 0.50000000000000 0.75000000000000 0.07178469375244 87.620 > 37 41 Sr 0.00000000000000 0.25000000000000 0.78518161871856 87.620 > 25 42 Sr 0.50000000000000 0.25000000000000 0.78518161871856 87.620 > 25 43 Sr 0.00000000000000 0.75000000000000 0.78518161871856 87.620 > 25 44 Sr 0.50000000000000 0.75000000000000 0.78518161871856 87.620 > 25 45 Sr 0.25000000000000 0.00000000000000 0.71481838128144 87.620 > 29 46 Sr 0.75000000000000 0.00000000000000 0.71481838128144 87.620 > 29 47 Sr 0.25000000000000 0.50000000000000 0.71481838128144 87.620 > 29 48 Sr 0.75000000000000 0.50000000000000 0.71481838128144 87.620 > 29 49 Sr 0.00000000000000 0.25000000000000 0.92821530624756 87.620 > 33 50 Sr 0.50000000000000 0.25000000000000 0.92821530624756 87.620 > 33 51 Sr 0.00000000000000 0.75000000000000 0.92821530624756 87.620 > 33 52 Sr 0.50000000000000 0.75000000000000 0.92821530624756 87.620 > 33 53 Sr 0.25000000000000 0.00000000000000 0.57178469375244 87.620 > 37 54 Sr 0.75000000000000 0.00000000000000 0.57178469375244 87.620 > 37 55 Sr 0.25000000000000 0.50000000000000 0.57178469375244 87.620 > 37 56 Sr 0.75000000000000 0.50000000000000 0.57178469375244 87.620 > 37 57 O 0.25000000000000 0.25000000000000 0.14007469404745 15.999 > 57 58 O 0.75000000000000 0.25000000000000 0.14007469404745 15.999 > 57 59 O 0.25000000000000 0.75000000000000 0.14007469404745 15.999 > 57 60 O 0.75000000000000 0.75000000000000 0.14007469404745 15.999 > 57 61 O 0.00000000000000 0.00000000000000 0.35992530595255 15.999 > 61 62 O 0.50000000000000 0.00000000000000 0.35992530595255 15.999 > 61 63 O 0.00000000000000 0.50000000000000 0.35992530595255 15.999 > 61 64 O 0.50000000000000 0.50000000000000 0.35992530595255 15.999 > 61 65 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 65 66 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 65 67 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 65 68 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.22245765580554 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.22245765580554 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.22245765580554 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.22245765580554 15.999 > 69 73 O 0.25000000000000 0.25000000000000 0.27754234419446 15.999 > 73 74 O 0.75000000000000 0.25000000000000 0.27754234419446 15.999 > 73 75 O 0.25000000000000 0.75000000000000 0.27754234419446 15.999 > 73 76 O 0.75000000000000 0.75000000000000 0.27754234419446 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.07365101691179 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.07365101691179 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.07365101691179 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.07365101691179 15.999 > 77 81 O 0.25000000000000 0.25000000000000 0.42634898308821 15.999 > 81 82 O 0.75000000000000 0.25000000000000 0.42634898308821 15.999 > 81 83 O 0.25000000000000 0.75000000000000 0.42634898308821 15.999 > 81 84 O 0.75000000000000 0.75000000000000 0.42634898308821 15.999 > 81 85 O 0.00000000000000 0.00000000000000 0.64007469404745 15.999 > 57 86 O 0.50000000000000 0.00000000000000 0.64007469404745 15.999 > 57 87 O 0.00000000000000 0.50000000000000 0.64007469404745 15.999 > 57 88 O 0.50000000000000 0.50000000000000 0.64007469404745 15.999 > 57 89 O 0.25000000000000 0.25000000000000 0.85992530595255 15.999 > 61 90 O 0.75000000000000 0.25000000000000 0.85992530595255 15.999 > 61 91 O 0.25000000000000 0.75000000000000 0.85992530595255 15.999 > 61 92 O 0.75000000000000 0.75000000000000 0.85992530595255 15.999 > 61 93 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 65 94 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 65 95 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 65 96 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 65 97 O 0.25000000000000 0.25000000000000 0.72245765580554 15.999 > 69 98 O 0.75000000000000 0.25000000000000 0.72245765580554 15.999 > 69 99 O 0.25000000000000 0.75000000000000 0.72245765580554 15.999 > 69 100 O 0.75000000000000 0.75000000000000 0.72245765580554 15.999 > 69 101 O 0.00000000000000 0.00000000000000 0.77754234419446 15.999 > 73 102 O 0.50000000000000 0.00000000000000 0.77754234419446 15.999 > 73 103 O 0.00000000000000 0.50000000000000 0.77754234419446 15.999 > 73 104 O 0.50000000000000 0.50000000000000 0.77754234419446 15.999 > 73 105 O 0.25000000000000 0.25000000000000 0.57365101691179 15.999 > 77 106 O 0.75000000000000 0.25000000000000 0.57365101691179 15.999 > 77 107 O 0.25000000000000 0.75000000000000 0.57365101691179 15.999 > 77 108 O 0.75000000000000 0.75000000000000 0.57365101691179 15.999 > 77 109 O 0.00000000000000 0.00000000000000 0.92634898308821 15.999 > 81 110 O 0.50000000000000 0.00000000000000 0.92634898308821 15.999 > 81 111 O 0.00000000000000 0.50000000000000 0.92634898308821 15.999 > 81 112 O 0.50000000000000 0.50000000000000 0.92634898308821 15.999 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1777964 0.0000000 0.0000000 0.0000000 4.1564713 0.0000000 0.0000000 0.0000000 4.1106973 -------------------------- Born effective charges -------------------------- 1 Ba 2.7222037 0.0000000 0.0000000 0.0000000 2.8062628 0.0000000 0.0000000 0.0000000 2.7954934 2 Ba 2.7222037 0.0000000 0.0000000 0.0000000 2.8062628 0.0000000 0.0000000 0.0000000 2.7954934 3 Ba 2.7277363 0.0000000 0.0000000 0.0000000 2.7935089 0.0000000 0.0000000 0.0000000 2.8241261 4 Sr 2.5452878 0.0000000 0.0000000 0.0000000 2.4173247 0.0000000 0.0000000 0.0000000 2.4774748 5 Sr 2.5452878 0.0000000 0.0000000 0.0000000 2.4173247 0.0000000 0.0000000 0.0000000 2.4774748 6 Sr 2.5101087 0.0000000 0.0000000 0.0000000 2.4499235 0.0000000 0.0000000 0.0000000 2.3795551 7 Sr 2.5101087 0.0000000 0.0000000 0.0000000 2.4499235 0.0000000 0.0000000 0.0000000 2.3795551 8 O -2.4440410 0.0000000 0.0000000 0.0000000 -2.9426860 0.0000000 0.0000000 0.0000000 -2.3770137 9 O -2.4440410 0.0000000 0.0000000 0.0000000 -2.9426860 0.0000000 0.0000000 0.0000000 -2.3770137 10 O -2.4430952 0.0000000 0.0000000 0.0000000 -2.9351014 0.0000000 0.0000000 0.0000000 -2.3665551 11 O -2.6636500 0.0000000 0.0000000 0.0000000 -2.3379303 0.0000000 0.0000000 0.0000000 -2.6692261 12 O -2.6636500 0.0000000 0.0000000 0.0000000 -2.3379303 0.0000000 0.0000000 0.0000000 -2.6692261 13 O -2.8122298 0.0000000 0.0000000 0.0000000 -2.3220984 0.0000000 0.0000000 0.0000000 -2.8350690 14 O -2.8122298 0.0000000 0.0000000 0.0000000 -2.3220984 0.0000000 0.0000000 0.0000000 -2.8350690 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, 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[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, 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: -0.00000167 (yzy) -0.00000167 (yzy) -0.00000167 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-09 00:27:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:27:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Immm (71) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -1.875399965000000 2.662499550000000 13.184207794999999 b 1.875399965000000 -2.662499550000000 13.184207794999999 c 1.875399965000000 2.662499550000000 -13.184207794999999 Atomic positions (fractional): 1 Ba 0.85468875195362 0.35468875195362 0.50000000000000 137.327 2 Ba 0.14531124804638 0.64531124804638 0.50000000000000 137.327 3 Ba 0.00000000000000 0.50000000000000 0.50000000000000 137.327 4 Sr 0.28518161871856 0.78518161871856 0.50000000000000 87.620 5 Sr 0.71481838128144 0.21481838128144 0.50000000000000 87.620 6 Sr 0.42821530624756 0.92821530624756 0.50000000000000 87.620 7 Sr 0.57178469375244 0.07178469375244 0.50000000000000 87.620 8 O 0.64007469404745 0.64007469404745 0.00000000000000 15.999 9 O 0.35992530595255 0.35992530595255 0.00000000000000 15.999 10 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 11 O 0.22245765580554 0.22245765580554 0.00000000000000 15.999 12 O 0.77754234419446 0.77754234419446 0.00000000000000 15.999 13 O 0.07365101691179 0.07365101691179 0.00000000000000 15.999 14 O 0.92634898308821 0.92634898308821 0.00000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.501599860000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.649998200000001 0.000000000000000 c 0.000000000000000 0.000000000000000 26.368415589999998 Atomic positions (fractional): 1 Ba 0.00000000000000 0.25000000000000 0.35468875195362 137.327 > 1 2 Ba 0.50000000000000 0.25000000000000 0.35468875195362 137.327 > 1 3 Ba 0.00000000000000 0.75000000000000 0.35468875195362 137.327 > 1 4 Ba 0.50000000000000 0.75000000000000 0.35468875195362 137.327 > 1 5 Ba 0.25000000000000 0.00000000000000 0.14531124804638 137.327 > 5 6 Ba 0.75000000000000 0.00000000000000 0.14531124804638 137.327 > 5 7 Ba 0.25000000000000 0.50000000000000 0.14531124804638 137.327 > 5 8 Ba 0.75000000000000 0.50000000000000 0.14531124804638 137.327 > 5 9 Ba 0.25000000000000 0.00000000000000 0.00000000000000 137.327 > 9 10 Ba 0.75000000000000 0.00000000000000 0.00000000000000 137.327 > 9 11 Ba 0.25000000000000 0.50000000000000 0.00000000000000 137.327 > 9 12 Ba 0.75000000000000 0.50000000000000 0.00000000000000 137.327 > 9 13 Ba 0.25000000000000 0.00000000000000 0.85468875195362 137.327 > 1 14 Ba 0.75000000000000 0.00000000000000 0.85468875195362 137.327 > 1 15 Ba 0.25000000000000 0.50000000000000 0.85468875195362 137.327 > 1 16 Ba 0.75000000000000 0.50000000000000 0.85468875195362 137.327 > 1 17 Ba 0.00000000000000 0.25000000000000 0.64531124804638 137.327 > 5 18 Ba 0.50000000000000 0.25000000000000 0.64531124804638 137.327 > 5 19 Ba 0.00000000000000 0.75000000000000 0.64531124804638 137.327 > 5 20 Ba 0.50000000000000 0.75000000000000 0.64531124804638 137.327 > 5 21 Ba 0.00000000000000 0.25000000000000 0.50000000000000 137.327 > 9 22 Ba 0.50000000000000 0.25000000000000 0.50000000000000 137.327 > 9 23 Ba 0.00000000000000 0.75000000000000 0.50000000000000 137.327 > 9 24 Ba 0.50000000000000 0.75000000000000 0.50000000000000 137.327 > 9 25 Sr 0.25000000000000 0.00000000000000 0.28518161871856 87.620 > 25 26 Sr 0.75000000000000 0.00000000000000 0.28518161871856 87.620 > 25 27 Sr 0.25000000000000 0.50000000000000 0.28518161871856 87.620 > 25 28 Sr 0.75000000000000 0.50000000000000 0.28518161871856 87.620 > 25 29 Sr 0.00000000000000 0.25000000000000 0.21481838128144 87.620 > 29 30 Sr 0.50000000000000 0.25000000000000 0.21481838128144 87.620 > 29 31 Sr 0.00000000000000 0.75000000000000 0.21481838128144 87.620 > 29 32 Sr 0.50000000000000 0.75000000000000 0.21481838128144 87.620 > 29 33 Sr 0.25000000000000 0.00000000000000 0.42821530624756 87.620 > 33 34 Sr 0.75000000000000 0.00000000000000 0.42821530624756 87.620 > 33 35 Sr 0.25000000000000 0.50000000000000 0.42821530624756 87.620 > 33 36 Sr 0.75000000000000 0.50000000000000 0.42821530624756 87.620 > 33 37 Sr 0.00000000000000 0.25000000000000 0.07178469375244 87.620 > 37 38 Sr 0.50000000000000 0.25000000000000 0.07178469375244 87.620 > 37 39 Sr 0.00000000000000 0.75000000000000 0.07178469375244 87.620 > 37 40 Sr 0.50000000000000 0.75000000000000 0.07178469375244 87.620 > 37 41 Sr 0.00000000000000 0.25000000000000 0.78518161871856 87.620 > 25 42 Sr 0.50000000000000 0.25000000000000 0.78518161871856 87.620 > 25 43 Sr 0.00000000000000 0.75000000000000 0.78518161871856 87.620 > 25 44 Sr 0.50000000000000 0.75000000000000 0.78518161871856 87.620 > 25 45 Sr 0.25000000000000 0.00000000000000 0.71481838128144 87.620 > 29 46 Sr 0.75000000000000 0.00000000000000 0.71481838128144 87.620 > 29 47 Sr 0.25000000000000 0.50000000000000 0.71481838128144 87.620 > 29 48 Sr 0.75000000000000 0.50000000000000 0.71481838128144 87.620 > 29 49 Sr 0.00000000000000 0.25000000000000 0.92821530624756 87.620 > 33 50 Sr 0.50000000000000 0.25000000000000 0.92821530624756 87.620 > 33 51 Sr 0.00000000000000 0.75000000000000 0.92821530624756 87.620 > 33 52 Sr 0.50000000000000 0.75000000000000 0.92821530624756 87.620 > 33 53 Sr 0.25000000000000 0.00000000000000 0.57178469375244 87.620 > 37 54 Sr 0.75000000000000 0.00000000000000 0.57178469375244 87.620 > 37 55 Sr 0.25000000000000 0.50000000000000 0.57178469375244 87.620 > 37 56 Sr 0.75000000000000 0.50000000000000 0.57178469375244 87.620 > 37 57 O 0.25000000000000 0.25000000000000 0.14007469404745 15.999 > 57 58 O 0.75000000000000 0.25000000000000 0.14007469404745 15.999 > 57 59 O 0.25000000000000 0.75000000000000 0.14007469404745 15.999 > 57 60 O 0.75000000000000 0.75000000000000 0.14007469404745 15.999 > 57 61 O 0.00000000000000 0.00000000000000 0.35992530595255 15.999 > 61 62 O 0.50000000000000 0.00000000000000 0.35992530595255 15.999 > 61 63 O 0.00000000000000 0.50000000000000 0.35992530595255 15.999 > 61 64 O 0.50000000000000 0.50000000000000 0.35992530595255 15.999 > 61 65 O 0.25000000000000 0.25000000000000 0.00000000000000 15.999 > 65 66 O 0.75000000000000 0.25000000000000 0.00000000000000 15.999 > 65 67 O 0.25000000000000 0.75000000000000 0.00000000000000 15.999 > 65 68 O 0.75000000000000 0.75000000000000 0.00000000000000 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.22245765580554 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.22245765580554 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.22245765580554 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.22245765580554 15.999 > 69 73 O 0.25000000000000 0.25000000000000 0.27754234419446 15.999 > 73 74 O 0.75000000000000 0.25000000000000 0.27754234419446 15.999 > 73 75 O 0.25000000000000 0.75000000000000 0.27754234419446 15.999 > 73 76 O 0.75000000000000 0.75000000000000 0.27754234419446 15.999 > 73 77 O 0.00000000000000 0.00000000000000 0.07365101691179 15.999 > 77 78 O 0.50000000000000 0.00000000000000 0.07365101691179 15.999 > 77 79 O 0.00000000000000 0.50000000000000 0.07365101691179 15.999 > 77 80 O 0.50000000000000 0.50000000000000 0.07365101691179 15.999 > 77 81 O 0.25000000000000 0.25000000000000 0.42634898308821 15.999 > 81 82 O 0.75000000000000 0.25000000000000 0.42634898308821 15.999 > 81 83 O 0.25000000000000 0.75000000000000 0.42634898308821 15.999 > 81 84 O 0.75000000000000 0.75000000000000 0.42634898308821 15.999 > 81 85 O 0.00000000000000 0.00000000000000 0.64007469404745 15.999 > 57 86 O 0.50000000000000 0.00000000000000 0.64007469404745 15.999 > 57 87 O 0.00000000000000 0.50000000000000 0.64007469404745 15.999 > 57 88 O 0.50000000000000 0.50000000000000 0.64007469404745 15.999 > 57 89 O 0.25000000000000 0.25000000000000 0.85992530595255 15.999 > 61 90 O 0.75000000000000 0.25000000000000 0.85992530595255 15.999 > 61 91 O 0.25000000000000 0.75000000000000 0.85992530595255 15.999 > 61 92 O 0.75000000000000 0.75000000000000 0.85992530595255 15.999 > 61 93 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 65 94 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 65 95 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 65 96 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 65 97 O 0.25000000000000 0.25000000000000 0.72245765580554 15.999 > 69 98 O 0.75000000000000 0.25000000000000 0.72245765580554 15.999 > 69 99 O 0.25000000000000 0.75000000000000 0.72245765580554 15.999 > 69 100 O 0.75000000000000 0.75000000000000 0.72245765580554 15.999 > 69 101 O 0.00000000000000 0.00000000000000 0.77754234419446 15.999 > 73 102 O 0.50000000000000 0.00000000000000 0.77754234419446 15.999 > 73 103 O 0.00000000000000 0.50000000000000 0.77754234419446 15.999 > 73 104 O 0.50000000000000 0.50000000000000 0.77754234419446 15.999 > 73 105 O 0.25000000000000 0.25000000000000 0.57365101691179 15.999 > 77 106 O 0.75000000000000 0.25000000000000 0.57365101691179 15.999 > 77 107 O 0.25000000000000 0.75000000000000 0.57365101691179 15.999 > 77 108 O 0.75000000000000 0.75000000000000 0.57365101691179 15.999 > 77 109 O 0.00000000000000 0.00000000000000 0.92634898308821 15.999 > 81 110 O 0.50000000000000 0.00000000000000 0.92634898308821 15.999 > 81 111 O 0.00000000000000 0.50000000000000 0.92634898308821 15.999 > 81 112 O 0.50000000000000 0.50000000000000 0.92634898308821 15.999 > 81 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1777964 0.0000000 0.0000000 0.0000000 4.1564713 0.0000000 0.0000000 0.0000000 4.1106973 -------------------------- Born effective charges -------------------------- 1 Ba 2.7222037 0.0000000 0.0000000 0.0000000 2.8062628 0.0000000 0.0000000 0.0000000 2.7954934 2 Ba 2.7222037 0.0000000 0.0000000 0.0000000 2.8062628 0.0000000 0.0000000 0.0000000 2.7954934 3 Ba 2.7277363 0.0000000 0.0000000 0.0000000 2.7935089 0.0000000 0.0000000 0.0000000 2.8241261 4 Sr 2.5452878 0.0000000 0.0000000 0.0000000 2.4173247 0.0000000 0.0000000 0.0000000 2.4774748 5 Sr 2.5452878 0.0000000 0.0000000 0.0000000 2.4173247 0.0000000 0.0000000 0.0000000 2.4774748 6 Sr 2.5101087 0.0000000 0.0000000 0.0000000 2.4499235 0.0000000 0.0000000 0.0000000 2.3795551 7 Sr 2.5101087 0.0000000 0.0000000 0.0000000 2.4499235 0.0000000 0.0000000 0.0000000 2.3795551 8 O -2.4440410 0.0000000 0.0000000 0.0000000 -2.9426860 0.0000000 0.0000000 0.0000000 -2.3770137 9 O -2.4440410 0.0000000 0.0000000 0.0000000 -2.9426860 0.0000000 0.0000000 0.0000000 -2.3770137 10 O -2.4430952 0.0000000 0.0000000 0.0000000 -2.9351014 0.0000000 0.0000000 0.0000000 -2.3665551 11 O -2.6636500 0.0000000 0.0000000 0.0000000 -2.3379303 0.0000000 0.0000000 0.0000000 -2.6692261 12 O -2.6636500 0.0000000 0.0000000 0.0000000 -2.3379303 0.0000000 0.0000000 0.0000000 -2.6692261 13 O -2.8122298 0.0000000 0.0000000 0.0000000 -2.3220984 0.0000000 0.0000000 0.0000000 -2.8350690 14 O -2.8122298 0.0000000 0.0000000 0.0000000 -2.3220984 0.0000000 0.0000000 0.0000000 -2.8350690 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000167 (yzy) -0.00000167 (yzy) -0.00000167 (yyz) 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 ... Generalized regular grid: [ 1 1 468 ] Grid generation matrix: [ 0 13 13 ] [ 9 0 9 ] [ 2 2 0 ] 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: 0.65, Number of G-points: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| -0.000 ( 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 1.665 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.819 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.273 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.561 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.094 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.600 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.566 ( 0.000 0.000 0.000) 0.000 7.803 ( 0.000 0.000 0.000) 0.000 8.043 ( 0.000 0.000 0.000) 0.000 8.182 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 8.536 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 9.783 ( 0.000 0.000 0.000) 0.000 10.874 ( 0.000 0.000 0.000) 0.000 12.680 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: (-0.11 -0.39 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( -8.569 -1.757 -6.106) 10.668 2.416 ( -9.826 0.202 1.968) 10.023 2.442 ( -12.822 1.610 0.852) 12.950 2.517 ( -8.967 -2.751 0.640) 9.401 2.601 ( -1.365 -4.369 -1.682) 4.877 2.702 ( -5.779 -5.741 1.526) 8.287 2.764 ( -0.634 -4.114 1.359) 4.379 2.823 ( 2.557 4.302 0.636) 5.045 3.018 ( 0.450 4.385 -0.760) 4.473 3.102 ( 1.865 1.348 2.426) 3.344 3.189 ( 4.831 -12.733 5.852) 14.823 3.399 ( 8.171 -0.982 0.432) 8.241 3.468 ( 6.591 -15.318 -3.249) 16.989 3.544 ( 8.420 -12.394 -4.365) 15.606 4.007 ( -6.651 0.778 -2.367) 7.102 4.038 ( 0.079 0.015 -4.150) 4.151 4.170 ( -8.630 -5.200 1.347) 10.165 4.334 ( -1.483 -2.488 4.680) 5.503 4.336 ( 0.346 -14.682 4.105) 15.249 4.610 ( -3.592 -2.223 -2.076) 4.707 4.659 ( -7.761 -13.258 -3.994) 15.874 4.704 ( -4.420 -7.015 1.962) 8.521 4.912 ( -20.545 -14.361 1.844) 25.134 5.076 ( -6.637 -12.882 -3.011) 14.800 5.754 ( -8.779 -5.536 -0.835) 10.412 5.976 ( 1.682 -8.054 6.278) 10.350 6.099 ( 15.913 -5.575 1.054) 16.894 6.353 ( 5.401 -6.688 -0.652) 8.621 6.546 ( 6.175 -8.259 6.662) 12.277 7.220 ( 2.963 -10.437 -18.167) 21.160 7.851 ( 8.626 -3.157 -6.279) 11.127 7.984 ( 5.173 -4.444 8.202) 10.667 8.060 ( 1.949 -14.250 1.278) 14.439 8.225 ( 9.422 -14.471 -0.482) 17.275 8.378 ( 3.975 -14.321 -1.717) 14.961 8.516 ( 10.593 -8.418 -9.407) 16.479 8.540 ( -2.153 -6.466 4.747) 8.306 8.763 ( -5.730 -8.998 10.258) 14.799 9.340 ( 3.283 -12.999 9.811) 16.613 10.089 ( -7.698 -9.294 11.976) 17.002 11.227 ( 4.663 -6.763 -33.838) 34.821 12.260 ( 12.224 -2.770 15.925) 20.266 ======================= Grid point 2 (3/105) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 14.085 -6.646 -0.000) 15.574 1.750 ( 11.871 -9.757 -0.000) 15.366 2.208 ( 10.064 -1.983 -0.000) 10.257 2.233 ( 9.872 0.209 -0.000) 9.874 2.501 ( 6.730 -4.544 -0.000) 8.120 2.537 ( 11.424 -9.467 -0.000) 14.837 2.625 ( 2.961 1.797 0.000) 3.464 2.693 ( 1.699 6.439 0.000) 6.660 2.922 ( -1.857 10.718 0.000) 10.878 2.947 ( 5.709 6.438 0.000) 8.605 3.462 ( 10.747 -3.559 -0.000) 11.321 3.528 ( 12.902 -9.666 -0.000) 16.121 3.556 ( 10.538 1.052 0.000) 10.590 3.619 ( 15.020 -8.887 -0.000) 17.452 3.817 ( -0.867 3.217 0.000) 3.332 3.917 ( 4.415 -13.920 -0.000) 14.603 4.040 ( 23.849 -8.677 -0.000) 25.378 4.291 ( 0.670 -17.021 -0.000) 17.034 4.368 ( 10.031 -12.282 -0.000) 15.858 4.422 ( 10.560 -17.923 -0.000) 20.803 4.477 ( -3.942 -10.448 -0.000) 11.167 4.895 ( 8.200 -2.113 -0.000) 8.468 4.898 ( -1.206 -5.502 -0.000) 5.633 5.052 ( -6.151 -21.028 -0.000) 21.909 5.266 ( 19.115 -9.176 -0.000) 21.203 5.943 ( 13.337 -12.362 -0.000) 18.185 6.297 ( 21.347 -10.418 -0.000) 23.754 6.708 ( 2.885 -9.016 -0.000) 9.466 6.845 ( -9.116 -0.721 -0.000) 9.144 7.758 ( -3.312 -7.492 -0.000) 8.192 7.797 ( 21.048 -12.505 -0.000) 24.483 8.214 ( 2.418 -6.174 -0.000) 6.631 8.316 ( -1.068 -5.060 -0.000) 5.171 8.429 ( -5.949 -9.889 -0.000) 11.541 8.596 ( -0.461 -11.736 -0.000) 11.745 8.911 ( 6.286 -25.924 -0.000) 26.675 9.157 ( -14.476 -8.913 -0.000) 17.000 9.620 ( -3.341 -27.614 -0.000) 27.815 10.140 ( -32.048 -21.403 -0.000) 38.538 11.532 ( -27.524 -11.857 -0.000) 29.969 11.617 ( -30.973 -15.223 -0.000) 34.512 12.779 ( -5.204 0.072 0.000) 5.204 ======================= Grid point 3 (4/105) ======================= q-point: (-0.34 -0.16 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -6.166 -14.270 2.405) 15.730 1.847 ( -5.772 -6.642 9.317) 12.815 1.943 ( -8.646 -13.381 -9.425) 18.511 2.262 ( -7.597 -1.030 -4.751) 9.019 2.386 ( -8.766 -4.484 -0.067) 9.847 2.439 ( -5.917 -0.655 -0.083) 5.954 2.530 ( -1.011 5.114 1.588) 5.450 2.561 ( -6.593 -1.412 0.338) 6.751 2.624 ( -3.945 4.667 1.655) 6.331 2.884 ( -3.620 4.070 -7.756) 9.477 2.957 ( -12.183 4.962 11.580) 17.526 3.225 ( -10.150 2.105 7.907) 13.037 3.381 ( -15.304 5.238 -8.436) 18.243 3.580 ( -11.604 -9.249 2.896) 15.119 3.628 ( -12.880 6.082 -2.598) 14.479 3.752 ( -25.154 -18.253 -0.860) 31.090 4.113 ( -3.151 -14.593 6.289) 16.200 4.272 ( -8.645 -10.097 6.450) 14.775 4.520 ( -3.080 -7.922 0.153) 8.501 4.664 ( -7.909 0.486 -1.369) 8.042 4.818 ( 5.728 -9.613 -7.583) 13.518 4.913 ( 4.851 -11.705 4.868) 13.573 5.043 ( -12.883 -8.952 0.875) 15.712 5.152 ( 1.256 -5.515 -8.855) 10.507 5.596 ( -10.533 -18.119 -5.614) 21.697 5.883 ( -8.517 -12.577 7.048) 16.745 6.043 ( -18.890 -11.253 2.754) 22.159 6.604 ( -12.934 -7.211 9.617) 17.657 7.007 ( 7.328 3.666 -4.954) 9.575 7.591 ( -18.532 -2.740 -2.189) 18.861 7.972 ( 4.528 -2.722 -4.584) 6.995 8.044 ( -11.381 -3.033 5.808) 13.132 8.488 ( -3.477 -2.544 -7.953) 9.045 8.695 ( 2.162 -4.648 2.916) 5.897 8.755 ( 4.585 -3.926 1.096) 6.135 9.359 ( -4.838 -26.584 -0.979) 27.039 9.813 ( 14.739 -21.553 1.103) 26.134 10.351 ( 9.756 -26.922 1.127) 28.658 10.983 ( 16.275 -8.466 -0.886) 18.367 12.292 ( 30.702 -14.316 4.074) 34.119 12.563 ( 17.076 -6.367 -5.801) 19.125 12.852 ( 7.445 -1.251 2.678) 8.011 ======================= Grid point 4 (5/105) ======================= q-point: (-0.45 0.45 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 2.851 -1.696 -0.000) 3.318 2.401 ( 3.273 0.471 0.000) 3.306 2.505 ( -0.279 3.537 0.000) 3.548 2.551 ( 3.046 0.394 0.000) 3.071 2.770 ( 3.178 -0.431 -0.000) 3.207 2.820 ( 3.420 1.406 0.000) 3.697 2.835 ( -5.971 2.435 0.000) 6.449 3.056 ( -4.241 2.511 0.000) 4.929 3.139 ( 8.698 -5.919 -0.000) 10.521 3.255 ( 10.479 -6.028 -0.000) 12.089 3.469 ( -0.424 -1.822 -0.000) 1.871 3.523 ( -3.615 -2.332 -0.000) 4.302 3.900 ( 4.676 2.858 0.000) 5.481 4.055 ( -9.546 -1.910 -0.000) 9.735 4.063 ( -9.575 -2.375 -0.000) 9.865 4.138 ( 3.356 1.833 0.000) 3.824 4.661 ( 1.501 -4.889 -0.000) 5.114 4.838 ( 4.257 -4.477 -0.000) 6.177 5.237 ( 0.584 -10.311 -0.000) 10.328 5.345 ( 4.172 -5.962 -0.000) 7.277 5.360 ( 5.159 4.726 0.000) 6.997 5.442 ( 1.865 -2.429 -0.000) 3.062 5.919 ( 4.516 -5.605 -0.000) 7.198 6.173 ( 4.988 -5.223 -0.000) 7.222 6.214 ( 3.062 -4.301 -0.000) 5.279 6.414 ( 0.640 -1.956 -0.000) 2.058 6.767 ( 0.403 -3.232 -0.000) 3.257 6.942 ( -4.237 -11.434 -0.000) 12.194 6.997 ( -5.890 -1.866 -0.000) 6.179 7.261 ( -5.923 7.025 0.000) 9.189 7.790 ( -10.427 -2.503 -0.000) 10.723 7.879 ( -0.046 0.090 0.000) 0.101 8.308 ( -1.611 -1.919 -0.000) 2.506 8.714 ( 1.124 -2.561 -0.000) 2.797 8.768 ( -0.452 -1.003 -0.000) 1.100 8.923 ( 3.038 -0.585 -0.000) 3.094 9.711 ( -1.468 -5.631 -0.000) 5.820 10.356 ( -0.492 -8.237 -0.000) 8.252 10.529 ( 0.878 -10.243 -0.000) 10.280 11.307 ( -2.321 -8.703 -0.000) 9.007 12.076 ( 2.362 -10.943 -0.000) 11.195 12.815 ( -0.659 -6.017 -0.000) 6.053 ======================= Grid point 5 (6/105) ======================= q-point: ( 0.43 0.07 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 3.806 10.538 0.018) 11.204 1.965 ( 3.835 6.056 -0.344) 7.176 2.044 ( 0.674 8.414 0.690) 8.469 2.158 ( 1.947 0.691 1.777) 2.725 2.328 ( 5.204 3.895 -0.810) 6.550 2.361 ( 3.609 1.217 -0.111) 3.811 2.438 ( -1.454 -3.141 0.051) 3.461 2.441 ( -0.976 -5.208 2.049) 5.681 2.538 ( 0.174 0.165 -4.733) 4.740 2.660 ( 5.621 -3.132 -3.972) 7.562 2.768 ( 5.580 1.075 4.129) 7.024 2.918 ( 11.611 -8.793 4.270) 15.178 2.933 ( 14.833 0.630 -1.601) 14.933 3.107 ( 15.503 -10.060 -1.741) 18.563 3.685 ( -0.397 5.608 0.323) 5.631 3.753 ( 13.960 20.034 4.104) 24.761 4.093 ( 8.542 -9.924 -3.694) 13.605 4.396 ( -1.798 11.040 -12.397) 16.698 4.534 ( -0.317 4.314 -10.734) 11.573 4.607 ( -0.040 -3.199 17.173) 17.468 4.921 ( 10.834 4.028 -0.313) 11.563 5.133 ( -7.476 4.670 2.312) 9.113 5.189 ( -2.587 4.971 -4.242) 7.028 5.286 ( -2.875 2.354 7.609) 8.468 5.447 ( 18.340 5.306 -0.703) 19.105 5.855 ( 14.549 5.539 1.599) 15.650 5.960 ( 10.587 2.565 -3.622) 11.479 6.634 ( -1.301 6.813 -9.889) 12.079 7.045 ( -6.150 -4.179 6.378) 9.796 7.285 ( 11.938 -0.149 0.860) 11.970 7.855 ( 9.190 0.846 -2.177) 9.482 8.119 ( -4.723 1.277 1.932) 5.260 8.397 ( 6.507 0.589 3.055) 7.212 8.711 ( 1.814 0.242 -1.345) 2.271 8.947 ( -3.791 2.316 -0.268) 4.450 9.729 ( 1.537 12.120 0.608) 12.232 10.402 ( -8.395 9.617 0.510) 12.776 11.005 ( -6.810 17.675 -0.725) 18.955 11.251 ( -7.218 -5.349 0.093) 8.984 12.885 ( -7.723 1.328 0.755) 7.873 12.925 ( -10.642 0.223 -0.737) 10.670 13.055 ( -11.517 3.436 -0.118) 12.019 ======================= Grid point 6 (7/105) ======================= q-point: ( 0.32 -0.32 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -8.552 6.592 0.000) 10.798 2.101 ( -6.026 5.882 0.000) 8.421 2.443 ( -10.867 -3.296 -0.000) 11.356 2.449 ( -10.719 0.138 0.000) 10.720 2.576 ( -0.482 -8.742 -0.000) 8.755 2.597 ( -2.935 -1.873 -0.000) 3.481 2.664 ( -3.838 1.707 0.000) 4.201 2.750 ( -6.821 -0.310 -0.000) 6.828 2.993 ( -3.004 1.324 0.000) 3.283 3.017 ( -8.582 9.602 0.000) 12.879 3.526 ( 6.265 -4.286 -0.000) 7.591 3.563 ( -1.861 -3.697 -0.000) 4.139 3.746 ( -7.044 -0.156 0.000) 7.046 3.866 ( -10.580 -1.704 -0.000) 10.717 4.136 ( -9.844 12.727 0.000) 16.090 4.301 ( -6.530 10.015 0.000) 11.956 4.521 ( 3.692 8.755 0.000) 9.502 4.539 ( 13.451 10.724 0.000) 17.203 4.815 ( -7.410 8.690 0.000) 11.420 4.831 ( -10.603 9.925 0.000) 14.523 4.850 ( -20.019 9.462 0.000) 22.143 5.074 ( -7.352 6.219 0.000) 9.629 5.238 ( -16.581 6.329 0.000) 17.748 5.562 ( -5.231 23.364 0.000) 23.943 5.789 ( -14.443 6.423 0.000) 15.807 6.430 ( -9.451 10.678 0.000) 14.259 6.459 ( 4.557 -1.962 -0.000) 4.961 6.897 ( 2.518 9.464 0.000) 9.794 6.999 ( -5.108 9.218 0.000) 10.538 7.870 ( 3.281 8.630 0.000) 9.232 8.127 ( 19.922 0.274 -0.000) 19.924 8.365 ( -1.283 4.844 0.000) 5.011 8.373 ( -1.898 1.708 0.000) 2.553 8.456 ( -10.911 3.045 0.000) 11.328 8.708 ( 5.244 -3.883 -0.000) 6.525 8.871 ( 21.782 15.099 0.000) 26.503 9.574 ( -2.787 19.259 0.000) 19.459 10.135 ( 2.366 20.249 0.000) 20.387 10.178 ( 13.231 26.681 0.000) 29.781 11.372 ( 17.785 16.845 0.000) 24.496 11.648 ( 9.737 26.390 0.000) 28.129 12.738 ( 2.647 4.274 0.000) 5.028 ======================= Grid point 7 (8/105) ======================= q-point: ( 0.21 0.29 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 14.834 0.258 3.561) 15.258 2.086 ( 9.202 5.568 7.137) 12.908 2.254 ( 13.306 0.122 -9.065) 16.101 2.454 ( 6.108 6.951 -5.738) 10.888 2.610 ( 3.253 1.679 -1.089) 3.819 2.689 ( 2.599 -4.234 2.356) 5.498 2.719 ( 5.995 0.822 0.739) 6.096 2.788 ( 2.558 -0.432 4.655) 5.329 2.891 ( 3.661 -1.752 1.541) 4.341 3.077 ( -0.148 -2.982 3.843) 4.866 3.368 ( 0.198 -1.709 -11.427) 11.556 3.494 ( -0.004 0.373 -12.522) 12.527 3.859 ( -1.199 2.510 12.112) 12.428 3.894 ( 13.576 11.555 2.914) 18.064 3.988 ( 2.409 15.538 1.383) 15.784 4.047 ( 4.445 9.030 9.990) 14.181 4.221 ( 1.876 13.621 -4.613) 14.503 4.345 ( 2.945 5.186 -4.532) 7.490 4.511 ( 10.384 9.188 -3.468) 14.292 4.602 ( 7.206 8.528 -0.673) 11.185 4.653 ( 13.447 8.005 -0.466) 15.656 4.896 ( 0.405 13.010 0.974) 13.053 4.996 ( 8.779 25.625 -1.502) 27.128 5.167 ( 10.766 9.507 4.626) 15.089 5.660 ( 15.009 9.282 2.443) 17.816 6.138 ( 8.033 13.026 -3.577) 15.716 6.396 ( -3.966 2.294 -5.120) 6.870 6.674 ( -5.630 8.779 1.292) 10.508 6.815 ( 0.418 10.345 0.193) 10.355 7.636 ( -5.629 15.276 4.118) 16.793 8.110 ( -5.252 5.074 2.212) 7.630 8.172 ( -1.923 6.715 -4.686) 8.411 8.319 ( 2.306 5.712 -3.218) 6.950 8.375 ( 7.807 4.509 2.841) 9.453 8.592 ( -6.788 14.365 3.070) 16.182 8.750 ( -13.031 2.247 -1.181) 13.276 9.006 ( 4.845 26.188 -6.170) 27.338 9.576 ( -24.511 28.296 7.274) 38.136 9.726 ( 2.821 23.779 4.014) 24.280 10.550 ( -21.543 23.867 -24.101) 40.182 11.640 ( -13.293 13.135 29.471) 34.897 12.528 ( -7.185 3.777 -13.822) 16.029 ======================= Grid point 8 (9/105) ======================= q-point: ( 0.09 -0.09 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -18.780 16.688 0.000) 25.123 0.819 ( -18.470 18.353 0.000) 26.038 1.554 ( -36.011 34.810 0.000) 50.085 1.836 ( -10.813 3.358 0.000) 11.322 1.883 ( -3.939 3.133 0.000) 5.033 1.897 ( -12.235 6.404 0.000) 13.810 1.987 ( -3.187 -1.018 -0.000) 3.346 2.381 ( -17.856 4.669 0.000) 18.457 2.526 ( -8.196 0.885 0.000) 8.243 2.661 ( -7.985 -2.207 -0.000) 8.284 3.175 ( 0.665 4.182 0.000) 4.234 3.175 ( 0.983 -2.493 -0.000) 2.680 3.222 ( -0.484 -4.181 -0.000) 4.209 3.287 ( -5.668 1.439 0.000) 5.848 3.404 ( -0.867 0.094 0.000) 0.872 3.576 ( -9.410 0.665 0.000) 9.433 3.655 ( -2.022 5.731 0.000) 6.077 3.660 ( -1.123 21.995 0.000) 22.024 3.919 ( 0.523 9.628 0.000) 9.642 4.105 ( 1.249 8.459 0.000) 8.551 4.319 ( -9.442 5.412 0.000) 10.883 4.523 ( -4.252 1.729 0.000) 4.590 4.535 ( -6.200 9.204 0.000) 11.097 4.616 ( -16.811 7.314 0.000) 18.333 4.917 ( -2.355 -1.198 -0.000) 2.642 5.111 ( -1.505 12.533 0.000) 12.623 5.395 ( 1.626 11.473 0.000) 11.587 6.060 ( 2.842 25.491 0.000) 25.648 7.134 ( 0.805 9.154 0.000) 9.189 7.223 ( 3.895 -5.275 -0.000) 6.557 7.676 ( 0.045 6.695 0.000) 6.695 7.901 ( -8.139 0.484 0.000) 8.154 8.043 ( -18.284 -1.343 -0.000) 18.333 8.146 ( -6.914 0.618 0.000) 6.941 8.433 ( -2.464 9.772 0.000) 10.078 8.586 ( 6.638 15.932 0.000) 17.260 8.707 ( 0.499 12.649 0.000) 12.659 9.833 ( 8.675 11.625 0.000) 14.505 10.833 ( 11.177 6.859 0.000) 13.113 12.500 ( 19.335 3.279 0.000) 19.611 12.748 ( 21.906 1.714 0.000) 21.973 13.031 ( 8.010 2.263 0.000) 8.324 ======================= Grid point 9 (10/105) ======================= q-point: (-0.02 -0.48 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -4.917 -0.000 -3.031) 5.776 2.512 ( -3.828 0.000 1.880) 4.265 2.561 ( -0.957 0.000 0.235) 0.985 2.624 ( 5.239 0.000 2.090) 5.640 2.679 ( -1.162 0.000 1.093) 1.596 2.690 ( -6.736 0.000 -0.957) 6.804 2.798 ( -6.392 0.000 0.845) 6.448 2.825 ( -4.439 0.000 0.779) 4.506 2.844 ( 3.050 -0.000 0.546) 3.098 3.083 ( -0.900 -0.000 -1.268) 1.555 3.109 ( -0.300 -0.000 -3.598) 3.611 3.148 ( 4.764 0.000 1.620) 5.032 3.203 ( 5.860 -0.000 0.768) 5.910 3.252 ( 10.150 -0.000 -0.853) 10.185 3.943 ( 3.949 -0.000 0.533) 3.985 4.066 ( 1.343 -0.000 -0.222) 1.362 4.248 ( -3.590 -0.000 -2.821) 4.565 4.282 ( -2.002 0.000 3.321) 3.878 4.336 ( -2.331 0.000 1.359) 2.698 4.513 ( -0.056 -0.000 -2.439) 2.440 4.647 ( -2.096 -0.000 -2.243) 3.069 4.705 ( -1.431 0.000 1.683) 2.209 5.067 ( -4.090 -0.000 -1.421) 4.330 5.163 ( -21.318 0.000 2.327) 21.444 5.605 ( 21.231 -0.000 -0.652) 21.241 5.799 ( -0.627 0.000 0.427) 0.758 5.831 ( 1.428 0.000 2.415) 2.806 6.247 ( -1.058 0.000 2.518) 2.731 6.340 ( 4.290 -0.000 0.245) 4.297 7.076 ( 1.893 -0.000 -7.751) 7.978 7.687 ( 8.868 -0.000 -5.635) 10.506 7.694 ( 1.375 -0.000 -0.380) 1.427 7.829 ( 1.188 0.000 0.563) 1.315 7.971 ( -1.395 0.000 -0.027) 1.395 8.168 ( 0.807 -0.000 -0.092) 0.813 8.315 ( 1.346 -0.000 -2.068) 2.467 8.581 ( 8.024 0.000 9.692) 12.582 8.647 ( -2.664 0.000 2.277) 3.505 9.340 ( -9.515 0.000 8.075) 12.479 10.092 ( 0.403 -0.000 -1.737) 1.783 11.199 ( -5.869 -0.000 -17.089) 18.069 11.970 ( 9.837 0.000 10.339) 14.271 ======================= Grid point 10 (11/105) ======================= q-point: (-0.13 0.13 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 19.130 -10.274 -0.000) 21.714 1.225 ( 20.845 -6.706 -0.000) 21.897 1.981 ( 6.697 -2.533 -0.000) 7.160 2.086 ( 6.843 0.563 0.000) 6.867 2.114 ( 13.685 -5.144 -0.000) 14.620 2.146 ( 13.777 -5.384 -0.000) 14.791 2.377 ( 35.463 -18.958 -0.000) 40.213 2.669 ( 11.680 2.981 0.000) 12.055 2.807 ( 4.927 8.059 0.000) 9.445 2.819 ( 18.536 -5.219 -0.000) 19.257 3.159 ( -0.440 6.887 0.000) 6.901 3.207 ( 3.719 -2.416 -0.000) 4.435 3.304 ( 6.806 -5.427 -0.000) 8.705 3.402 ( 1.788 -0.032 -0.000) 1.788 3.566 ( 17.323 -5.012 -0.000) 18.034 3.629 ( 1.876 -6.448 -0.000) 6.715 3.718 ( 6.237 -22.122 -0.000) 22.985 3.825 ( 3.665 0.120 0.000) 3.667 3.944 ( 7.174 -8.786 -0.000) 11.343 4.042 ( -2.933 -10.534 -0.000) 10.934 4.442 ( -2.661 -0.495 -0.000) 2.707 4.642 ( 16.801 -6.869 -0.000) 18.151 4.760 ( 7.384 -2.957 -0.000) 7.954 4.874 ( 0.039 -4.220 -0.000) 4.220 4.900 ( -3.383 -1.179 -0.000) 3.583 5.440 ( 31.404 -13.942 -0.000) 34.360 5.444 ( 9.337 -10.681 -0.000) 14.187 6.289 ( 18.086 -13.908 -0.000) 22.815 7.083 ( -9.930 2.005 0.000) 10.131 7.145 ( 4.710 -15.423 -0.000) 16.126 7.691 ( 0.719 -2.563 -0.000) 2.662 8.056 ( 4.355 -2.718 -0.000) 5.134 8.191 ( -1.932 -8.697 -0.000) 8.909 8.228 ( 4.566 -4.321 -0.000) 6.286 8.416 ( -8.034 -12.566 -0.000) 14.915 8.488 ( 1.285 -7.534 -0.000) 7.643 8.741 ( 5.272 -19.049 -0.000) 19.765 9.581 ( -15.554 -8.560 -0.000) 17.754 10.460 ( -25.406 -8.504 -0.000) 26.792 11.967 ( -30.288 -5.065 -0.000) 30.708 12.142 ( -35.294 -4.096 -0.000) 35.531 12.908 ( -4.914 1.003 0.000) 5.015 ======================= Grid point 11 (12/105) ======================= q-point: (-0.25 -0.25 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -14.609 -4.382 -1.725) 15.350 1.886 ( -10.663 -9.852 -10.406) 17.862 1.981 ( -12.676 -0.633 11.716) 17.273 2.318 ( -7.522 -7.789 6.914) 12.847 2.471 ( -8.784 -5.724 -3.261) 10.980 2.595 ( -4.467 4.497 -1.930) 6.626 2.664 ( -5.880 -2.244 -4.597) 7.794 2.698 ( -3.554 5.847 -1.301) 6.965 2.834 ( -2.770 8.472 2.649) 9.298 3.056 ( -2.475 4.982 -6.136) 8.282 3.254 ( -9.028 0.136 13.756) 16.455 3.432 ( -10.222 -1.886 8.653) 13.525 3.572 ( -15.590 -12.232 -1.174) 19.851 3.732 ( -10.589 -5.612 -0.587) 11.998 3.832 ( -10.643 -7.716 -4.531) 13.905 3.952 ( -7.282 -14.367 -2.980) 16.380 4.027 ( -16.269 -2.220 -0.333) 16.424 4.258 ( -8.798 -8.291 2.744) 12.397 4.354 ( -6.603 -13.345 -0.714) 14.906 4.451 ( 1.755 -12.367 -2.371) 12.714 4.501 ( -1.126 -13.730 0.765) 13.798 4.926 ( -0.048 -8.893 -2.438) 9.221 4.943 ( -5.428 -5.038 -3.264) 8.093 4.994 ( 0.613 -15.557 3.442) 15.945 5.336 ( -13.897 -12.594 -5.151) 19.449 5.905 ( -14.234 -12.754 3.252) 19.387 6.234 ( -19.309 -9.166 5.226) 22.004 6.689 ( -9.895 -9.527 0.890) 13.765 6.856 ( 9.961 -1.523 -0.488) 10.089 7.770 ( 5.985 -7.761 -0.977) 9.849 7.839 ( -18.522 -11.802 -3.658) 22.266 8.151 ( -6.587 -5.772 4.456) 9.826 8.377 ( 5.026 -5.935 -1.718) 7.964 8.394 ( 5.202 -9.482 0.179) 10.817 8.652 ( 0.239 -9.307 -4.637) 10.401 8.909 ( -4.000 -25.862 -0.232) 26.171 9.085 ( 14.441 -11.806 6.701) 19.819 9.602 ( 0.956 -29.469 1.299) 29.514 10.221 ( 29.817 -18.186 -7.067) 35.634 11.212 ( 38.960 -16.683 15.910) 45.269 11.984 ( 19.725 -10.375 -21.468) 30.945 12.668 ( 6.696 -1.715 11.397) 13.330 ======================= Grid point 12 (13/105) ======================= q-point: (-0.36 0.36 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 4.535 -2.728 -0.000) 5.292 2.277 ( 9.553 0.112 -0.000) 9.553 2.566 ( 1.044 5.116 0.000) 5.222 2.588 ( 0.789 5.640 0.000) 5.695 2.643 ( 7.097 -0.733 -0.000) 7.135 2.724 ( 7.564 0.461 0.000) 7.578 2.775 ( 7.879 -8.128 -0.000) 11.320 2.914 ( 9.152 -3.273 -0.000) 9.720 3.004 ( -1.416 1.500 0.000) 2.062 3.189 ( 7.614 -5.539 -0.000) 9.415 3.357 ( -8.412 1.320 0.000) 8.515 3.527 ( -3.840 -0.750 -0.000) 3.912 3.850 ( 2.295 -2.434 -0.000) 3.346 4.029 ( 2.583 -4.728 -0.000) 5.387 4.183 ( -5.244 -6.015 -0.000) 7.980 4.270 ( -9.750 -4.070 -0.000) 10.565 4.417 ( 4.340 -9.564 -0.000) 10.503 4.538 ( 6.264 -9.653 -0.000) 11.508 4.947 ( 4.788 -11.486 -0.000) 12.444 5.018 ( 7.614 -12.204 -0.000) 14.384 5.181 ( 12.364 -5.836 -0.000) 13.672 5.222 ( 5.930 -9.454 -0.000) 11.160 5.546 ( 12.104 -11.172 -0.000) 16.472 5.753 ( 12.192 -17.694 -0.000) 21.488 6.014 ( 7.037 -5.920 -0.000) 9.196 6.358 ( -4.144 -3.744 -0.000) 5.585 6.573 ( 4.498 -10.691 -0.000) 11.598 6.795 ( -7.004 -12.911 -0.000) 14.688 7.015 ( -3.619 -7.914 -0.000) 8.702 7.668 ( -20.083 4.674 0.000) 20.620 7.755 ( -7.028 -14.813 -0.000) 16.396 8.178 ( -19.395 3.397 0.000) 19.691 8.299 ( -3.596 -4.063 -0.000) 5.426 8.572 ( 3.271 -5.891 -0.000) 6.738 8.735 ( 10.882 -4.386 -0.000) 11.733 8.746 ( -1.565 -3.741 -0.000) 4.055 9.544 ( -4.547 -17.004 -0.000) 17.602 10.079 ( 1.393 -29.401 -0.000) 29.434 10.085 ( -2.656 -18.844 -0.000) 19.031 11.095 ( -9.241 -19.718 -0.000) 21.776 11.589 ( 2.994 -26.952 -0.000) 27.117 12.674 ( -3.755 -8.995 -0.000) 9.748 ======================= Grid point 13 (14/105) ======================= q-point: (-0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.000 -7.342 -1.637) 7.523 1.928 ( 0.000 -8.493 -2.184) 8.769 2.050 ( 0.000 -4.234 1.584) 4.521 2.163 ( 0.000 -9.043 1.341) 9.142 2.225 ( 0.000 -2.024 -0.240) 2.039 2.317 ( 0.000 -4.835 -0.622) 4.875 2.487 ( 0.000 -2.274 2.185) 3.153 2.519 ( -0.000 1.803 -0.143) 1.808 2.530 ( -0.000 0.644 0.260) 0.695 2.614 ( -0.000 8.748 -2.131) 9.004 2.694 ( 0.000 -7.506 -0.150) 7.508 2.735 ( -0.000 7.892 1.281) 7.995 2.798 ( -0.000 12.988 0.854) 13.016 2.898 ( -0.000 10.674 0.088) 10.675 3.595 ( 0.000 -20.779 -8.986) 22.639 3.730 ( 0.000 -5.329 -0.597) 5.363 4.006 ( -0.000 10.718 6.238) 12.401 4.398 ( -0.000 -14.085 24.355) 28.134 4.593 ( 0.000 -2.596 -1.871) 3.200 4.612 ( 0.000 1.861 -14.759) 14.876 4.771 ( 0.000 -4.244 0.905) 4.339 5.162 ( 0.000 -6.063 1.132) 6.168 5.215 ( 0.000 -4.085 0.567) 4.124 5.306 ( 0.000 -3.721 -0.571) 3.765 5.314 ( 0.000 -4.749 -6.983) 8.445 5.685 ( 0.000 -4.794 -3.428) 5.893 5.818 ( -0.000 -0.403 6.970) 6.981 6.663 ( -0.000 -7.556 10.446) 12.892 7.112 ( 0.000 -0.494 -0.368) 0.616 7.167 ( 0.000 4.571 -7.679) 8.936 7.752 ( -0.000 -0.747 2.062) 2.193 8.176 ( 0.000 -1.488 -1.910) 2.422 8.319 ( 0.000 -0.468 -2.889) 2.927 8.683 ( -0.000 -0.111 1.331) 1.335 8.985 ( 0.000 -2.526 0.128) 2.529 9.713 ( 0.000 -12.472 -0.789) 12.497 10.486 ( 0.000 -10.376 -1.201) 10.446 11.078 ( 0.000 -17.292 1.570) 17.363 11.327 ( -0.000 5.665 -0.407) 5.680 12.955 ( 0.000 -0.167 -1.511) 1.521 13.034 ( -0.000 1.261 1.655) 2.081 13.195 ( 0.000 -4.321 -0.021) 4.321 ======================= Grid point 14 (15/105) ======================= q-point: ( 0.41 -0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -3.570 1.115 0.000) 3.740 2.336 ( -3.061 5.230 0.000) 6.060 2.467 ( -4.805 -3.181 -0.000) 5.763 2.481 ( -2.268 -3.645 -0.000) 4.293 2.640 ( -8.592 -1.186 -0.000) 8.674 2.691 ( -8.132 -2.354 -0.000) 8.466 2.904 ( -3.965 -0.261 -0.000) 3.974 2.980 ( -2.036 2.895 0.000) 3.539 2.998 ( -10.861 3.671 0.000) 11.465 3.165 ( 1.491 -3.939 -0.000) 4.212 3.463 ( 0.591 7.515 0.000) 7.538 3.579 ( -0.703 3.114 0.000) 3.193 3.800 ( -2.298 -5.390 -0.000) 5.860 4.008 ( -7.965 -4.837 -0.000) 9.319 4.295 ( 9.880 4.323 0.000) 10.784 4.330 ( 13.206 2.942 0.000) 13.529 4.620 ( -1.735 6.792 0.000) 7.010 4.707 ( -7.748 5.714 0.000) 9.627 5.149 ( -7.865 6.458 0.000) 10.176 5.190 ( -10.671 -3.771 -0.000) 11.318 5.200 ( -9.561 4.676 0.000) 10.643 5.341 ( -7.522 1.581 0.000) 7.686 5.732 ( -13.827 5.548 0.000) 14.898 6.051 ( -5.753 10.975 0.000) 12.391 6.101 ( -8.067 1.896 0.000) 8.287 6.385 ( -1.630 -1.405 -0.000) 2.152 6.731 ( -4.100 4.118 0.000) 5.811 7.001 ( 2.442 4.370 0.000) 5.006 7.123 ( 4.920 1.677 0.000) 5.198 7.604 ( 24.383 0.358 -0.000) 24.386 7.933 ( 3.923 3.481 0.000) 5.245 8.108 ( 17.514 -3.368 -0.000) 17.835 8.382 ( 5.123 3.781 0.000) 6.367 8.655 ( -3.282 1.631 0.000) 3.666 8.779 ( -11.137 0.307 0.000) 11.141 8.822 ( 6.402 2.976 0.000) 7.060 9.760 ( 3.355 3.755 0.000) 5.035 10.383 ( 2.429 8.591 0.000) 8.928 10.506 ( -0.797 10.578 0.000) 10.608 11.398 ( 7.243 6.900 0.000) 10.004 12.048 ( 0.150 15.224 0.000) 15.224 12.813 ( -0.687 2.681 0.000) 2.768 ======================= Grid point 15 (16/105) ======================= q-point: ( 0.30 0.20 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 8.534 9.232 -2.516) 12.822 2.014 ( 10.201 2.987 -9.432) 14.211 2.108 ( 7.170 10.684 9.677) 16.100 2.419 ( 7.617 -0.156 4.092) 8.648 2.507 ( 3.550 -3.566 -0.599) 5.067 2.526 ( 2.703 -6.064 0.109) 6.640 2.601 ( 6.204 2.360 -2.806) 7.206 2.671 ( 4.756 -0.288 0.520) 4.793 2.774 ( 7.688 -0.579 2.635) 8.147 2.984 ( 6.618 0.259 6.267) 9.118 3.209 ( 9.557 -3.578 -13.038) 16.557 3.379 ( 5.734 -2.300 -12.750) 14.168 3.683 ( 12.314 -5.116 9.471) 16.356 3.857 ( 10.135 -4.951 9.052) 14.463 3.873 ( 15.267 11.566 0.016) 19.154 4.204 ( 5.349 12.369 1.505) 13.560 4.284 ( 24.484 16.732 -5.675) 30.193 4.503 ( 12.566 11.126 -6.459) 17.983 4.571 ( 2.192 7.879 -1.751) 8.364 4.675 ( -1.959 7.964 1.770) 8.390 4.752 ( -7.226 10.784 -3.386) 13.416 4.989 ( 15.066 0.746 4.469) 15.733 5.080 ( -1.552 4.911 7.453) 9.060 5.355 ( 11.839 13.731 -4.926) 18.787 5.661 ( 3.685 18.562 6.894) 20.141 6.164 ( 14.418 11.033 -2.249) 18.293 6.376 ( 9.599 2.914 -6.194) 11.790 6.835 ( 4.735 3.891 0.554) 6.154 6.931 ( 4.040 6.095 0.042) 7.312 7.896 ( -2.206 4.338 0.855) 4.941 8.001 ( 20.320 4.445 2.537) 20.955 8.258 ( 8.488 4.319 -3.604) 10.183 8.465 ( -5.551 3.649 3.447) 7.484 8.536 ( -12.024 3.708 -1.933) 12.730 8.734 ( 0.967 -0.763 0.470) 1.318 9.413 ( -23.381 16.803 -0.278) 28.794 9.461 ( 4.319 24.130 -0.667) 24.522 10.196 ( -4.692 25.645 -0.333) 26.073 10.593 ( -20.521 14.768 2.258) 25.383 11.633 ( -30.916 21.386 -10.111) 38.928 12.214 ( -15.680 10.693 14.820) 24.080 12.725 ( -4.904 3.393 -6.946) 9.155 ======================= Grid point 16 (17/105) ======================= q-point: ( 0.19 -0.19 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -12.659 14.074 0.000) 18.930 1.490 ( -13.112 14.637 0.000) 19.652 2.024 ( -7.583 1.631 0.000) 7.756 2.055 ( -7.243 -1.272 -0.000) 7.354 2.268 ( -14.134 9.068 0.000) 16.793 2.305 ( -12.176 8.367 0.000) 14.774 2.538 ( -5.207 -1.397 -0.000) 5.391 2.658 ( -1.925 -6.309 -0.000) 6.596 2.757 ( -14.221 3.213 0.000) 14.579 2.966 ( 2.497 -10.814 -0.000) 11.099 3.077 ( -23.855 20.357 0.000) 31.360 3.295 ( -8.524 0.733 0.000) 8.555 3.302 ( -12.675 -4.044 -0.000) 13.305 3.368 ( -8.294 4.107 0.000) 9.255 3.586 ( -17.910 -0.517 -0.000) 17.918 3.740 ( -9.077 -5.778 -0.000) 10.759 3.862 ( -0.519 12.594 0.000) 12.604 4.207 ( -4.097 13.187 0.000) 13.809 4.263 ( -4.379 22.796 0.000) 23.212 4.339 ( 2.943 17.028 0.000) 17.281 4.549 ( 1.226 9.839 0.000) 9.915 4.754 ( -5.636 -0.303 -0.000) 5.644 4.827 ( -11.955 10.107 0.000) 15.655 4.978 ( -4.819 5.412 0.000) 7.247 5.135 ( -1.011 17.656 0.000) 17.685 5.701 ( -7.314 13.100 0.000) 15.003 5.772 ( -26.335 16.339 0.000) 30.992 6.562 ( -9.490 11.597 0.000) 14.985 7.016 ( 6.457 -4.356 -0.000) 7.789 7.451 ( -11.939 10.325 0.000) 15.785 7.789 ( 1.669 6.009 0.000) 6.236 8.109 ( -8.614 1.986 0.000) 8.840 8.284 ( -3.801 4.158 0.000) 5.633 8.497 ( -0.523 16.243 0.000) 16.251 8.637 ( 3.387 8.043 0.000) 8.727 8.802 ( -4.185 21.849 0.000) 22.246 9.284 ( 1.728 28.980 0.000) 29.031 9.874 ( 16.691 19.771 0.000) 25.874 10.704 ( 21.807 13.941 0.000) 25.883 12.122 ( 28.343 9.865 0.000) 30.011 12.276 ( 30.984 8.575 0.000) 32.148 12.892 ( 6.205 -0.582 -0.000) 6.233 ======================= Grid point 17 (18/105) ======================= q-point: ( 0.07 0.43 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 3.939 -0.349 2.658) 4.765 2.521 ( 2.890 -0.035 -1.890) 3.453 2.583 ( 0.925 1.234 1.194) 1.950 2.606 ( 0.198 1.859 1.293) 2.273 2.702 ( 1.631 4.731 -1.336) 5.179 2.772 ( -1.332 -2.275 -0.924) 2.794 2.823 ( 10.820 1.296 0.090) 10.898 2.863 ( 5.774 6.638 -2.209) 9.071 3.055 ( 0.755 7.420 0.330) 7.465 3.081 ( -3.708 1.498 -2.012) 4.477 3.123 ( 3.582 7.415 -2.117) 8.502 3.211 ( -6.746 -1.589 -1.979) 7.208 3.301 ( -7.679 14.975 5.077) 17.579 3.367 ( -8.538 10.876 1.712) 13.932 4.018 ( -0.577 6.275 1.909) 6.584 4.049 ( -0.534 0.103 0.795) 0.963 4.254 ( 0.848 2.833 -0.929) 3.099 4.339 ( 0.440 1.897 -0.577) 2.031 4.402 ( 2.762 13.534 -1.882) 13.941 4.664 ( 1.687 1.995 1.274) 2.906 4.767 ( 2.142 12.020 -0.145) 12.210 4.770 ( 2.266 11.734 0.090) 11.951 5.177 ( 2.731 10.163 1.111) 10.582 5.334 ( 19.716 14.414 -2.036) 24.508 5.713 ( -16.565 9.076 1.748) 18.969 5.875 ( 0.016 7.163 -0.674) 7.195 5.924 ( -2.417 8.651 -2.599) 9.351 6.319 ( 1.495 6.590 -2.053) 7.062 6.419 ( -5.214 7.351 -1.184) 9.090 7.151 ( -2.621 7.386 7.154) 10.611 7.662 ( -6.884 -1.456 4.760) 8.495 7.926 ( -0.316 4.675 -1.018) 4.795 8.034 ( -1.889 23.840 -0.817) 23.928 8.083 ( -0.976 14.094 1.850) 14.248 8.336 ( -2.012 10.677 1.519) 10.970 8.384 ( 0.159 12.823 3.340) 13.252 8.649 ( -0.212 4.515 -0.560) 4.555 8.677 ( -4.605 6.565 -12.267) 14.656 9.464 ( 8.496 12.126 -8.229) 16.940 10.172 ( -0.445 8.035 1.984) 8.289 11.262 ( 5.197 6.336 16.169) 18.127 12.023 ( -8.649 5.460 -9.728) 14.116 ======================= Grid point 18 (19/105) ======================= q-point: (-0.04 0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 27.439 0.000 -0.000) 27.439 0.617 ( 28.522 0.000 -0.000) 28.522 1.096 ( 52.056 0.000 -0.000) 52.056 1.794 ( 11.258 0.000 -0.000) 11.258 1.830 ( 11.537 0.000 -0.000) 11.537 1.852 ( 3.145 0.000 -0.000) 3.145 1.962 ( 7.187 0.000 -0.000) 7.187 2.436 ( 10.354 0.000 -0.000) 10.354 2.515 ( 8.185 0.000 -0.000) 8.185 2.689 ( 11.753 0.000 -0.000) 11.753 3.078 ( 11.527 0.000 -0.000) 11.527 3.162 ( 4.742 0.000 -0.000) 4.742 3.216 ( -1.718 -0.000 0.000) 1.718 3.218 ( -1.403 -0.000 0.000) 1.403 3.294 ( 1.331 0.000 -0.000) 1.331 3.525 ( 2.265 0.000 -0.000) 2.265 3.541 ( -1.845 -0.000 0.000) 1.845 3.643 ( 11.535 0.000 -0.000) 11.535 3.826 ( -1.535 -0.000 0.000) 1.535 3.978 ( -2.778 -0.000 0.000) 2.778 4.254 ( 11.127 0.000 -0.000) 11.127 4.420 ( 18.578 0.000 -0.000) 18.578 4.501 ( -0.666 -0.000 0.000) 0.666 4.574 ( 25.227 0.000 -0.000) 25.227 4.948 ( -4.131 -0.000 0.000) 4.131 5.037 ( -2.610 -0.000 0.000) 2.610 5.212 ( -2.256 -0.000 0.000) 2.256 5.622 ( 17.771 0.000 -0.000) 17.771 7.014 ( -3.420 -0.000 0.000) 3.420 7.292 ( -6.359 -0.000 0.000) 6.359 7.603 ( 3.479 0.000 -0.000) 3.479 7.895 ( 7.819 0.000 -0.000) 7.819 8.082 ( 5.925 0.000 -0.000) 5.925 8.152 ( -2.932 -0.000 0.000) 2.932 8.322 ( -3.179 -0.000 0.000) 3.179 8.509 ( -2.522 -0.000 0.000) 2.522 8.640 ( -6.717 -0.000 0.000) 6.717 9.709 ( -7.121 -0.000 0.000) 7.121 10.752 ( -12.014 -0.000 0.000) 12.014 12.460 ( -20.438 -0.000 0.000) 20.438 12.731 ( -22.892 -0.000 0.000) 22.892 12.972 ( -1.315 -0.000 0.000) 1.315 ======================= Grid point 19 (20/105) ======================= q-point: (-0.15 -0.35 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -11.541 -3.510 -8.519) 14.768 2.065 ( -18.408 1.389 -2.171) 18.587 2.237 ( -12.365 -1.292 6.425) 13.995 2.330 ( -7.962 -4.473 6.700) 11.327 2.516 ( -5.966 -4.534 -1.942) 7.740 2.641 ( -1.885 -6.113 -7.006) 9.487 2.748 ( -1.380 3.001 1.163) 3.502 2.870 ( 1.800 8.001 -1.333) 8.309 3.054 ( 1.790 9.529 1.542) 9.817 3.153 ( 2.064 3.205 2.136) 4.369 3.244 ( -0.145 -10.287 8.777) 13.523 3.491 ( -0.957 -3.761 -0.002) 3.881 3.552 ( 2.553 -18.916 -2.959) 19.315 3.694 ( 3.567 -8.121 -4.981) 10.173 3.768 ( -16.579 -5.565 0.480) 17.495 3.835 ( -15.220 -8.691 3.955) 17.967 4.079 ( 0.538 -2.246 -4.995) 5.504 4.254 ( -7.392 -3.409 5.459) 9.801 4.353 ( -18.286 -21.725 1.019) 28.414 4.411 ( -2.037 -1.644 -2.677) 3.744 4.476 ( -9.748 -3.369 -1.322) 10.398 4.590 ( -0.945 -1.501 1.828) 2.547 4.710 ( 0.855 -9.731 -2.780) 10.156 4.941 ( -5.432 -11.914 -2.967) 13.426 5.491 ( -16.272 -6.170 -0.567) 17.412 5.908 ( -7.721 -8.145 4.648) 12.148 6.345 ( 0.640 -1.790 4.808) 5.170 6.513 ( 11.843 -6.138 -1.553) 13.429 6.620 ( 0.161 -7.733 -0.675) 7.764 7.324 ( 9.914 -12.439 -8.618) 18.091 7.944 ( -10.924 -7.843 2.581) 13.693 8.008 ( 3.593 -10.397 1.385) 11.087 8.153 ( 1.512 -13.095 -0.442) 13.189 8.227 ( -2.428 -4.726 6.221) 8.181 8.388 ( -3.655 -4.711 -2.456) 6.448 8.497 ( -3.442 -19.518 2.971) 20.041 8.654 ( 14.717 -5.265 5.933) 16.719 9.143 ( 34.744 -11.309 -14.227) 39.210 9.328 ( -10.052 -13.125 -3.832) 16.970 10.211 ( 26.208 -8.887 28.537) 39.752 11.440 ( 14.843 -5.967 -33.131) 36.791 12.487 ( 9.680 -0.574 15.890) 18.615 ======================= Grid point 20 (21/105) ======================= q-point: (-0.26 0.26 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 9.707 -6.005 -0.000) 11.414 2.020 ( 15.062 -0.371 -0.000) 15.066 2.417 ( 9.536 -2.901 -0.000) 9.967 2.447 ( 10.492 -2.427 -0.000) 10.769 2.602 ( 3.478 -4.233 -0.000) 5.478 2.655 ( 0.711 3.330 0.000) 3.405 2.717 ( 4.207 -0.817 -0.000) 4.285 2.745 ( 5.333 -1.543 -0.000) 5.551 2.904 ( 1.145 5.457 0.000) 5.575 3.023 ( 1.935 5.204 0.000) 5.552 3.597 ( 1.442 -2.934 -0.000) 3.269 3.613 ( -5.725 2.718 0.000) 6.338 3.694 ( 3.701 -6.926 -0.000) 7.852 3.850 ( 4.372 -3.759 -0.000) 5.766 3.891 ( 10.729 -7.371 -0.000) 13.017 3.976 ( 0.630 -19.101 -0.000) 19.112 4.267 ( 3.692 -14.610 -0.000) 15.070 4.388 ( -1.818 -3.041 -0.000) 3.543 4.590 ( 8.393 -12.137 -0.000) 14.757 4.592 ( 17.578 -12.341 -0.000) 21.478 4.636 ( 10.779 -8.839 -0.000) 13.940 4.904 ( 2.539 -9.961 -0.000) 10.279 5.013 ( 7.081 -26.560 -0.000) 27.488 5.098 ( 10.462 -8.705 -0.000) 13.610 5.632 ( 15.478 -7.989 -0.000) 17.418 6.181 ( 9.403 -12.128 -0.000) 15.347 6.459 ( -7.202 -1.478 -0.000) 7.352 6.676 ( -5.228 -10.722 -0.000) 11.928 6.789 ( 5.150 -10.317 -0.000) 11.531 7.589 ( -12.283 -17.487 -0.000) 21.370 8.084 ( -7.059 -4.617 -0.000) 8.435 8.259 ( 0.221 -5.885 -0.000) 5.890 8.298 ( 6.239 -5.717 -0.000) 8.462 8.374 ( 6.938 -4.389 -0.000) 8.210 8.562 ( -6.505 -12.868 -0.000) 14.419 8.761 ( -17.323 0.643 0.000) 17.335 9.072 ( 8.763 -27.231 -0.000) 28.606 9.503 ( -25.274 -34.374 -0.000) 42.665 9.679 ( 4.146 -21.837 -0.000) 22.227 11.032 ( -20.877 -13.842 -0.000) 25.049 11.111 ( -15.675 -22.421 -0.000) 27.357 12.662 ( -6.537 -2.354 -0.000) 6.948 ======================= Grid point 21 (22/105) ======================= q-point: (-0.38 -0.12 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -2.792 -17.168 -1.164) 17.432 1.747 ( -7.052 -13.581 -3.795) 15.767 1.814 ( 0.050 -11.444 3.627) 12.005 2.083 ( -9.832 -7.929 3.191) 13.028 2.228 ( -5.611 -2.948 -6.985) 9.432 2.277 ( -7.491 -5.425 -2.385) 9.552 2.472 ( -1.598 -1.843 1.499) 2.862 2.541 ( 1.843 4.763 -0.282) 5.115 2.610 ( 0.910 3.484 2.081) 4.159 2.691 ( -9.877 4.247 9.103) 14.087 2.889 ( -0.132 7.523 -1.150) 7.612 2.993 ( -9.558 4.352 -0.279) 10.506 3.117 ( -9.727 -1.516 -4.962) 11.024 3.265 ( -15.872 -4.158 -1.557) 16.482 3.358 ( -14.817 2.471 -3.262) 15.372 3.486 ( 0.552 -11.833 0.920) 11.882 4.054 ( -2.848 -15.757 22.731) 27.805 4.196 ( -0.158 -6.805 -1.406) 6.951 4.387 ( -7.176 -7.408 10.369) 14.625 4.588 ( -0.574 -6.239 -10.193) 11.965 4.771 ( -11.488 -9.654 1.845) 15.119 4.956 ( 4.187 -11.799 -3.991) 13.141 5.006 ( 5.002 -11.553 0.890) 12.621 5.171 ( -2.796 -8.697 -12.063) 15.132 5.255 ( -13.336 -11.442 0.445) 17.578 5.659 ( -12.409 -12.447 -0.528) 17.584 5.835 ( -5.170 -9.323 6.024) 12.245 6.433 ( -2.464 -11.248 18.457) 21.755 7.133 ( 1.991 2.814 -7.604) 8.349 7.296 ( -7.419 1.116 -2.938) 8.057 7.823 ( -8.849 -2.203 6.094) 10.968 8.068 ( 4.003 -3.417 -6.234) 8.158 8.374 ( -6.018 -1.520 -7.953) 10.088 8.696 ( -1.112 -1.380 3.350) 3.789 8.838 ( 2.705 -8.698 -0.592) 9.128 9.281 ( -2.578 -28.106 -1.953) 28.292 10.017 ( 5.802 -26.383 -2.863) 27.164 10.548 ( 8.019 -24.924 4.989) 26.654 11.237 ( 8.319 -5.888 -0.915) 10.233 12.794 ( 15.495 -8.888 -0.498) 17.870 12.866 ( 12.605 -3.816 1.972) 13.317 13.018 ( 7.855 0.872 -0.827) 7.947 ======================= Grid point 22 (23/105) ======================= q-point: (-0.49 -0.51 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -0.291 0.969 0.000) 1.012 2.462 ( 1.853 6.048 0.000) 6.326 2.463 ( -3.114 0.271 0.000) 3.126 2.558 ( -2.833 1.014 0.000) 3.009 2.722 ( -4.029 -4.352 -0.000) 5.931 2.746 ( -5.027 -2.394 -0.000) 5.568 2.839 ( -0.981 -0.240 -0.000) 1.010 3.010 ( 0.061 -1.828 -0.000) 1.830 3.206 ( -3.303 -0.268 -0.000) 3.314 3.354 ( -8.960 2.780 0.000) 9.382 3.456 ( 6.468 -3.491 -0.000) 7.350 3.568 ( 8.834 1.369 0.000) 8.940 3.736 ( -12.495 -9.513 -0.000) 15.704 3.958 ( -0.390 -5.336 -0.000) 5.350 4.156 ( 10.319 4.079 0.000) 11.096 4.216 ( 4.774 4.114 0.000) 6.302 4.676 ( -0.058 -3.583 -0.000) 3.583 4.865 ( -1.874 -1.863 -0.000) 2.642 5.176 ( -6.293 -12.397 -0.000) 13.903 5.353 ( -3.788 -5.795 -0.000) 6.923 5.382 ( -3.155 3.028 0.000) 4.373 5.414 ( -4.136 -4.360 -0.000) 6.009 5.926 ( -3.819 -4.787 -0.000) 6.124 6.212 ( -3.846 -5.263 -0.000) 6.519 6.225 ( 0.272 -0.254 -0.000) 0.372 6.395 ( -2.720 -3.480 -0.000) 4.416 6.782 ( -0.045 -2.267 -0.000) 2.267 6.870 ( 0.246 -13.429 -0.000) 13.431 6.946 ( 2.142 -6.497 -0.000) 6.841 7.348 ( 12.064 10.875 0.000) 16.242 7.737 ( 5.185 -4.728 -0.000) 7.017 7.945 ( 5.815 3.937 0.000) 7.023 8.327 ( 3.610 -0.226 -0.000) 3.617 8.697 ( -1.225 -4.592 -0.000) 4.752 8.763 ( -1.036 -1.134 -0.000) 1.536 8.911 ( -4.031 -1.711 -0.000) 4.379 9.690 ( -0.635 -7.591 -0.000) 7.618 10.359 ( 0.938 -8.172 -0.000) 8.226 10.537 ( -0.056 -9.393 -0.000) 9.393 11.284 ( 0.008 -10.785 -0.000) 10.785 12.132 ( 2.893 -5.412 -0.000) 6.136 12.786 ( -2.134 -9.010 -0.000) 9.259 ======================= Grid point 24 (24/105) ======================= q-point: ( 0.40 0.10 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 2.909 10.278 -3.604) 11.273 2.020 ( 3.134 8.905 -3.365) 10.023 2.151 ( 6.869 4.086 3.630) 8.779 2.225 ( 4.016 -4.242 3.511) 6.815 2.363 ( 1.133 -3.513 3.615) 5.166 2.387 ( 1.834 -3.176 -2.974) 4.722 2.498 ( 6.277 0.486 -0.817) 6.348 2.560 ( 6.244 0.342 5.692) 8.455 2.608 ( 5.658 -0.883 -4.894) 7.533 2.797 ( 9.687 -2.775 -0.050) 10.077 2.949 ( 10.384 3.303 -3.857) 11.559 3.167 ( 13.590 -4.780 -2.063) 14.553 3.278 ( 15.483 1.518 2.337) 15.732 3.430 ( 15.300 -9.293 2.244) 18.041 3.784 ( 10.539 5.552 -0.944) 11.949 4.127 ( 20.452 14.758 -1.080) 25.244 4.363 ( 14.328 -1.475 2.087) 14.554 4.366 ( 3.238 7.015 -5.360) 9.404 4.601 ( 4.764 0.595 -3.713) 6.069 4.628 ( 4.102 -1.360 3.915) 5.831 4.962 ( -7.664 3.796 2.236) 8.840 5.106 ( -4.193 6.183 -7.257) 10.416 5.170 ( 2.070 2.149 3.919) 4.925 5.223 ( 7.008 1.617 5.193) 8.871 5.876 ( 19.193 7.175 2.057) 20.593 6.107 ( 5.247 8.374 -1.932) 10.069 6.187 ( 12.862 1.720 -2.071) 13.141 6.698 ( 8.459 1.918 -4.697) 9.864 6.942 ( -1.565 -1.908 3.176) 4.022 7.620 ( 19.751 0.503 0.764) 19.772 8.011 ( -3.722 0.955 1.337) 4.069 8.092 ( 11.450 1.286 -1.914) 11.680 8.530 ( 5.188 1.255 3.578) 6.426 8.719 ( -1.505 -0.266 -1.746) 2.320 8.821 ( -8.775 1.609 -0.549) 8.938 9.775 ( 2.824 11.089 0.272) 11.446 10.131 ( -18.069 8.085 -0.302) 19.798 10.824 ( -10.047 17.308 0.147) 20.013 11.044 ( -12.541 -3.476 -0.129) 13.015 12.526 ( -25.199 6.422 -1.418) 26.043 12.659 ( -14.206 2.426 1.649) 14.506 12.874 ( -5.967 0.801 -0.340) 6.030 ======================= Grid point 25 (25/105) ======================= q-point: ( 0.28 -0.28 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -7.318 12.857 0.000) 14.794 1.961 ( -7.593 9.807 0.000) 12.403 2.223 ( -9.824 -0.530 -0.000) 9.838 2.233 ( -9.742 0.874 0.000) 9.781 2.517 ( -4.471 -0.256 -0.000) 4.479 2.559 ( -1.774 -8.000 -0.000) 8.194 2.619 ( -1.885 -4.163 -0.000) 4.570 2.630 ( -5.261 -3.197 -0.000) 6.156 2.839 ( -7.942 6.709 0.000) 10.396 2.876 ( -7.942 1.356 0.000) 8.057 3.423 ( -10.763 -5.713 -0.000) 12.186 3.502 ( -11.451 -3.183 -0.000) 11.885 3.575 ( -10.223 -1.053 -0.000) 10.277 3.697 ( -3.693 -7.598 -0.000) 8.448 3.873 ( -14.397 12.938 0.000) 19.356 4.178 ( -4.562 11.290 0.000) 12.177 4.356 ( -26.815 17.336 0.000) 31.931 4.593 ( -11.607 7.296 0.000) 13.710 4.607 ( 3.023 12.589 0.000) 12.947 4.666 ( -6.159 6.216 0.000) 8.750 4.769 ( 7.230 15.664 0.000) 17.252 4.932 ( -11.800 1.234 0.000) 11.864 4.973 ( -1.036 1.498 0.000) 1.821 5.445 ( -18.368 7.332 0.000) 19.777 5.548 ( 2.582 23.789 0.000) 23.929 6.191 ( -13.362 10.471 0.000) 16.976 6.445 ( -9.636 2.008 0.000) 9.843 6.880 ( -2.806 3.379 0.000) 4.393 6.884 ( -3.835 7.054 0.000) 8.029 7.885 ( -0.372 4.590 0.000) 4.605 7.974 ( -20.707 5.223 0.000) 21.356 8.308 ( -5.295 2.853 0.000) 6.014 8.416 ( 1.403 5.056 0.000) 5.248 8.561 ( 12.137 2.933 0.000) 12.486 8.725 ( 0.362 0.412 0.000) 0.549 9.417 ( 25.577 14.908 0.000) 29.604 9.469 ( -6.162 24.447 0.000) 25.211 10.200 ( 4.778 25.539 0.000) 25.982 10.567 ( 21.654 16.549 0.000) 27.254 11.819 ( 25.341 14.304 0.000) 29.100 11.985 ( 21.917 18.382 0.000) 28.605 12.795 ( 3.228 1.197 0.000) 3.443 ======================= Grid point 26 (26/105) ======================= q-point: ( 0.17 0.33 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 5.925 3.100 6.298) 9.186 2.349 ( 15.009 -4.197 2.008) 15.713 2.472 ( 6.329 2.612 -5.308) 8.664 2.587 ( 6.492 2.192 -3.469) 7.680 2.649 ( 1.711 1.118 0.467) 2.097 2.702 ( 0.697 -4.749 -1.751) 5.110 2.822 ( 2.641 3.913 3.200) 5.703 2.878 ( 5.431 4.115 3.373) 7.603 3.000 ( 5.883 1.840 -0.194) 6.167 3.079 ( 2.851 1.951 1.569) 3.794 3.271 ( -7.446 -5.643 -8.565) 12.675 3.461 ( -4.268 9.176 -12.774) 16.297 3.718 ( -10.283 2.372 10.400) 14.816 3.916 ( -7.517 20.611 3.521) 22.219 4.080 ( 3.012 6.445 3.821) 8.075 4.124 ( 3.501 7.687 6.215) 10.487 4.298 ( 5.182 5.686 -2.751) 8.171 4.393 ( 2.172 5.074 0.420) 5.535 4.683 ( 6.332 15.291 -2.003) 16.671 4.701 ( 4.703 8.624 -3.633) 10.473 4.922 ( 2.098 12.349 -3.057) 12.894 4.948 ( 12.358 13.545 0.072) 18.336 5.325 ( 18.794 22.745 -0.276) 29.507 5.356 ( 7.031 12.985 3.689) 15.220 5.904 ( 8.107 8.163 2.921) 11.870 6.193 ( -6.175 9.847 -3.598) 12.168 6.253 ( -3.831 10.705 -4.681) 12.296 6.538 ( -6.176 10.369 1.453) 12.156 6.751 ( -5.884 10.456 -6.725) 13.754 7.517 ( -7.557 15.880 11.583) 21.058 7.870 ( -12.519 0.102 10.803) 16.536 8.032 ( -8.528 0.868 -7.486) 11.380 8.307 ( -5.396 7.799 -1.818) 9.657 8.463 ( -2.798 4.563 4.293) 6.861 8.562 ( 5.333 9.845 -1.601) 11.310 8.642 ( 2.342 4.549 -0.687) 5.163 9.076 ( -0.600 20.037 -7.485) 21.398 9.167 ( -11.647 40.186 0.101) 41.840 9.760 ( 1.130 25.420 -4.607) 25.859 10.407 ( 2.777 21.302 -11.080) 24.171 11.460 ( -3.634 15.553 28.838) 32.966 12.368 ( -8.348 7.894 -13.885) 18.022 ======================= Grid point 27 (27/105) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.000 26.743 0.000) 26.743 0.588 ( -0.000 27.341 0.000) 27.341 1.097 ( -0.000 50.713 0.000) 50.713 1.709 ( -0.000 4.009 0.000) 4.009 1.760 ( -0.000 5.839 0.000) 5.839 1.846 ( -0.000 2.363 0.000) 2.363 1.970 ( 0.000 -3.293 -0.000) 3.293 2.120 ( -0.000 15.840 0.000) 15.840 2.441 ( -0.000 0.763 0.000) 0.763 2.562 ( -0.000 0.963 0.000) 0.963 3.177 ( 0.000 -4.218 -0.000) 4.218 3.212 ( -0.000 2.774 0.000) 2.774 3.267 ( -0.000 0.338 0.000) 0.338 3.280 ( 0.000 -3.509 -0.000) 3.509 3.379 ( 0.000 -1.719 -0.000) 1.719 3.389 ( 0.000 -3.439 -0.000) 3.439 3.637 ( -0.000 17.938 0.000) 17.938 3.682 ( -0.000 12.024 0.000) 12.024 3.927 ( -0.000 9.177 0.000) 9.177 4.072 ( -0.000 4.546 0.000) 4.546 4.181 ( -0.000 7.966 0.000) 7.966 4.333 ( -0.000 1.274 0.000) 1.274 4.579 ( -0.000 6.357 0.000) 6.357 4.686 ( -0.000 7.893 0.000) 7.893 4.785 ( -0.000 3.037 0.000) 3.037 5.112 ( -0.000 9.743 0.000) 9.743 5.404 ( -0.000 10.125 0.000) 10.125 6.541 ( 0.000 -1.226 -0.000) 1.226 7.005 ( -0.000 1.288 0.000) 1.288 7.260 ( 0.000 -6.342 -0.000) 6.342 7.469 ( -0.000 32.356 0.000) 32.356 7.681 ( -0.000 8.770 0.000) 8.770 7.806 ( -0.000 0.205 0.000) 0.205 8.064 ( -0.000 1.979 0.000) 1.979 8.416 ( -0.000 13.714 0.000) 13.714 8.654 ( -0.000 26.089 0.000) 26.089 8.720 ( -0.000 0.092 0.000) 0.092 9.924 ( -0.000 12.938 0.000) 12.938 10.938 ( -0.000 6.143 0.000) 6.143 12.700 ( -0.000 2.259 0.000) 2.259 12.981 ( -0.000 0.685 0.000) 0.685 13.178 ( 0.000 -1.425 -0.000) 1.425 ======================= Grid point 28 (28/105) ======================= q-point: (-0.06 -0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -9.757 -0.000 -6.145) 11.531 2.420 ( -5.610 0.000 3.588) 6.660 2.467 ( -16.118 0.000 -0.023) 16.118 2.488 ( -13.830 0.000 0.585) 13.842 2.529 ( -2.805 -0.000 -0.981) 2.971 2.616 ( -3.400 -0.000 -0.680) 3.467 2.751 ( 5.819 0.000 5.685) 8.135 2.876 ( 3.836 0.000 1.498) 4.118 2.950 ( 6.388 0.000 1.809) 6.639 3.098 ( 2.810 -0.000 -1.244) 3.073 3.174 ( 5.667 -0.000 -5.552) 7.934 3.262 ( 4.073 0.000 1.980) 4.529 3.322 ( 4.761 -0.000 -0.358) 4.774 3.451 ( 8.440 -0.000 -1.414) 8.557 4.062 ( -8.550 0.000 0.385) 8.559 4.083 ( 8.326 0.000 2.310) 8.640 4.106 ( -12.864 0.000 1.508) 12.952 4.123 ( -4.600 0.000 -0.569) 4.635 4.312 ( -1.457 0.000 4.638) 4.862 4.478 ( -6.238 -0.000 -7.593) 9.827 4.586 ( -3.181 -0.000 -4.143) 5.223 4.641 ( -4.608 0.000 1.366) 4.806 4.775 ( -12.649 0.000 5.017) 13.608 4.907 ( -11.073 -0.000 -4.299) 11.879 5.694 ( -9.225 0.000 0.165) 9.226 5.890 ( 1.069 0.000 6.680) 6.765 6.034 ( 20.536 -0.000 0.159) 20.536 6.280 ( 4.735 -0.000 -0.176) 4.738 6.452 ( 5.965 0.000 6.353) 8.715 7.112 ( 0.683 -0.000 -20.485) 20.497 7.748 ( 3.854 -0.000 -1.041) 3.992 7.877 ( 3.430 0.000 1.562) 3.769 7.919 ( 7.246 0.000 3.501) 8.048 8.102 ( 18.416 -0.000 -3.710) 18.786 8.201 ( 2.395 -0.000 -0.244) 2.407 8.425 ( 8.075 0.000 7.790) 11.220 8.508 ( -7.408 -0.000 -3.978) 8.408 8.683 ( -5.529 0.000 4.831) 7.342 9.211 ( 4.715 0.000 9.696) 10.782 9.997 ( -8.502 0.000 13.007) 15.540 11.161 ( 5.054 -0.000 -35.020) 35.383 12.234 ( 13.544 0.000 16.454) 21.311 ======================= Grid point 29 (29/105) ======================= q-point: (-0.17 0.17 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 15.728 -6.136 -0.000) 16.882 1.643 ( 19.950 -1.480 -0.000) 20.004 2.145 ( 9.133 -3.621 -0.000) 9.824 2.234 ( 7.635 0.192 0.000) 7.638 2.363 ( 10.279 -6.211 -0.000) 12.010 2.364 ( 7.609 -6.368 -0.000) 9.922 2.744 ( 4.688 7.320 0.000) 8.692 2.856 ( 0.400 9.328 0.000) 9.337 3.059 ( 13.275 3.185 0.000) 13.652 3.138 ( -1.987 8.853 0.000) 9.073 3.227 ( 24.295 -12.164 -0.000) 27.170 3.346 ( 8.900 -5.801 -0.000) 10.623 3.447 ( 4.481 -8.931 -0.000) 9.992 3.451 ( 5.353 -14.649 -0.000) 15.597 3.678 ( 1.820 -3.515 -0.000) 3.958 3.809 ( -1.004 -3.770 -0.000) 3.901 3.897 ( 14.331 -20.390 -0.000) 24.922 4.012 ( 14.126 -13.520 -0.000) 19.553 4.018 ( 8.823 0.494 0.000) 8.837 4.178 ( 12.192 -5.976 -0.000) 13.578 4.379 ( -2.032 1.722 0.000) 2.663 4.744 ( -6.566 -8.744 -0.000) 10.934 4.754 ( -5.363 -8.061 -0.000) 9.682 4.858 ( 0.353 -1.222 -0.000) 1.272 5.091 ( 20.725 -6.761 -0.000) 21.800 5.717 ( 14.220 -8.323 -0.000) 16.477 6.086 ( 27.793 -8.359 -0.000) 29.023 6.542 ( 3.237 -6.192 -0.000) 6.987 6.826 ( -14.577 -1.145 -0.000) 14.622 7.468 ( 27.165 -16.375 -0.000) 31.718 7.592 ( -12.929 -7.398 -0.000) 14.896 8.084 ( 2.088 -4.348 -0.000) 4.823 8.112 ( -4.842 -13.062 -0.000) 13.931 8.280 ( 0.589 -2.989 -0.000) 3.047 8.323 ( -1.550 -12.878 -0.000) 12.971 8.489 ( -0.455 -13.619 -0.000) 13.627 8.949 ( 12.631 -12.276 -0.000) 17.614 9.222 ( -17.515 -7.852 -0.000) 19.194 9.790 ( -39.254 -10.841 -0.000) 40.723 11.348 ( -28.427 -5.653 -0.000) 28.984 11.387 ( -35.972 -6.766 -0.000) 36.603 12.799 ( -6.195 1.506 0.000) 6.375 ======================= Grid point 30 (30/105) ======================= q-point: (-0.28 -0.22 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -12.199 -11.036 -1.985) 16.570 1.653 ( -11.718 -13.183 -12.181) 21.435 1.754 ( -9.033 -2.677 13.785) 16.697 2.121 ( -12.021 -10.306 9.306) 18.367 2.309 ( -6.440 -2.876 -7.945) 10.624 2.424 ( -12.246 -0.966 -10.457) 16.132 2.520 ( -5.827 -0.156 1.397) 5.994 2.656 ( -1.986 6.471 0.270) 6.775 2.735 ( -7.413 3.221 3.095) 8.655 2.951 ( -11.200 -5.804 -2.263) 12.815 3.039 ( -19.076 -8.686 8.980) 22.803 3.071 ( -8.361 -0.820 7.259) 11.103 3.320 ( -8.129 -5.985 -0.663) 10.116 3.493 ( -13.463 2.998 -1.132) 13.839 3.613 ( -13.141 1.368 -3.439) 13.653 3.678 ( -8.418 -7.224 9.818) 14.814 3.865 ( -5.809 -5.509 -3.531) 8.750 4.022 ( -10.594 -10.223 7.531) 16.537 4.256 ( -1.952 -18.176 -3.370) 18.588 4.539 ( 0.911 -11.841 2.800) 12.202 4.570 ( 6.918 -13.260 -10.182) 18.094 4.739 ( -10.791 -3.873 -0.065) 11.466 4.843 ( -11.229 -8.515 1.455) 14.168 5.009 ( 1.809 -7.436 -4.467) 8.860 5.209 ( -4.624 -16.899 -7.300) 18.980 5.596 ( -13.365 -14.390 9.467) 21.802 5.760 ( -20.930 -14.734 1.636) 25.648 6.408 ( -14.972 -11.149 10.959) 21.646 7.072 ( 9.600 2.216 -3.260) 10.378 7.466 ( -14.993 -10.547 -3.784) 18.717 7.910 ( 6.002 -2.741 -7.943) 10.327 7.974 ( -10.300 -3.583 8.695) 13.947 8.421 ( -2.162 -5.178 -6.812) 8.826 8.490 ( 4.290 -12.296 -0.536) 13.034 8.655 ( 0.567 -7.081 -1.135) 7.194 8.805 ( -5.223 -22.581 -1.305) 23.214 9.286 ( 5.888 -27.336 -0.387) 27.966 9.779 ( 13.148 -25.198 8.200) 29.581 10.751 ( 20.836 -12.050 -3.671) 24.348 12.007 ( 35.787 -11.525 6.816) 38.209 12.420 ( 21.573 -6.741 -10.257) 24.821 12.821 ( 8.725 -1.596 6.983) 11.289 ======================= Grid point 31 (31/105) ======================= q-point: (-0.40 0.40 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 3.321 -1.127 -0.000) 3.507 2.476 ( 9.620 6.112 0.000) 11.397 2.568 ( -0.378 1.072 0.000) 1.137 2.594 ( -0.696 4.596 0.000) 4.649 2.724 ( 0.905 -3.532 -0.000) 3.646 2.783 ( -0.888 -2.550 -0.000) 2.700 2.899 ( -2.396 -1.252 -0.000) 2.703 3.020 ( 6.676 -2.173 -0.000) 7.021 3.100 ( 0.644 -1.495 -0.000) 1.627 3.139 ( 0.501 -1.522 -0.000) 1.603 3.400 ( 6.339 -4.704 -0.000) 7.894 3.474 ( 0.433 -2.539 -0.000) 2.576 3.781 ( -9.776 -10.465 -0.000) 14.321 3.891 ( -9.054 -10.636 -0.000) 13.968 4.105 ( 1.085 2.258 0.000) 2.505 4.247 ( 2.335 4.744 0.000) 5.287 4.482 ( 2.370 -11.679 -0.000) 11.917 4.683 ( 6.222 -10.082 -0.000) 11.848 4.985 ( -1.462 -12.705 -0.000) 12.789 5.139 ( 3.920 -13.402 -0.000) 13.963 5.284 ( -0.281 -12.306 -0.000) 12.309 5.357 ( 4.471 -5.426 -0.000) 7.031 5.716 ( 4.672 -12.758 -0.000) 13.587 5.997 ( 10.273 -11.782 -0.000) 15.632 6.074 ( -0.742 -8.370 -0.000) 8.403 6.306 ( -1.336 -8.258 -0.000) 8.365 6.594 ( -4.600 -16.692 -0.000) 17.314 6.672 ( -0.738 -8.203 -0.000) 8.236 6.880 ( -8.386 -8.820 -0.000) 12.170 7.432 ( -1.954 7.245 0.000) 7.504 7.597 ( -6.338 -14.028 -0.000) 15.394 7.952 ( -1.510 4.537 0.000) 4.781 8.251 ( -0.668 -3.450 -0.000) 3.514 8.608 ( -2.000 -6.950 -0.000) 7.232 8.738 ( 1.071 -1.780 -0.000) 2.077 8.870 ( 2.332 -5.251 -0.000) 5.746 9.455 ( -3.450 -19.331 -0.000) 19.637 10.032 ( -2.175 -22.135 -0.000) 22.241 10.121 ( 1.412 -27.167 -0.000) 27.203 10.979 ( -2.937 -20.409 -0.000) 20.619 11.720 ( 8.642 -20.991 -0.000) 22.700 12.582 ( -5.117 -14.484 -0.000) 15.361 ======================= Grid point 33 (32/105) ======================= q-point: ( 0.38 -0.38 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -3.414 0.089 0.000) 3.416 2.275 ( -2.905 8.384 0.000) 8.873 2.350 ( -6.708 -3.194 -0.000) 7.429 2.415 ( -5.122 -2.839 -0.000) 5.857 2.458 ( -7.344 -0.930 -0.000) 7.402 2.540 ( -5.732 -1.180 -0.000) 5.852 2.740 ( -8.542 3.724 0.000) 9.319 2.778 ( -9.988 2.248 0.000) 10.238 2.977 ( -1.754 -3.626 -0.000) 4.028 3.128 ( -5.122 -0.359 -0.000) 5.135 3.475 ( -8.511 -5.633 -0.000) 10.206 3.503 ( 2.264 2.507 0.000) 3.378 3.765 ( -3.340 3.715 0.000) 4.995 3.797 ( -12.602 -3.402 -0.000) 13.053 4.350 ( -7.964 6.974 0.000) 10.586 4.447 ( -2.440 4.433 0.000) 5.061 4.628 ( 3.466 1.615 0.000) 3.824 4.716 ( 11.367 4.543 0.000) 12.241 4.939 ( -12.223 -1.028 -0.000) 12.266 4.954 ( -11.107 3.894 0.000) 11.770 4.964 ( -13.218 1.921 0.000) 13.357 5.167 ( -8.250 2.911 0.000) 8.748 5.366 ( -21.059 5.384 0.000) 21.737 5.876 ( -13.782 1.400 0.000) 13.853 5.971 ( -1.556 15.824 0.000) 15.901 6.368 ( 0.053 -6.893 -0.000) 6.894 6.590 ( -9.593 3.911 0.000) 10.360 7.032 ( -0.241 2.686 0.000) 2.697 7.145 ( -3.710 4.145 0.000) 5.563 7.972 ( -0.759 2.070 0.000) 2.205 8.133 ( 24.486 0.964 0.000) 24.505 8.374 ( 6.743 -1.659 -0.000) 6.944 8.457 ( -11.836 2.930 0.000) 12.193 8.508 ( -1.449 3.250 0.000) 3.558 8.603 ( -1.058 -5.253 -0.000) 5.359 9.134 ( 23.687 8.279 0.000) 25.092 9.832 ( 2.558 4.824 0.000) 5.460 10.467 ( 5.969 10.466 0.000) 12.049 10.541 ( 5.729 7.763 0.000) 9.648 11.627 ( 15.553 5.073 0.000) 16.359 12.106 ( 6.078 15.809 0.000) 16.937 12.798 ( -0.435 0.364 0.000) 0.567 ======================= Grid point 34 (33/105) ======================= q-point: ( 0.26 0.24 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 10.396 3.615 -0.228) 11.009 2.229 ( 4.721 6.986 8.346) 11.864 2.250 ( 12.182 -0.064 -9.016) 15.155 2.526 ( 2.381 -6.073 -1.212) 6.634 2.585 ( 2.405 -2.241 -0.830) 3.391 2.597 ( 6.030 2.228 -1.169) 6.534 2.747 ( 7.541 -0.597 8.165) 11.131 2.774 ( 6.294 0.715 2.684) 6.880 2.905 ( 4.991 -1.008 -1.804) 5.402 3.117 ( 5.700 7.142 4.923) 10.379 3.270 ( -2.076 -3.617 -14.146) 14.748 3.525 ( 7.296 1.230 -12.704) 14.701 3.810 ( -0.632 -4.508 12.052) 12.883 4.025 ( 6.627 -4.227 6.061) 9.926 4.179 ( 12.305 12.481 5.374) 18.333 4.306 ( 4.143 9.998 0.513) 10.835 4.489 ( -5.898 8.766 -3.355) 11.085 4.537 ( -4.898 12.733 0.278) 13.646 4.737 ( 12.585 10.039 -7.687) 17.840 4.776 ( 7.531 8.046 -3.758) 11.643 4.843 ( 18.489 8.889 -0.539) 20.521 5.082 ( 2.313 6.668 1.964) 7.326 5.322 ( 15.806 5.777 5.177) 17.607 5.540 ( 9.105 21.922 -1.490) 23.784 5.854 ( 12.143 9.133 5.508) 16.162 6.400 ( 2.221 5.500 -2.841) 6.577 6.415 ( 3.276 4.516 -4.061) 6.901 6.860 ( -1.632 8.524 -0.806) 8.716 7.026 ( 1.067 9.139 0.289) 9.206 7.884 ( 0.272 7.796 1.322) 7.912 8.156 ( -17.823 0.390 2.420) 17.991 8.282 ( -7.163 3.763 -4.566) 9.291 8.428 ( 10.245 4.256 -1.594) 11.208 8.439 ( 8.451 2.229 2.466) 9.081 8.713 ( -5.314 -3.702 0.422) 6.490 8.920 ( -21.139 14.448 4.420) 25.984 9.503 ( -0.302 20.133 -6.394) 21.126 10.129 ( -7.442 22.122 2.039) 23.430 10.245 ( -6.665 22.738 3.264) 23.919 11.126 ( -16.986 27.730 -14.209) 35.488 11.952 ( -9.442 15.180 20.504) 27.203 12.643 ( -3.348 6.625 -9.579) 12.119 ======================= Grid point 35 (34/105) ======================= q-point: ( 0.15 -0.15 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -9.458 20.611 0.000) 22.677 1.241 ( -10.089 20.663 0.000) 22.994 1.895 ( -5.363 2.798 0.000) 6.049 1.942 ( -3.666 -0.368 -0.000) 3.684 2.009 ( -9.342 8.454 0.000) 12.599 2.056 ( -10.231 9.801 0.000) 14.168 2.322 ( -18.469 29.978 0.000) 35.210 2.484 ( -5.385 3.161 0.000) 6.245 2.610 ( -2.613 -2.797 -0.000) 3.828 2.663 ( -15.165 12.841 0.000) 19.871 3.026 ( 1.879 -11.167 -0.000) 11.324 3.096 ( -4.515 -7.045 -0.000) 8.367 3.146 ( -5.952 -9.214 -0.000) 10.969 3.286 ( -0.049 5.009 0.000) 5.009 3.354 ( -5.016 -4.152 -0.000) 6.512 3.492 ( -13.471 -6.524 -0.000) 14.967 3.908 ( 5.206 14.834 0.000) 15.721 4.169 ( -0.879 11.510 0.000) 11.543 4.205 ( -3.197 23.375 0.000) 23.593 4.331 ( -4.569 13.639 0.000) 14.384 4.468 ( -6.467 9.497 0.000) 11.489 4.636 ( -10.025 8.418 0.000) 13.091 4.723 ( 4.921 8.263 0.000) 9.618 4.839 ( -7.362 12.839 0.000) 14.800 5.021 ( -6.840 10.389 0.000) 12.438 5.392 ( -8.402 13.534 0.000) 15.930 5.659 ( -0.139 12.899 0.000) 12.900 6.462 ( 3.212 14.636 0.000) 14.984 7.107 ( 2.788 -5.772 -0.000) 6.411 7.245 ( -10.603 1.493 0.000) 10.707 7.845 ( 3.112 8.498 0.000) 9.050 7.911 ( -8.870 0.391 0.000) 8.879 8.183 ( -5.074 4.101 0.000) 6.524 8.376 ( -9.959 26.722 0.000) 28.518 8.699 ( 2.149 2.463 0.000) 3.268 8.759 ( -0.302 18.814 0.000) 18.816 9.311 ( 1.099 34.482 0.000) 34.500 10.169 ( 10.642 19.579 0.000) 22.285 11.023 ( 9.578 10.734 0.000) 14.386 12.609 ( 17.283 7.469 0.000) 18.828 12.806 ( 19.101 3.803 0.000) 19.476 13.038 ( 7.411 -1.200 -0.000) 7.507 ======================= Grid point 37 (35/105) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 1.104 ( 22.480 0.000 -0.000) 22.480 1.158 ( 24.373 0.000 -0.000) 24.373 1.947 ( 6.060 0.000 -0.000) 6.060 2.048 ( 23.353 0.000 -0.000) 23.353 2.060 ( 13.142 0.000 -0.000) 13.142 2.116 ( 7.250 0.000 -0.000) 7.250 2.149 ( 34.259 0.000 -0.000) 34.259 2.726 ( 11.740 0.000 -0.000) 11.740 2.762 ( 20.054 0.000 -0.000) 20.054 2.945 ( 11.647 0.000 -0.000) 11.647 3.164 ( -3.247 -0.000 0.000) 3.247 3.190 ( 4.537 0.000 -0.000) 4.537 3.232 ( 1.877 0.000 -0.000) 1.877 3.326 ( 0.983 0.000 -0.000) 0.983 3.495 ( 20.951 0.000 -0.000) 20.951 3.506 ( -0.102 -0.000 0.000) 0.102 3.587 ( 4.410 0.000 -0.000) 4.410 3.778 ( -3.090 -0.000 0.000) 3.090 3.887 ( 11.265 0.000 -0.000) 11.265 3.937 ( -0.730 -0.000 0.000) 0.730 4.460 ( -1.572 -0.000 0.000) 1.572 4.569 ( 19.690 0.000 -0.000) 19.690 4.697 ( 4.043 0.000 -0.000) 4.043 4.822 ( -8.096 -0.000 0.000) 8.096 4.959 ( -4.854 -0.000 0.000) 4.854 5.274 ( 37.738 0.000 -0.000) 37.738 5.308 ( 13.055 0.000 -0.000) 13.055 6.099 ( 27.011 0.000 -0.000) 27.011 6.968 ( 1.137 0.000 -0.000) 1.137 7.102 ( -11.949 -0.000 0.000) 11.949 7.678 ( 1.556 0.000 -0.000) 1.556 8.022 ( 1.780 0.000 -0.000) 1.780 8.067 ( -5.108 -0.000 0.000) 5.108 8.199 ( 4.541 0.000 -0.000) 4.541 8.232 ( -5.381 -0.000 0.000) 5.381 8.439 ( -4.173 -0.000 0.000) 4.173 8.556 ( 3.259 0.000 -0.000) 3.259 9.495 ( -13.568 -0.000 0.000) 13.568 10.369 ( -25.832 -0.000 0.000) 25.832 11.912 ( -30.705 -0.000 0.000) 30.705 12.101 ( -36.596 -0.000 0.000) 36.596 12.923 ( -3.600 -0.000 0.000) 3.600 ======================= Grid point 38 (36/105) ======================= q-point: (-0.19 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -18.355 -0.989 -5.395) 19.157 1.721 ( -14.433 -5.549 -9.578) 18.189 1.969 ( -12.985 -0.744 10.643) 16.806 2.162 ( -9.270 -6.010 9.903) 14.837 2.393 ( -5.873 -1.269 -6.435) 8.804 2.558 ( -6.741 -5.977 -10.917) 14.155 2.695 ( -4.368 5.107 3.456) 7.557 2.879 ( -1.396 10.030 -1.547) 10.244 3.029 ( -6.206 8.851 2.996) 11.217 3.129 ( -8.447 0.361 -1.186) 8.537 3.177 ( -15.927 -8.882 5.549) 19.062 3.223 ( -13.940 -9.357 9.598) 19.339 3.386 ( -10.220 -4.824 -0.221) 11.303 3.567 ( -3.695 -13.633 4.534) 14.835 3.615 ( -4.782 -9.655 2.861) 11.148 3.761 ( -1.405 -2.083 -5.534) 6.078 3.922 ( -14.659 -23.078 -1.132) 27.363 4.019 ( -14.856 -0.177 -1.919) 14.980 4.159 ( 3.744 -5.256 -7.575) 9.952 4.239 ( -11.503 -5.682 -3.261) 13.238 4.365 ( -1.380 1.851 0.682) 2.407 4.714 ( 8.415 -7.316 2.918) 11.526 4.767 ( 2.664 -8.303 -1.437) 8.837 4.877 ( -1.277 -2.748 -1.697) 3.473 5.121 ( -17.987 -7.719 -2.687) 19.757 5.674 ( -14.814 -8.473 3.826) 17.489 6.054 ( -25.846 -6.950 2.818) 26.912 6.500 ( -11.340 -7.508 2.713) 13.868 6.825 ( 14.729 -1.543 0.129) 14.810 7.502 ( -22.805 -16.408 -3.208) 28.277 7.616 ( 15.540 -7.132 -1.302) 17.148 8.043 ( -5.059 -3.535 2.495) 6.657 8.136 ( 2.700 -12.595 0.091) 12.882 8.232 ( 3.260 -8.734 1.716) 9.479 8.441 ( 4.417 -7.740 -9.112) 12.746 8.485 ( 1.193 -13.386 -0.767) 13.461 8.917 ( -5.443 -7.497 4.560) 10.326 9.095 ( 9.231 -14.735 9.203) 19.673 9.928 ( 34.989 -9.111 -11.191) 37.848 10.973 ( 43.083 -6.632 18.243) 47.254 11.812 ( 21.259 -5.706 -23.945) 32.525 12.658 ( 7.138 0.470 14.214) 15.913 ======================= Grid point 39 (37/105) ======================= q-point: (-0.30 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 7.394 -2.907 -0.000) 7.945 2.331 ( 15.055 4.341 0.000) 15.668 2.562 ( 4.340 -4.128 -0.000) 5.989 2.602 ( 0.806 -4.305 -0.000) 4.380 2.628 ( 3.039 -3.928 -0.000) 4.966 2.740 ( 6.974 2.025 0.000) 7.262 2.740 ( -0.662 5.927 0.000) 5.963 2.872 ( 6.249 -1.676 -0.000) 6.469 3.025 ( 10.494 -7.036 -0.000) 12.634 3.043 ( 0.688 2.868 0.000) 2.949 3.432 ( -10.694 3.455 0.000) 11.238 3.517 ( -7.478 -2.636 -0.000) 7.929 3.695 ( -4.113 -10.664 -0.000) 11.429 3.791 ( -9.027 -18.996 -0.000) 21.032 4.046 ( 3.981 -6.514 -0.000) 7.634 4.052 ( 6.392 -9.905 -0.000) 11.789 4.344 ( 4.534 -8.439 -0.000) 9.580 4.376 ( -0.627 1.101 0.000) 1.267 4.713 ( 3.672 -9.785 -0.000) 10.451 4.719 ( 4.661 -15.632 -0.000) 16.312 4.947 ( 12.191 -15.343 -0.000) 19.597 4.979 ( 3.357 -12.714 -0.000) 13.150 5.300 ( 9.353 -13.025 -0.000) 16.036 5.328 ( 18.407 -21.210 -0.000) 28.084 5.873 ( 7.373 -7.082 -0.000) 10.224 6.242 ( -10.957 -6.825 -0.000) 12.909 6.312 ( 2.354 -13.104 -0.000) 13.314 6.536 ( -6.624 -11.044 -0.000) 12.878 6.822 ( -4.179 -10.010 -0.000) 10.847 7.351 ( -8.574 -21.271 -0.000) 22.934 7.755 ( -16.978 3.265 0.000) 17.289 8.216 ( -2.827 -3.821 -0.000) 4.753 8.237 ( -16.587 1.172 0.000) 16.628 8.417 ( 3.696 -9.447 -0.000) 10.144 8.577 ( 7.368 -10.923 -0.000) 13.176 8.652 ( 0.869 -4.892 -0.000) 4.969 9.005 ( -10.844 -35.195 -0.000) 36.827 9.432 ( 11.254 -27.546 -0.000) 29.757 9.662 ( -6.089 -19.741 -0.000) 20.659 10.687 ( -12.267 -17.042 -0.000) 20.998 11.037 ( 7.469 -23.034 -0.000) 24.214 12.502 ( -9.145 -6.502 -0.000) 11.221 ======================= Grid point 40 (38/105) ======================= q-point: (-0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 0.000 -16.226 -4.903) 16.951 1.645 ( 0.000 -16.932 -5.577) 17.827 1.893 ( 0.000 -10.001 5.820) 11.571 1.907 ( 0.000 -13.338 5.608) 14.469 2.152 ( 0.000 -4.700 -2.894) 5.520 2.210 ( 0.000 -3.001 -8.697) 9.200 2.464 ( 0.000 -4.629 2.302) 5.170 2.569 ( -0.000 0.513 -0.367) 0.631 2.571 ( -0.000 8.483 9.820) 12.977 2.642 ( 0.000 0.400 -1.223) 1.287 2.807 ( -0.000 2.675 5.123) 5.779 2.944 ( -0.000 7.191 -4.793) 8.642 3.079 ( 0.000 -13.137 -10.330) 16.712 3.110 ( -0.000 8.543 -3.000) 9.054 3.111 ( -0.000 9.424 0.126) 9.425 3.536 ( 0.000 -11.747 -1.510) 11.844 4.015 ( -0.000 -18.215 29.922) 35.030 4.150 ( -0.000 -1.952 5.098) 5.459 4.369 ( 0.000 -15.190 7.515) 16.947 4.585 ( 0.000 -8.282 -11.549) 14.212 4.607 ( 0.000 -10.921 2.563) 11.218 4.964 ( 0.000 -11.700 2.657) 11.998 5.061 ( 0.000 -8.587 -1.057) 8.652 5.131 ( 0.000 -12.035 -17.138) 20.941 5.161 ( 0.000 -9.652 -1.607) 9.785 5.528 ( 0.000 -9.756 -0.658) 9.779 5.756 ( -0.000 -6.000 8.872) 10.710 6.433 ( -0.000 -12.978 21.125) 24.792 7.093 ( 0.000 -1.312 -1.142) 1.739 7.281 ( 0.000 5.190 -11.610) 12.717 7.724 ( -0.000 -1.885 5.827) 6.125 8.114 ( 0.000 -4.379 -6.370) 7.730 8.301 ( 0.000 -1.166 -7.923) 8.009 8.678 ( -0.000 -0.307 3.592) 3.605 8.865 ( 0.000 -9.800 -1.553) 9.922 9.255 ( 0.000 -28.577 -2.472) 28.684 10.073 ( 0.000 -27.996 -4.774) 28.401 10.636 ( 0.000 -24.168 6.889) 25.130 11.322 ( 0.000 -5.397 -1.129) 5.514 12.927 ( 0.000 -3.544 -0.138) 3.547 13.026 ( 0.000 -5.825 1.585) 6.037 13.111 ( -0.000 1.737 -0.883) 1.948 ======================= Grid point 41 (39/105) ======================= q-point: (-0.53 -0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -7.040 1.219 0.000) 7.145 2.382 ( -8.026 -0.489 -0.000) 8.041 2.428 ( -0.621 -2.027 -0.000) 2.120 2.540 ( -0.481 8.100 0.000) 8.114 2.611 ( -7.288 -1.132 -0.000) 7.375 2.651 ( -2.374 -0.151 -0.000) 2.379 2.808 ( -2.237 -5.563 -0.000) 5.996 2.998 ( -4.218 -3.313 -0.000) 5.364 3.077 ( -8.023 3.428 0.000) 8.725 3.144 ( -7.596 1.482 0.000) 7.739 3.513 ( -9.279 -10.125 -0.000) 13.734 3.542 ( 0.977 -1.794 -0.000) 2.043 3.777 ( 9.504 3.919 0.000) 10.280 3.938 ( -2.878 0.319 0.000) 2.896 4.350 ( 7.959 0.752 0.000) 7.995 4.360 ( 8.348 -0.573 -0.000) 8.368 4.668 ( -0.149 -2.394 -0.000) 2.398 4.758 ( -8.526 -0.888 -0.000) 8.572 5.004 ( -9.423 -12.254 -0.000) 15.458 5.192 ( -11.314 -5.684 -0.000) 12.661 5.235 ( -10.849 0.231 0.000) 10.852 5.300 ( -6.405 -4.872 -0.000) 8.047 5.759 ( -12.343 -2.778 -0.000) 12.652 6.061 ( -10.070 -6.777 -0.000) 12.138 6.216 ( -0.396 4.821 0.000) 4.837 6.302 ( -6.055 -6.115 -0.000) 8.606 6.724 ( -4.973 -5.680 -0.000) 7.549 6.952 ( 4.870 -6.555 -0.000) 8.166 7.064 ( 7.378 -7.184 -0.000) 10.298 7.707 ( 21.804 7.828 0.000) 23.166 7.952 ( 12.770 -2.028 -0.000) 12.930 8.051 ( 3.552 -1.016 -0.000) 3.695 8.452 ( 8.064 2.781 0.000) 8.530 8.659 ( -4.792 -0.777 -0.000) 4.854 8.760 ( -10.789 -2.134 -0.000) 10.998 8.807 ( 10.075 -5.226 -0.000) 11.349 9.696 ( 1.699 -9.706 -0.000) 9.853 10.404 ( 3.846 -7.252 -0.000) 8.209 10.525 ( -1.042 -8.352 -0.000) 8.417 11.322 ( 4.580 -14.347 -0.000) 15.060 12.195 ( 3.474 -0.611 -0.000) 3.527 12.739 ( -2.093 -10.140 -0.000) 10.354 ======================= Grid point 43 (40/105) ======================= q-point: ( 0.36 0.14 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 4.374 7.886 -4.725) 10.181 2.112 ( 5.861 5.635 -3.756) 8.956 2.270 ( 4.645 1.857 4.129) 6.486 2.301 ( 3.479 -6.175 1.572) 7.260 2.444 ( 6.268 -1.129 5.225) 8.238 2.465 ( 5.971 -1.027 -2.596) 6.591 2.613 ( 1.718 -3.279 8.714) 9.468 2.657 ( 7.815 2.325 0.484) 8.167 2.751 ( 6.883 -2.180 -6.671) 9.831 3.039 ( 12.043 1.994 1.308) 12.277 3.158 ( 9.102 0.167 -8.127) 12.203 3.405 ( 7.988 3.493 -6.928) 11.136 3.555 ( 12.502 -5.125 5.359) 14.536 3.714 ( 11.459 -5.951 5.943) 14.214 4.079 ( 16.651 5.778 0.120) 17.626 4.400 ( 4.154 5.496 2.049) 7.188 4.568 ( 19.167 7.829 -5.119) 21.328 4.649 ( 4.781 1.725 -5.152) 7.237 4.686 ( 8.523 5.708 2.689) 10.605 4.775 ( 2.330 1.231 0.098) 2.637 4.937 ( -5.976 3.227 -3.465) 7.624 4.986 ( 13.089 1.820 1.492) 13.299 5.127 ( -0.554 -0.174 6.270) 6.297 5.534 ( 16.383 4.055 -1.241) 16.923 6.031 ( -0.157 14.542 4.676) 15.277 6.321 ( 8.297 -1.619 -4.102) 9.397 6.339 ( 7.703 -0.530 -1.404) 7.848 6.900 ( 8.838 2.136 0.114) 9.093 7.035 ( 8.576 2.803 -0.039) 9.022 7.954 ( -0.892 1.311 0.338) 1.622 8.053 ( 21.484 0.999 0.860) 21.524 8.323 ( 9.713 1.708 -1.170) 9.931 8.544 ( -8.337 3.410 1.476) 9.127 8.579 ( -11.881 1.795 -0.769) 12.041 8.666 ( -2.627 -4.824 -0.247) 5.498 9.678 ( -25.241 7.084 0.512) 26.221 9.826 ( 1.303 9.414 -0.515) 9.518 10.622 ( -8.909 14.216 -0.222) 16.778 10.764 ( -13.698 0.845 0.495) 13.733 11.986 ( -25.070 9.908 -3.607) 27.197 12.381 ( -11.832 4.376 5.337) 13.698 12.786 ( -2.666 1.822 -2.135) 3.871 ======================= Grid point 44 (41/105) ======================= q-point: ( 0.24 -0.24 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -7.432 17.064 0.000) 18.612 1.796 ( -8.149 13.971 0.000) 16.174 2.056 ( -6.177 1.604 0.000) 6.382 2.065 ( -6.459 2.606 0.000) 6.965 2.421 ( -5.799 2.037 0.000) 6.146 2.437 ( -10.933 4.092 0.000) 11.674 2.543 ( -5.120 -0.377 -0.000) 5.134 2.544 ( -1.946 -4.385 -0.000) 4.797 2.717 ( -6.155 -2.177 -0.000) 6.528 2.758 ( 0.275 -6.516 -0.000) 6.522 3.177 ( -12.417 -7.051 -0.000) 14.280 3.193 ( -16.117 -5.455 -0.000) 17.016 3.323 ( -13.188 -0.427 -0.000) 13.195 3.577 ( -9.543 -9.135 -0.000) 13.210 3.600 ( -10.808 11.654 0.000) 15.895 3.775 ( -28.231 20.434 0.000) 34.850 4.133 ( 0.076 12.016 0.000) 12.016 4.403 ( -6.011 4.989 0.000) 7.812 4.536 ( -4.330 4.011 0.000) 5.902 4.676 ( -0.517 12.187 0.000) 12.198 4.797 ( -2.677 11.388 0.000) 11.698 4.809 ( 1.726 6.494 0.000) 6.719 5.034 ( -0.445 9.269 0.000) 9.279 5.091 ( -10.309 5.373 0.000) 11.625 5.543 ( -7.248 19.346 0.000) 20.660 5.957 ( -6.305 10.763 0.000) 12.474 6.073 ( -22.919 11.547 0.000) 25.663 6.767 ( -5.939 7.948 0.000) 9.921 6.905 ( 3.169 -6.223 -0.000) 6.983 7.573 ( -17.515 2.889 0.000) 17.752 7.910 ( 3.249 5.145 0.000) 6.085 8.134 ( -10.852 0.389 0.000) 10.859 8.380 ( -4.216 4.946 0.000) 6.499 8.739 ( 0.434 1.913 0.000) 1.962 8.749 ( 5.964 7.086 0.000) 9.262 9.348 ( -5.316 26.818 0.000) 27.339 9.826 ( 13.195 21.320 0.000) 25.073 10.365 ( 11.413 25.031 0.000) 27.510 10.972 ( 16.542 9.651 0.000) 19.152 12.362 ( 25.732 11.938 0.000) 28.366 12.475 ( 23.880 9.577 0.000) 25.729 12.881 ( 5.271 -0.501 -0.000) 5.294 ======================= Grid point 45 (42/105) ======================= q-point: ( 0.13 0.37 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 2.169 0.601 2.296) 3.215 2.530 ( 1.189 1.103 -1.821) 2.438 2.609 ( 4.887 -0.312 -0.481) 4.921 2.670 ( 4.258 -4.281 1.696) 6.271 2.691 ( 1.799 4.044 -0.134) 4.428 2.728 ( 3.924 -2.062 1.700) 4.747 2.881 ( -1.102 2.447 4.062) 4.868 2.972 ( -2.671 -3.831 -3.835) 6.043 2.992 ( 3.688 4.745 -1.993) 6.331 3.177 ( -0.444 0.751 -3.556) 3.661 3.257 ( 7.739 9.642 -0.580) 12.377 3.353 ( -2.400 9.933 -6.549) 12.137 3.508 ( -8.213 3.870 5.386) 10.557 3.714 ( -9.868 17.028 3.421) 19.976 4.098 ( -0.163 3.849 1.834) 4.267 4.204 ( 4.210 9.579 0.951) 10.507 4.323 ( -2.328 1.848 -0.434) 3.004 4.474 ( 3.821 12.662 1.565) 13.319 4.739 ( 0.552 5.855 -1.483) 6.065 4.802 ( 3.215 21.698 0.278) 21.937 4.956 ( 0.865 11.202 -3.128) 11.663 5.129 ( 4.799 15.457 0.247) 16.187 5.446 ( 1.960 14.368 1.296) 14.558 5.679 ( 14.800 16.944 -1.398) 22.541 5.925 ( -7.573 10.411 3.526) 13.348 6.076 ( -1.078 11.108 -1.056) 11.210 6.174 ( -3.591 14.763 -3.316) 15.551 6.499 ( 2.066 9.885 -0.143) 10.100 6.617 ( -6.164 10.493 -3.720) 12.725 7.370 ( -4.421 12.344 4.757) 13.948 7.613 ( -8.711 -3.154 4.441) 10.274 7.996 ( 2.067 2.608 3.259) 4.658 8.235 ( -1.556 3.706 -1.008) 4.144 8.354 ( -4.813 5.646 -2.570) 7.851 8.652 ( 2.468 11.650 -0.313) 11.913 8.708 ( 2.130 6.120 0.185) 6.483 9.012 ( -1.383 33.755 15.368) 37.114 9.043 ( -3.795 31.203 -20.287) 37.411 9.844 ( 4.497 23.306 -5.317) 24.324 10.444 ( -0.149 18.035 0.687) 18.049 11.476 ( 2.882 14.182 12.945) 19.417 12.214 ( -5.253 12.906 -7.596) 15.871 ======================= Grid point 47 (43/105) ======================= q-point: (-0.10 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -12.262 -0.000 -8.475) 14.906 2.081 ( -19.780 0.000 -1.689) 19.852 2.221 ( -13.070 0.000 4.525) 13.831 2.277 ( -7.996 0.000 7.062) 10.668 2.472 ( -2.874 -0.000 -5.171) 5.915 2.553 ( -3.187 -0.000 -5.995) 6.789 2.833 ( 1.316 0.000 7.685) 7.797 2.958 ( 3.763 0.000 2.747) 4.659 3.070 ( 4.632 0.000 2.659) 5.341 3.185 ( 5.120 -0.000 -0.598) 5.155 3.276 ( 2.043 -0.000 -5.434) 5.805 3.285 ( -2.158 0.000 0.891) 2.335 3.382 ( 1.163 -0.000 -1.614) 1.989 3.599 ( 6.355 -0.000 -1.135) 6.456 3.682 ( -25.843 0.000 1.438) 25.883 3.775 ( -16.204 0.000 7.873) 18.015 4.035 ( -18.649 0.000 1.610) 18.719 4.094 ( -2.003 -0.000 -5.106) 5.485 4.236 ( -6.125 0.000 3.917) 7.270 4.399 ( 8.223 -0.000 -2.593) 8.623 4.461 ( -10.061 0.000 -1.021) 10.113 4.587 ( -2.399 -0.000 -4.445) 5.051 4.654 ( -9.480 -0.000 -4.231) 10.381 4.733 ( 4.178 0.000 1.153) 4.334 5.424 ( -16.739 0.000 0.159) 16.740 5.820 ( -7.771 0.000 5.034) 9.259 6.332 ( -4.608 0.000 3.988) 6.094 6.441 ( 19.014 -0.000 0.406) 19.019 6.529 ( -0.403 -0.000 -1.930) 1.971 7.186 ( 10.519 -0.000 -10.893) 15.143 7.846 ( 5.552 -0.000 -1.479) 5.746 7.877 ( -21.476 0.000 7.632) 22.791 7.967 ( 5.185 0.000 2.261) 5.657 8.191 ( -2.929 0.000 7.552) 8.100 8.265 ( 3.783 -0.000 -0.330) 3.798 8.354 ( -7.691 -0.000 -3.236) 8.344 8.598 ( 17.866 0.000 6.403) 18.979 9.037 ( 29.672 -0.000 -12.708) 32.279 9.196 ( -7.973 -0.000 -5.748) 9.829 10.128 ( 27.345 0.000 28.918) 39.799 11.381 ( 14.990 -0.000 -33.910) 37.075 12.485 ( 10.597 0.000 16.512) 19.620 ======================= Grid point 48 (44/105) ======================= q-point: (-0.21 0.21 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 12.579 -3.638 -0.000) 13.094 2.045 ( 19.160 1.729 0.000) 19.238 2.339 ( 9.186 -3.954 -0.000) 10.001 2.388 ( 7.001 -2.479 -0.000) 7.427 2.478 ( 4.274 -5.877 -0.000) 7.266 2.549 ( 8.644 -7.289 -0.000) 11.307 2.779 ( -0.075 7.950 0.000) 7.950 2.847 ( -0.856 6.427 0.000) 6.484 3.076 ( -3.788 7.861 0.000) 8.726 3.166 ( 0.158 7.358 0.000) 7.360 3.409 ( -1.060 -13.254 -0.000) 13.296 3.456 ( -4.566 -21.329 -0.000) 21.813 3.487 ( 4.278 -9.663 -0.000) 10.567 3.629 ( -6.173 -2.927 -0.000) 6.832 3.798 ( 18.966 -6.183 -0.000) 19.949 3.881 ( 6.236 1.977 0.000) 6.542 4.014 ( 4.429 -6.519 -0.000) 7.881 4.329 ( 17.981 -18.182 -0.000) 25.572 4.353 ( 2.755 -3.007 -0.000) 4.078 4.389 ( 2.799 -4.265 -0.000) 5.101 4.447 ( 22.331 -4.806 -0.000) 22.842 4.611 ( -5.177 -6.623 -0.000) 8.406 4.678 ( 0.292 -10.607 -0.000) 10.612 4.903 ( 4.568 -10.132 -0.000) 11.114 5.485 ( 16.554 -5.418 -0.000) 17.418 5.967 ( 9.623 -7.611 -0.000) 12.269 6.426 ( -7.085 -0.852 -0.000) 7.136 6.486 ( -6.465 -6.862 -0.000) 9.428 6.589 ( 3.494 -8.428 -0.000) 9.124 7.231 ( -18.871 -14.268 -0.000) 23.658 7.944 ( 0.712 -7.807 -0.000) 7.840 8.087 ( 10.734 -9.890 -0.000) 14.596 8.122 ( -0.515 -10.185 -0.000) 10.198 8.292 ( 2.561 -2.978 -0.000) 3.928 8.358 ( 4.927 -5.982 -0.000) 7.750 8.535 ( 9.091 -21.410 -0.000) 23.260 8.761 ( -19.551 -0.368 0.000) 19.554 8.939 ( -39.643 -16.402 -0.000) 42.902 9.298 ( 11.552 -13.144 -0.000) 17.499 10.780 ( -19.807 -9.297 -0.000) 21.881 10.828 ( -22.364 -5.866 -0.000) 23.121 12.642 ( -9.302 0.083 0.000) 9.303 ======================= Grid point 49 (45/105) ======================= q-point: (-0.32 -0.18 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -5.919 -17.958 -5.251) 19.624 1.420 ( -10.677 -16.432 -12.736) 23.372 1.630 ( -2.508 -6.227 14.123) 15.637 1.857 ( -12.298 -11.700 9.295) 19.352 2.153 ( -9.510 -5.622 -5.832) 12.492 2.237 ( -3.826 1.362 -15.175) 15.710 2.391 ( -7.610 -12.558 -2.322) 14.866 2.511 ( -14.473 -18.774 -6.813) 24.665 2.559 ( -8.199 -7.378 3.878) 11.692 2.656 ( -2.518 -1.114 0.124) 2.756 2.856 ( -4.783 9.471 12.639) 16.502 2.977 ( -2.273 -0.828 7.847) 8.212 3.217 ( -3.960 7.868 -2.617) 9.189 3.292 ( -2.254 -4.387 1.509) 5.158 3.393 ( -7.042 4.709 -3.144) 9.036 3.489 ( -11.165 2.543 5.389) 12.655 3.749 ( -5.478 -8.027 13.770) 16.853 3.928 ( 1.004 -15.909 7.910) 17.795 4.215 ( -8.062 -11.803 2.217) 14.464 4.325 ( -12.564 -17.028 -3.813) 21.502 4.550 ( -13.207 -11.053 3.998) 17.680 4.669 ( 1.817 -13.880 -0.218) 14.001 4.743 ( 5.887 -13.862 -6.173) 16.276 4.983 ( -3.672 -7.597 -11.516) 14.277 5.038 ( -6.492 -7.985 -2.627) 10.621 5.366 ( -7.881 -14.703 1.522) 16.751 5.594 ( -0.927 -13.007 6.656) 14.640 6.179 ( -5.366 -13.065 21.280) 25.540 7.138 ( -5.202 -2.658 -5.129) 7.774 7.321 ( 2.481 0.498 -2.897) 3.846 7.769 ( -8.232 -2.722 9.006) 12.501 8.000 ( 2.209 -1.886 -11.967) 12.314 8.333 ( -4.966 -3.035 -9.365) 11.026 8.517 ( -1.997 -20.229 -10.671) 22.958 8.662 ( 0.391 -3.473 3.165) 4.715 8.741 ( -0.843 -19.045 1.550) 19.126 9.369 ( 2.511 -33.518 -6.927) 34.318 10.021 ( 8.940 -24.002 13.787) 29.088 11.061 ( 9.562 -9.420 -2.898) 13.732 12.592 ( 19.708 -8.677 1.403) 21.579 12.796 ( 13.507 -3.025 0.958) 13.875 13.032 ( 10.953 -0.261 0.364) 10.962 ======================= Grid point 50 (46/105) ======================= q-point: (-0.44 -0.56 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 2.062 -1.130 -0.000) 2.351 2.526 ( -6.750 4.827 0.000) 8.298 2.544 ( -2.735 -1.032 -0.000) 2.923 2.658 ( 6.986 9.178 0.000) 11.534 2.680 ( -7.695 1.676 0.000) 7.876 2.690 ( -3.595 -2.369 -0.000) 4.305 2.824 ( -2.914 -0.864 -0.000) 3.040 2.978 ( -3.815 -1.359 -0.000) 4.049 3.121 ( 2.327 -7.199 -0.000) 7.566 3.294 ( 2.612 -8.564 -0.000) 8.953 3.383 ( -4.032 -2.835 -0.000) 4.929 3.471 ( -10.200 -10.362 -0.000) 14.540 3.640 ( 6.608 -0.213 -0.000) 6.611 3.873 ( 6.292 -3.660 -0.000) 7.279 4.199 ( 6.387 -0.373 -0.000) 6.398 4.272 ( 0.498 0.971 0.000) 1.091 4.519 ( 1.006 -10.828 -0.000) 10.875 4.762 ( 1.180 -8.841 -0.000) 8.919 4.884 ( -8.267 -13.154 -0.000) 15.536 5.159 ( -3.221 -11.443 -0.000) 11.888 5.219 ( -4.683 -15.082 -0.000) 15.793 5.351 ( -5.046 -6.105 -0.000) 7.921 5.744 ( -1.958 -11.859 -0.000) 12.020 6.001 ( -6.745 -14.152 -0.000) 15.678 6.155 ( 5.513 -6.402 -0.000) 8.449 6.269 ( -3.244 -8.503 -0.000) 9.101 6.515 ( -1.348 -17.464 -0.000) 17.516 6.716 ( 3.705 -5.908 -0.000) 6.974 6.749 ( -1.675 -11.701 -0.000) 11.820 7.550 ( 11.936 7.841 0.000) 14.281 7.600 ( 6.964 -8.698 -0.000) 11.142 8.025 ( 5.883 3.428 0.000) 6.809 8.291 ( 5.159 -3.395 -0.000) 6.176 8.537 ( -2.682 -9.465 -0.000) 9.837 8.736 ( -2.201 -1.532 -0.000) 2.681 8.841 ( -4.794 -5.415 -0.000) 7.232 9.402 ( -1.957 -20.025 -0.000) 20.120 10.009 ( 0.342 -25.104 -0.000) 25.107 10.137 ( 0.666 -28.280 -0.000) 28.288 10.929 ( -2.906 -20.424 -0.000) 20.630 11.908 ( 9.142 -13.867 -0.000) 16.609 12.478 ( -4.444 -18.588 -0.000) 19.112 ======================= Grid point 53 (47/105) ======================= q-point: ( 0.34 -0.34 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -3.539 1.624 0.000) 3.893 2.210 ( -5.580 7.215 0.000) 9.121 2.210 ( -4.412 2.668 0.000) 5.155 2.260 ( -7.478 1.887 0.000) 7.713 2.379 ( -2.292 -5.225 -0.000) 5.706 2.453 ( -3.388 -2.367 -0.000) 4.133 2.587 ( -6.061 2.186 0.000) 6.443 2.598 ( -7.425 0.074 0.000) 7.425 2.885 ( -7.050 -2.765 -0.000) 7.573 2.973 ( -9.459 3.110 0.000) 9.957 3.260 ( -11.701 -9.080 -0.000) 14.811 3.481 ( -13.451 2.543 0.000) 13.689 3.519 ( -6.101 -8.890 -0.000) 10.782 3.612 ( -11.745 5.473 0.000) 12.957 4.079 ( -15.596 5.673 0.000) 16.596 4.376 ( -3.084 6.974 0.000) 7.626 4.634 ( -13.776 5.474 0.000) 14.824 4.653 ( -14.813 -1.855 -0.000) 14.929 4.729 ( -13.174 2.815 0.000) 13.472 4.787 ( 5.408 3.765 0.000) 6.590 4.941 ( 5.170 -2.863 -0.000) 5.910 4.954 ( -13.711 1.657 0.000) 13.811 5.065 ( 1.433 10.026 0.000) 10.128 5.549 ( -17.527 2.170 0.000) 17.661 5.979 ( 0.934 16.871 0.000) 16.897 6.344 ( -13.726 3.592 0.000) 14.189 6.366 ( -1.446 -8.776 -0.000) 8.895 6.967 ( -12.380 3.497 0.000) 12.864 6.978 ( -4.574 1.667 0.000) 4.868 7.950 ( 0.073 1.711 0.000) 1.713 8.044 ( -21.624 1.933 0.000) 21.710 8.339 ( -8.138 0.226 0.000) 8.141 8.527 ( 4.710 5.114 0.000) 6.953 8.588 ( 11.576 0.729 0.000) 11.599 8.666 ( 5.175 -4.724 -0.000) 7.007 9.672 ( 26.110 7.478 0.000) 27.160 9.832 ( -2.218 8.970 0.000) 9.240 10.624 ( 8.993 14.205 0.000) 16.812 10.758 ( 14.063 1.250 0.000) 14.118 12.038 ( 23.856 4.372 0.000) 24.253 12.311 ( 13.691 11.513 0.000) 17.889 12.809 ( 1.768 -0.338 -0.000) 1.800 ======================= Grid point 54 (48/105) ======================= q-point: ( 0.22 0.28 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 8.222 -0.446 4.016) 9.161 2.311 ( 5.222 2.249 3.805) 6.842 2.493 ( 10.494 -1.574 -7.768) 13.151 2.564 ( 1.423 -2.592 -0.346) 2.977 2.615 ( 0.938 -2.063 1.532) 2.735 2.713 ( 5.029 3.014 -3.915) 7.050 2.869 ( 3.741 -2.254 0.051) 4.368 2.931 ( 5.727 0.879 7.048) 9.124 2.978 ( 3.777 1.708 0.338) 4.159 3.212 ( -1.780 0.531 -7.645) 7.867 3.243 ( 7.929 10.100 2.462) 13.074 3.607 ( -0.555 3.759 -11.953) 12.542 3.706 ( -7.460 -1.132 8.643) 11.474 4.094 ( -1.530 -1.719 -4.620) 5.162 4.274 ( -3.369 8.136 10.447) 13.663 4.286 ( -7.180 5.312 1.171) 9.008 4.382 ( 3.280 6.585 0.705) 7.390 4.616 ( 9.029 13.507 5.271) 17.080 4.879 ( 3.986 9.206 -8.365) 13.062 4.997 ( 10.268 11.822 -1.196) 15.704 5.149 ( 6.995 8.017 -1.220) 10.710 5.194 ( 10.891 9.752 -2.514) 14.833 5.597 ( 10.293 9.786 3.326) 14.587 5.772 ( 12.555 18.486 1.528) 22.398 6.062 ( 7.085 6.304 4.765) 10.614 6.322 ( -3.428 3.747 -3.524) 6.181 6.535 ( 2.995 13.153 -4.019) 14.076 6.759 ( -6.648 10.295 0.200) 12.257 6.960 ( -6.498 9.152 -5.781) 12.626 7.707 ( -17.061 -0.048 6.267) 18.175 7.947 ( -4.097 7.521 10.297) 13.394 8.028 ( -12.355 -0.966 -7.983) 14.741 8.408 ( -10.133 2.181 4.778) 11.414 8.545 ( 0.318 5.361 1.223) 5.508 8.684 ( -0.139 1.076 -3.748) 3.902 8.763 ( 7.886 7.109 -1.201) 10.685 9.479 ( -1.321 17.069 -7.611) 18.735 9.929 ( -7.350 28.959 2.056) 29.948 10.273 ( 3.598 21.391 1.603) 21.751 10.927 ( -4.102 25.757 -9.078) 27.616 11.832 ( -2.472 18.116 18.439) 25.967 12.580 ( -2.815 11.488 -9.283) 15.035 ======================= Grid point 55 (49/105) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 1.104 ( -0.000 23.095 0.000) 23.095 1.127 ( -0.000 24.122 0.000) 24.122 1.822 ( -0.000 6.535 0.000) 6.535 1.922 ( -0.000 5.326 0.000) 5.326 1.923 ( -0.000 9.126 0.000) 9.126 1.927 ( -0.000 0.855 0.000) 0.855 2.090 ( -0.000 43.253 0.000) 43.253 2.432 ( -0.000 6.281 0.000) 6.281 2.497 ( -0.000 8.914 0.000) 8.914 2.576 ( -0.000 0.097 0.000) 0.097 2.992 ( 0.000 -12.934 -0.000) 12.934 3.085 ( 0.000 -12.176 -0.000) 12.176 3.163 ( 0.000 -7.070 -0.000) 7.070 3.283 ( 0.000 -6.712 -0.000) 6.712 3.304 ( 0.000 -6.187 -0.000) 6.187 3.316 ( -0.000 5.651 0.000) 5.651 4.011 ( -0.000 17.344 0.000) 17.344 4.125 ( -0.000 22.543 0.000) 22.543 4.159 ( -0.000 10.025 0.000) 10.025 4.283 ( -0.000 15.205 0.000) 15.205 4.399 ( -0.000 12.040 0.000) 12.040 4.429 ( -0.000 9.022 0.000) 9.022 4.788 ( -0.000 13.058 0.000) 13.058 4.865 ( -0.000 4.803 0.000) 4.803 4.901 ( -0.000 11.803 0.000) 11.803 5.330 ( -0.000 10.185 0.000) 10.185 5.644 ( -0.000 11.605 0.000) 11.605 6.615 ( -0.000 7.579 0.000) 7.579 7.041 ( -0.000 1.947 0.000) 1.947 7.137 ( 0.000 -5.601 -0.000) 5.601 7.809 ( -0.000 0.025 0.000) 0.025 7.883 ( -0.000 9.700 0.000) 9.700 8.122 ( -0.000 3.438 0.000) 3.438 8.238 ( -0.000 37.840 0.000) 37.840 8.721 ( 0.000 -0.043 -0.000) 0.043 8.760 ( -0.000 18.059 0.000) 18.059 9.323 ( -0.000 35.349 0.000) 35.349 10.281 ( -0.000 20.073 0.000) 20.073 11.117 ( -0.000 10.201 0.000) 10.201 12.789 ( -0.000 6.329 0.000) 6.329 13.009 ( -0.000 1.972 0.000) 1.972 13.132 ( 0.000 -2.835 -0.000) 2.835 ======================= Grid point 57 (50/105) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 17.408 0.000 -0.000) 17.408 1.629 ( 21.902 0.000 -0.000) 21.902 2.097 ( 8.492 0.000 -0.000) 8.492 2.258 ( 6.762 0.000 -0.000) 6.762 2.267 ( 6.737 0.000 -0.000) 6.737 2.296 ( 9.717 0.000 -0.000) 9.717 2.834 ( 14.877 0.000 -0.000) 14.877 3.079 ( 29.788 0.000 -0.000) 29.788 3.085 ( -4.373 -0.000 0.000) 4.373 3.115 ( 3.842 0.000 -0.000) 3.842 3.139 ( 13.204 0.000 -0.000) 13.204 3.256 ( -0.199 -0.000 0.000) 0.199 3.289 ( -4.168 -0.000 0.000) 4.168 3.296 ( 5.023 0.000 -0.000) 5.023 3.643 ( 15.076 0.000 -0.000) 15.076 3.699 ( -4.697 -0.000 0.000) 4.697 3.714 ( 8.239 0.000 -0.000) 8.239 3.843 ( 8.526 0.000 -0.000) 8.526 4.054 ( 16.371 0.000 -0.000) 16.371 4.117 ( 11.083 0.000 -0.000) 11.083 4.455 ( 1.747 0.000 -0.000) 1.747 4.620 ( -11.381 -0.000 0.000) 11.381 4.657 ( -4.667 -0.000 0.000) 4.667 4.846 ( -5.831 -0.000 0.000) 5.831 5.016 ( 22.116 0.000 -0.000) 22.116 5.626 ( 15.070 0.000 -0.000) 15.070 5.992 ( 30.237 0.000 -0.000) 30.237 6.474 ( 4.184 0.000 -0.000) 4.184 6.811 ( -16.228 -0.000 0.000) 16.228 7.269 ( 31.108 0.000 -0.000) 31.108 7.504 ( -18.345 -0.000 0.000) 18.345 7.951 ( -5.995 -0.000 0.000) 5.995 8.095 ( 8.163 0.000 -0.000) 8.163 8.112 ( -6.101 -0.000 0.000) 6.101 8.251 ( 0.761 0.000 -0.000) 0.761 8.347 ( -4.528 -0.000 0.000) 4.528 8.802 ( 17.472 0.000 -0.000) 17.472 9.162 ( -18.546 -0.000 0.000) 18.546 9.682 ( -40.514 -0.000 0.000) 40.514 11.291 ( -28.368 -0.000 0.000) 28.368 11.320 ( -37.158 -0.000 0.000) 37.158 12.820 ( -6.619 -0.000 0.000) 6.619 ======================= Grid point 58 (51/105) ======================= q-point: (-0.23 -0.27 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -19.285 -4.303 -6.487) 20.797 1.421 ( -14.936 -8.436 -15.604) 23.189 1.722 ( -10.785 -0.768 15.399) 18.816 1.930 ( -13.396 -6.912 10.825) 18.558 2.260 ( -8.584 -1.556 -7.861) 11.743 2.373 ( -14.432 -5.932 -12.269) 19.849 2.437 ( -24.948 -13.703 -7.776) 29.506 2.621 ( -12.774 -1.727 4.735) 13.732 2.769 ( -16.524 2.245 1.660) 16.758 2.809 ( -6.722 6.047 1.433) 9.154 2.990 ( -7.613 -4.035 9.767) 13.025 3.103 ( -4.430 1.366 12.919) 13.726 3.290 ( -1.540 1.428 0.824) 2.256 3.450 ( -9.208 -14.657 2.240) 17.454 3.467 ( -9.570 -7.920 6.884) 14.203 3.625 ( -7.651 4.950 2.846) 9.547 3.740 ( -6.200 -10.714 -4.272) 13.095 3.867 ( 1.121 -8.426 -12.470) 15.091 3.958 ( -12.135 -1.387 -2.933) 12.562 4.295 ( 6.535 -11.652 -12.319) 18.173 4.388 ( 2.293 -1.775 5.611) 6.316 4.608 ( -17.257 -6.703 2.545) 18.687 4.770 ( -14.546 -1.228 -1.549) 14.680 4.872 ( 4.660 -4.941 -0.374) 6.802 4.958 ( 1.003 -5.549 -4.878) 7.456 5.310 ( -19.557 -12.413 9.729) 25.124 5.479 ( -20.904 -10.909 -0.431) 23.583 6.166 ( -18.035 -10.940 10.534) 23.578 7.090 ( 7.013 -1.473 -2.182) 7.491 7.157 ( -6.968 -14.997 -4.671) 17.184 7.874 ( 5.823 -1.176 -2.470) 6.434 7.908 ( -4.611 -1.239 2.081) 5.208 8.203 ( 2.495 -9.843 -0.388) 10.162 8.340 ( 5.672 -7.363 -2.210) 9.554 8.482 ( -0.074 -6.013 -0.349) 6.023 8.496 ( -0.878 -8.358 -12.218) 14.829 8.757 ( -3.602 -20.280 -2.654) 20.767 9.397 ( 13.625 -10.880 17.217) 24.504 10.538 ( 23.815 -7.535 -5.994) 25.688 11.834 ( 38.136 -5.215 8.337) 39.383 12.299 ( 25.339 -4.458 -11.834) 28.319 12.795 ( 6.931 -0.668 10.919) 12.950 ======================= Grid point 59 (52/105) ======================= q-point: (-0.34 0.34 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 4.461 -0.635 -0.000) 4.506 2.558 ( -0.301 -0.092 -0.000) 0.314 2.616 ( 1.353 -3.263 -0.000) 3.532 2.643 ( 10.685 6.468 0.000) 12.490 2.693 ( 3.504 -6.266 -0.000) 7.179 2.714 ( -1.494 3.767 0.000) 4.053 2.838 ( 1.535 -0.766 -0.000) 1.716 3.000 ( 5.618 -4.834 -0.000) 7.412 3.050 ( -2.495 2.132 0.000) 3.282 3.183 ( -9.148 1.122 0.000) 9.217 3.272 ( 6.368 -6.626 -0.000) 9.190 3.388 ( -2.688 -7.210 -0.000) 7.695 3.545 ( -8.200 -10.752 -0.000) 13.522 3.613 ( -4.565 -16.893 -0.000) 17.499 4.087 ( 1.489 -3.601 -0.000) 3.897 4.185 ( 5.826 -12.403 -0.000) 13.704 4.333 ( -3.282 0.540 0.000) 3.326 4.454 ( 4.882 -10.449 -0.000) 11.533 4.757 ( 0.023 -8.334 -0.000) 8.334 4.790 ( 2.206 -19.350 -0.000) 19.475 4.998 ( -1.865 -12.923 -0.000) 13.057 5.127 ( 5.018 -16.069 -0.000) 16.834 5.430 ( 3.745 -13.940 -0.000) 14.434 5.694 ( 15.820 -16.529 -0.000) 22.879 5.884 ( -7.078 -9.515 -0.000) 11.859 6.094 ( -2.324 -11.101 -0.000) 11.341 6.243 ( -6.259 -15.321 -0.000) 16.550 6.497 ( 1.871 -8.601 -0.000) 8.802 6.647 ( -10.596 -12.930 -0.000) 16.716 7.276 ( 1.095 -14.682 -0.000) 14.723 7.549 ( -1.697 4.001 0.000) 4.346 8.032 ( -2.935 2.514 0.000) 3.864 8.172 ( -1.156 -3.939 -0.000) 4.105 8.424 ( -2.489 -11.091 -0.000) 11.367 8.666 ( 1.893 -15.322 -0.000) 15.438 8.697 ( 2.056 -2.040 -0.000) 2.896 8.859 ( -3.716 -36.738 -0.000) 36.925 9.496 ( -8.346 -26.398 -0.000) 27.686 9.573 ( 0.564 -21.023 -0.000) 21.031 10.551 ( -1.484 -18.511 -0.000) 18.570 11.305 ( 16.145 -16.757 -0.000) 23.269 12.294 ( -10.673 -11.587 -0.000) 15.753 ======================= Grid point 61 (53/105) ======================= q-point: (-0.57 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( -7.109 -3.919 -0.000) 8.118 2.215 ( -7.671 -4.979 -0.000) 9.146 2.403 ( -2.568 -0.189 -0.000) 2.575 2.460 ( -5.533 3.910 0.000) 6.775 2.471 ( -5.709 1.933 0.000) 6.028 2.653 ( -0.331 11.929 0.000) 11.934 2.726 ( -4.721 -5.862 -0.000) 7.527 2.810 ( -10.845 0.104 0.000) 10.845 2.916 ( -7.048 -0.491 -0.000) 7.065 3.075 ( -2.562 -2.273 -0.000) 3.425 3.320 ( -10.373 -8.289 -0.000) 13.278 3.492 ( -5.563 -5.225 -0.000) 7.632 3.829 ( -7.846 6.692 0.000) 10.312 3.896 ( 0.716 7.485 0.000) 7.519 4.407 ( -8.919 -1.622 -0.000) 9.065 4.468 ( 0.582 -3.002 -0.000) 3.058 4.591 ( -0.617 -5.037 -0.000) 5.074 4.713 ( 4.917 -4.608 -0.000) 6.739 4.839 ( -5.664 -7.572 -0.000) 9.456 4.906 ( -16.149 -6.852 -0.000) 17.542 4.963 ( -14.635 -3.033 -0.000) 14.946 5.189 ( -3.247 -1.264 -0.000) 3.485 5.429 ( -19.361 0.259 0.000) 19.362 5.823 ( -13.111 -7.388 -0.000) 15.049 6.173 ( -5.573 -11.393 -0.000) 12.683 6.226 ( 1.403 8.722 0.000) 8.834 6.576 ( -9.628 -5.281 -0.000) 10.982 7.004 ( -0.322 -4.741 -0.000) 4.752 7.154 ( -0.857 -3.424 -0.000) 3.530 7.980 ( -3.434 -1.247 -0.000) 3.653 8.174 ( 21.997 2.505 0.000) 22.139 8.304 ( 15.277 -4.654 -0.000) 15.970 8.468 ( -17.251 -1.138 -0.000) 17.288 8.516 ( -8.514 -2.954 -0.000) 9.012 8.612 ( 5.773 5.720 0.000) 8.127 9.176 ( 23.556 -4.315 -0.000) 23.948 9.768 ( 4.575 -10.639 -0.000) 11.581 10.515 ( 1.170 -9.705 -0.000) 9.775 10.534 ( 9.078 -4.675 -0.000) 10.211 11.515 ( 15.083 -16.371 -0.000) 22.260 12.286 ( 5.744 1.992 0.000) 6.079 12.716 ( 0.211 -8.626 -0.000) 8.628 ======================= Grid point 63 (54/105) ======================= q-point: ( 0.32 0.18 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 5.261 4.595 -2.500) 7.419 2.262 ( 8.426 1.236 -4.842) 9.796 2.333 ( 2.265 1.431 5.077) 5.741 2.396 ( 5.373 -4.103 0.662) 6.793 2.567 ( 3.977 1.116 5.250) 6.680 2.618 ( 6.274 -0.214 -4.000) 7.444 2.656 ( 6.431 -4.860 6.101) 10.109 2.838 ( 6.806 1.927 -3.641) 7.955 2.868 ( 6.980 -1.041 0.311) 7.064 3.230 ( 4.613 0.849 -1.175) 4.835 3.297 ( 5.570 5.941 -5.626) 9.898 3.525 ( 4.901 -2.078 -2.540) 5.898 3.758 ( 5.183 1.997 3.627) 6.633 3.887 ( 6.473 -7.661 3.381) 10.584 4.371 ( 7.846 4.953 2.192) 9.534 4.452 ( 0.268 3.912 0.796) 4.001 4.619 ( -2.625 3.177 -1.375) 4.345 4.732 ( -6.117 5.284 0.866) 8.130 4.849 ( 9.074 1.762 -4.711) 10.374 4.935 ( 11.578 4.996 -1.469) 12.695 4.979 ( 15.958 3.507 -0.809) 16.359 5.178 ( 5.844 2.425 0.897) 6.391 5.401 ( 19.924 1.863 2.591) 20.178 5.841 ( 12.905 6.280 -1.919) 14.480 6.052 ( 2.991 9.117 6.623) 11.659 6.329 ( 0.244 -5.152 -4.435) 6.803 6.583 ( 9.643 4.520 -0.550) 10.664 6.999 ( 0.287 3.931 -0.950) 4.055 7.165 ( 2.280 3.605 0.185) 4.269 7.976 ( 2.162 1.751 0.344) 2.803 8.150 ( -23.217 -0.476 1.604) 23.277 8.342 ( -11.203 1.727 -2.774) 11.669 8.469 ( 16.414 0.778 0.283) 16.435 8.506 ( 3.419 3.845 0.487) 5.168 8.607 ( -2.519 -5.577 0.364) 6.130 9.155 ( -23.616 6.450 1.734) 24.542 9.802 ( -3.353 7.619 -2.624) 8.728 10.462 ( -8.130 8.883 1.372) 12.119 10.566 ( -2.830 7.405 0.307) 7.934 11.564 ( -15.449 11.788 -4.565) 19.962 12.198 ( -5.982 6.743 7.257) 11.573 12.762 ( 0.122 3.559 -3.358) 4.895 ======================= Grid point 64 (55/105) ======================= q-point: ( 0.21 -0.21 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -7.261 18.079 0.000) 19.483 1.647 ( -5.729 17.742 0.000) 18.644 1.976 ( -2.144 4.944 0.000) 5.389 1.983 ( -0.711 4.520 0.000) 4.576 2.204 ( -10.075 9.489 0.000) 13.840 2.246 ( -9.725 7.469 0.000) 12.262 2.489 ( -0.178 0.748 0.000) 0.769 2.534 ( 0.933 -4.543 -0.000) 4.637 2.630 ( -2.234 0.501 0.000) 2.290 2.797 ( -0.003 -9.538 -0.000) 9.538 2.916 ( -6.694 -9.454 -0.000) 11.584 2.930 ( -10.710 -9.339 -0.000) 14.210 3.095 ( -9.836 10.992 0.000) 14.751 3.238 ( -18.605 7.358 0.000) 20.007 3.325 ( -13.660 -9.260 -0.000) 16.503 3.506 ( -0.841 12.546 0.000) 12.574 4.176 ( 3.572 7.801 0.000) 8.579 4.348 ( 0.482 7.229 0.000) 7.245 4.472 ( -2.452 1.942 0.000) 3.128 4.628 ( -2.434 13.533 0.000) 13.750 4.697 ( -5.811 10.838 0.000) 12.298 4.825 ( -8.973 8.671 0.000) 12.479 4.933 ( 7.334 11.541 0.000) 13.674 5.111 ( -0.254 12.366 0.000) 12.369 5.284 ( -13.095 12.822 0.000) 18.327 5.651 ( -14.830 10.775 0.000) 18.331 5.894 ( -3.030 8.875 0.000) 9.378 6.726 ( 3.118 11.184 0.000) 11.610 6.972 ( 3.043 -7.513 -0.000) 8.106 7.260 ( -13.161 0.630 0.000) 13.176 7.910 ( -9.281 -0.513 -0.000) 9.295 8.003 ( 4.519 6.279 0.000) 7.736 8.270 ( -5.592 4.311 0.000) 7.061 8.731 ( -1.045 0.575 0.000) 1.193 8.817 ( 1.194 11.652 0.000) 11.713 9.261 ( -2.966 27.963 0.000) 28.120 9.987 ( 4.007 27.851 0.000) 28.138 10.606 ( 9.870 21.277 0.000) 23.455 11.225 ( 8.107 6.849 0.000) 10.612 12.790 ( 14.130 8.265 0.000) 16.370 12.890 ( 15.064 3.570 0.000) 15.482 13.007 ( 6.668 -0.628 -0.000) 6.698 ======================= Grid point 67 (56/105) ======================= q-point: (-0.13 -0.37 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -14.587 -0.000 -12.020) 18.901 1.665 ( -20.740 0.000 -3.559) 21.043 1.957 ( -12.490 0.000 8.994) 15.391 2.096 ( -9.905 0.000 9.856) 13.973 2.413 ( -2.854 -0.000 -10.100) 10.496 2.455 ( -7.046 -0.000 -8.515) 11.052 2.772 ( -8.696 0.000 6.206) 10.684 3.023 ( 2.477 0.000 5.627) 6.148 3.034 ( -33.369 0.000 1.657) 33.410 3.120 ( -0.253 0.000 1.871) 1.888 3.152 ( -14.266 0.000 4.113) 14.847 3.154 ( -10.939 0.000 -1.255) 11.011 3.277 ( 1.672 0.000 1.029) 1.964 3.401 ( -2.495 -0.000 -3.388) 4.208 3.519 ( -6.985 0.000 9.372) 11.688 3.641 ( -13.863 0.000 0.111) 13.864 3.721 ( 5.096 -0.000 -1.689) 5.369 4.000 ( -10.564 -0.000 -7.965) 13.230 4.115 ( -2.099 -0.000 -5.993) 6.350 4.188 ( -14.439 -0.000 -4.009) 14.985 4.433 ( -5.087 0.000 1.753) 5.381 4.615 ( 10.727 -0.000 0.438) 10.736 4.669 ( 2.617 -0.000 -1.074) 2.828 4.847 ( 6.118 -0.000 -0.094) 6.119 5.037 ( -19.638 0.000 -1.999) 19.740 5.581 ( -15.482 0.000 3.959) 15.980 5.977 ( -28.669 0.000 1.571) 28.712 6.415 ( -12.418 0.000 3.888) 13.013 6.805 ( 16.182 -0.000 0.473) 16.188 7.302 ( -25.983 0.000 -3.043) 26.160 7.535 ( 20.035 -0.000 -1.816) 20.118 7.968 ( 6.060 -0.000 -1.717) 6.298 8.052 ( -8.982 0.000 4.283) 9.951 8.083 ( 5.955 0.000 2.670) 6.526 8.352 ( 4.552 -0.000 -0.368) 4.566 8.358 ( 3.770 -0.000 -11.399) 12.006 8.798 ( -16.701 0.000 0.335) 16.705 8.986 ( 17.690 0.000 15.029) 23.212 9.836 ( 35.422 -0.000 -12.171) 37.455 10.908 ( 43.835 0.000 18.503) 47.580 11.752 ( 21.220 -0.000 -24.263) 32.233 12.667 ( 7.255 0.000 15.195) 16.838 ======================= Grid point 68 (57/105) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 9.836 -1.694 -0.000) 9.980 2.418 ( 15.765 3.078 0.000) 16.063 2.495 ( 5.719 -1.509 -0.000) 5.914 2.506 ( 5.738 -3.307 -0.000) 6.623 2.558 ( 2.990 -3.270 -0.000) 4.431 2.744 ( 9.870 -9.179 -0.000) 13.478 2.776 ( 0.385 1.856 0.000) 1.896 2.828 ( -1.184 2.990 0.000) 3.216 3.008 ( -1.661 3.169 0.000) 3.578 3.128 ( -2.417 4.268 0.000) 4.905 3.314 ( -7.984 -22.007 -0.000) 23.410 3.328 ( -6.656 -12.417 -0.000) 14.088 3.461 ( -9.874 -1.336 -0.000) 9.964 3.483 ( -4.452 -9.923 -0.000) 10.875 3.971 ( 2.004 2.044 0.000) 2.863 4.000 ( 3.673 2.769 0.000) 4.600 4.189 ( 8.658 -5.821 -0.000) 10.433 4.377 ( -1.964 -3.834 -0.000) 4.307 4.400 ( 1.629 -11.757 -0.000) 11.870 4.566 ( 2.688 -4.482 -0.000) 5.226 4.609 ( 8.677 -15.581 -0.000) 17.834 4.751 ( 4.160 -7.775 -0.000) 8.818 4.919 ( 22.201 -13.702 -0.000) 26.089 5.040 ( 8.020 -12.643 -0.000) 14.972 5.745 ( 8.267 -4.588 -0.000) 9.454 6.083 ( 0.316 -7.887 -0.000) 7.893 6.103 ( -17.392 -5.760 -0.000) 18.321 6.351 ( -4.416 -6.392 -0.000) 7.769 6.616 ( -8.401 -8.887 -0.000) 12.229 6.980 ( -2.215 -12.437 -0.000) 12.633 7.790 ( -11.685 -0.552 -0.000) 11.698 8.072 ( -3.844 -14.254 -0.000) 14.763 8.146 ( -1.630 -2.907 -0.000) 3.333 8.223 ( -16.221 -24.785 -0.000) 29.622 8.324 ( -10.423 0.494 0.000) 10.435 8.365 ( -3.271 -15.439 -0.000) 15.782 8.574 ( 4.140 -2.470 -0.000) 4.821 8.988 ( 22.767 -14.700 -0.000) 27.101 9.334 ( -8.490 -10.688 -0.000) 13.649 10.437 ( -15.004 -6.948 -0.000) 16.535 10.694 ( 10.722 -9.836 -0.000) 14.550 12.414 ( -12.950 -2.239 -0.000) 13.142 ======================= Grid point 69 (58/105) ======================= q-point: (-0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 -19.914 -9.534) 22.079 1.261 ( 0.000 -19.382 -10.663) 22.121 1.662 ( -0.000 -9.536 12.519) 15.737 1.666 ( 0.000 -10.938 10.912) 15.451 2.044 ( 0.000 -5.267 -7.177) 8.902 2.191 ( 0.000 -8.686 -14.937) 17.279 2.269 ( 0.000 -26.828 -16.417) 31.452 2.387 ( -0.000 -2.738 5.174) 5.854 2.461 ( 0.000 -12.154 0.188) 12.156 2.645 ( 0.000 -0.035 -3.969) 3.969 2.806 ( -0.000 11.850 13.086) 17.654 2.958 ( -0.000 -1.880 10.374) 10.543 3.246 ( -0.000 10.186 -4.149) 10.998 3.280 ( -0.000 6.435 0.177) 6.437 3.312 ( -0.000 2.114 3.744) 4.300 3.329 ( 0.000 -6.117 -1.091) 6.213 3.646 ( -0.000 -11.450 26.848) 29.188 3.948 ( 0.000 -17.630 8.334) 19.501 4.029 ( 0.000 -15.824 14.221) 21.275 4.295 ( 0.000 -16.992 -10.894) 20.184 4.351 ( 0.000 -12.607 3.789) 13.164 4.689 ( 0.000 -12.963 3.440) 13.412 4.844 ( 0.000 -14.320 -19.223) 23.971 4.933 ( 0.000 -11.400 -2.387) 11.647 4.964 ( 0.000 -1.195 -5.757) 5.879 5.293 ( 0.000 -12.053 3.013) 12.424 5.573 ( 0.000 -10.923 6.990) 12.968 6.154 ( -0.000 -13.363 28.494) 31.471 7.061 ( 0.000 -1.585 -1.914) 2.485 7.365 ( 0.000 2.619 -7.980) 8.398 7.680 ( -0.000 -2.130 8.682) 8.939 8.010 ( 0.000 -4.590 -13.715) 14.462 8.274 ( 0.000 -1.303 -11.327) 11.402 8.479 ( 0.000 -26.875 -16.440) 31.505 8.671 ( -0.000 -0.387 5.030) 5.044 8.736 ( 0.000 -17.549 2.289) 17.698 9.394 ( 0.000 -34.873 -8.596) 35.917 10.115 ( 0.000 -24.291 15.640) 28.891 11.156 ( 0.000 -9.004 -2.943) 9.473 12.792 ( 0.000 -7.178 -0.405) 7.189 12.942 ( -0.000 -2.473 4.918) 5.505 13.167 ( -0.000 2.335 -2.120) 3.154 ======================= Grid point 70 (59/105) ======================= q-point: (-0.47 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -11.352 3.624 0.000) 11.916 2.375 ( -0.357 -3.157 -0.000) 3.177 2.390 ( -11.593 1.179 0.000) 11.653 2.566 ( -2.935 -2.763 -0.000) 4.030 2.610 ( -3.816 1.366 0.000) 4.053 2.680 ( -4.473 -2.157 -0.000) 4.966 2.861 ( 5.533 12.568 0.000) 13.732 2.922 ( -3.690 -3.738 -0.000) 5.252 3.088 ( -7.429 -2.744 -0.000) 7.919 3.147 ( -7.660 -1.925 -0.000) 7.898 3.268 ( -5.475 -11.760 -0.000) 12.972 3.425 ( 0.721 -6.965 -0.000) 7.002 3.857 ( 11.177 2.568 0.000) 11.469 3.999 ( 3.756 3.226 0.000) 4.951 4.295 ( 1.798 -5.884 -0.000) 6.152 4.319 ( 4.613 -4.178 -0.000) 6.224 4.527 ( 0.202 -10.330 -0.000) 10.332 4.657 ( -13.432 -11.754 -0.000) 17.848 4.732 ( -3.758 -9.021 -0.000) 9.772 4.987 ( -11.761 -13.131 -0.000) 17.628 5.143 ( -3.283 -10.211 -0.000) 10.726 5.159 ( -13.206 -7.327 -0.000) 15.102 5.631 ( -9.183 -9.121 -0.000) 12.943 5.789 ( -13.011 -19.024 -0.000) 23.048 6.145 ( -8.784 -8.789 -0.000) 12.426 6.253 ( 4.557 -1.158 -0.000) 4.702 6.492 ( -2.497 -14.925 -0.000) 15.133 6.810 ( 4.697 -7.116 -0.000) 8.526 6.851 ( 9.644 -12.393 -0.000) 15.704 7.843 ( 14.839 -7.917 -0.000) 16.819 7.862 ( 17.062 6.136 0.000) 18.132 8.059 ( -3.578 0.522 0.000) 3.616 8.474 ( 11.626 -1.999 -0.000) 11.796 8.620 ( 10.010 -7.539 -0.000) 12.532 8.642 ( -4.448 -4.398 -0.000) 6.256 8.689 ( -9.398 -4.099 -0.000) 10.253 9.375 ( -0.218 -20.275 -0.000) 20.276 10.066 ( 5.823 -24.784 -0.000) 25.459 10.163 ( 1.751 -26.484 -0.000) 26.542 10.861 ( -2.150 -26.720 -0.000) 26.806 12.085 ( 8.107 -7.974 -0.000) 11.372 12.421 ( -0.740 -18.664 -0.000) 18.679 ======================= Grid point 73 (60/105) ======================= q-point: ( 0.30 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -4.162 5.955 0.000) 7.266 2.099 ( -7.428 8.826 0.000) 11.536 2.117 ( -2.642 5.347 0.000) 5.964 2.137 ( -4.365 3.988 0.000) 5.913 2.353 ( -0.233 -6.641 -0.000) 6.645 2.396 ( -1.554 -5.348 -0.000) 5.569 2.477 ( -4.293 -2.057 -0.000) 4.760 2.486 ( -4.672 1.644 0.000) 4.953 2.717 ( -8.035 -1.636 -0.000) 8.200 2.772 ( -9.048 3.204 0.000) 9.598 3.029 ( -10.231 -7.380 -0.000) 12.615 3.120 ( -18.287 -0.309 0.000) 18.290 3.305 ( -17.247 2.716 0.000) 17.460 3.381 ( -10.078 -8.696 -0.000) 13.311 3.789 ( -11.009 4.805 0.000) 12.012 4.192 ( -25.359 17.010 0.000) 30.536 4.304 ( -6.629 1.940 0.000) 6.907 4.429 ( -2.946 -1.013 -0.000) 3.116 4.488 ( -7.826 -6.324 -0.000) 10.061 4.847 ( -0.753 3.795 0.000) 3.869 4.940 ( -1.354 2.092 0.000) 2.492 4.947 ( 8.530 5.086 0.000) 9.931 5.177 ( -9.106 2.757 0.000) 9.514 5.221 ( 0.503 7.399 0.000) 7.416 5.858 ( -15.775 9.329 0.000) 18.327 6.129 ( -5.383 5.370 0.000) 7.603 6.211 ( -15.616 0.619 0.000) 15.628 6.768 ( -3.775 -6.333 -0.000) 7.373 6.894 ( -1.809 4.525 0.000) 4.873 7.612 ( -19.515 1.217 0.000) 19.553 7.994 ( 3.807 2.790 0.000) 4.720 8.124 ( -11.544 -1.338 -0.000) 11.621 8.485 ( -5.060 4.919 0.000) 7.058 8.737 ( 1.264 -1.583 -0.000) 2.025 8.826 ( 8.554 1.102 0.000) 8.625 9.772 ( -3.045 11.414 0.000) 11.813 10.135 ( 18.006 7.692 0.000) 19.581 10.823 ( 10.058 17.167 0.000) 19.896 11.046 ( 12.670 -3.309 -0.000) 13.095 12.547 ( 23.598 4.195 0.000) 23.968 12.635 ( 16.592 5.041 0.000) 17.341 12.878 ( 5.119 0.225 0.000) 5.124 ======================= Grid point 74 (61/105) ======================= q-point: ( 0.19 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.842 1.160 2.324) 2.730 2.494 ( 8.603 -5.396 1.657) 10.289 2.579 ( 0.495 1.328 0.093) 1.421 2.623 ( -1.152 -5.729 2.684) 6.430 2.644 ( 3.555 -1.245 -2.346) 4.438 2.780 ( 0.755 0.623 -6.590) 6.662 2.847 ( -2.872 1.660 -1.725) 3.738 3.005 ( 2.200 3.775 5.155) 6.758 3.100 ( 6.800 3.085 -6.927) 10.185 3.223 ( 0.231 3.509 7.303) 8.105 3.432 ( 7.594 6.884 4.546) 11.212 3.520 ( -2.523 4.246 -1.245) 5.093 3.573 ( -5.943 5.265 -7.280) 10.772 3.953 ( -8.252 6.079 -3.149) 10.723 4.151 ( -2.997 0.232 4.297) 5.243 4.289 ( 1.162 0.556 2.132) 2.491 4.419 ( 0.599 6.043 0.592) 6.102 4.790 ( 6.358 15.302 6.219) 17.699 4.911 ( -0.750 9.872 -6.940) 12.091 5.156 ( 4.765 10.670 1.034) 11.731 5.228 ( 1.499 13.532 -2.509) 13.844 5.371 ( 4.713 7.387 -0.573) 8.781 5.735 ( 3.220 12.337 1.160) 12.803 5.990 ( 6.932 11.960 0.416) 13.830 6.129 ( 0.211 8.887 3.294) 9.480 6.289 ( -0.151 8.305 -1.297) 8.407 6.515 ( -3.313 17.075 -3.808) 17.806 6.692 ( 0.884 7.799 1.694) 8.030 6.820 ( -5.600 8.510 -4.901) 11.304 7.466 ( -5.148 -5.943 5.025) 9.331 7.658 ( -11.083 8.458 -1.899) 14.071 8.029 ( 2.133 0.450 7.085) 7.413 8.287 ( -2.463 2.002 0.620) 3.234 8.460 ( -4.283 5.217 -4.335) 8.022 8.730 ( 2.356 1.812 -0.453) 3.006 8.904 ( 3.782 7.073 -0.758) 8.057 9.461 ( -0.435 17.196 -2.666) 17.407 9.838 ( -1.990 31.197 0.400) 31.263 10.336 ( 1.922 20.968 -0.342) 21.058 10.886 ( -0.789 22.365 -1.800) 22.452 11.823 ( 0.536 17.431 7.520) 18.991 12.534 ( -1.402 16.144 -4.234) 16.749 ======================= Grid point 77 (62/105) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 1.828 ( 13.701 0.000 -0.000) 13.701 2.064 ( 20.528 0.000 -0.000) 20.528 2.289 ( 10.071 0.000 -0.000) 10.071 2.371 ( 4.044 0.000 -0.000) 4.044 2.394 ( 6.348 0.000 -0.000) 6.348 2.468 ( 7.439 0.000 -0.000) 7.439 2.934 ( -1.325 -0.000 0.000) 1.325 2.990 ( -4.807 -0.000 0.000) 4.807 3.099 ( -4.482 -0.000 0.000) 4.482 3.175 ( -5.303 -0.000 0.000) 5.303 3.208 ( -4.522 -0.000 0.000) 4.522 3.298 ( 2.705 0.000 -0.000) 2.705 3.351 ( 0.574 0.000 -0.000) 0.574 3.585 ( -6.469 -0.000 0.000) 6.469 3.700 ( 25.870 0.000 -0.000) 25.870 3.918 ( 10.788 0.000 -0.000) 10.788 3.984 ( 6.982 0.000 -0.000) 6.982 4.056 ( 21.656 0.000 -0.000) 21.656 4.304 ( 6.212 0.000 -0.000) 6.212 4.367 ( -12.873 -0.000 0.000) 12.873 4.424 ( 13.564 0.000 -0.000) 13.564 4.543 ( 6.472 0.000 -0.000) 6.472 4.598 ( 2.807 0.000 -0.000) 2.807 4.746 ( -2.803 -0.000 0.000) 2.803 5.426 ( 17.068 0.000 -0.000) 17.068 5.885 ( 9.868 0.000 -0.000) 9.868 6.411 ( -6.765 -0.000 0.000) 6.765 6.446 ( -19.071 -0.000 0.000) 19.071 6.464 ( 14.989 0.000 -0.000) 14.989 7.072 ( -20.586 -0.000 0.000) 20.586 7.831 ( -5.426 -0.000 0.000) 5.426 7.970 ( 26.065 0.000 -0.000) 26.065 7.991 ( -5.445 -0.000 0.000) 5.445 8.261 ( -3.744 -0.000 0.000) 3.744 8.291 ( 9.048 0.000 -0.000) 9.048 8.299 ( 10.107 0.000 -0.000) 10.107 8.755 ( -19.720 -0.000 0.000) 19.720 8.790 ( -42.789 -0.000 0.000) 42.789 9.160 ( 13.891 0.000 -0.000) 13.891 10.690 ( -20.788 -0.000 0.000) 20.788 10.770 ( -22.520 -0.000 0.000) 22.520 12.647 ( -10.360 -0.000 0.000) 10.360 ======================= Grid point 78 (63/105) ======================= q-point: (-0.27 -0.23 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -14.387 -12.015 -12.255) 22.394 1.113 ( -15.278 -11.728 -19.016) 27.066 1.542 ( -6.428 -2.745 18.689) 19.953 1.640 ( -13.949 -9.665 9.461) 19.429 1.739 ( -25.984 -29.554 -15.437) 42.272 2.065 ( -9.844 -3.128 -9.031) 13.721 2.281 ( -4.019 -0.993 -15.402) 15.949 2.409 ( -13.514 -0.528 -1.717) 13.633 2.436 ( -9.604 -0.251 5.587) 11.114 2.684 ( -4.787 0.615 0.659) 4.871 2.857 ( -5.975 -6.882 17.709) 19.917 3.041 ( -1.787 5.807 13.324) 14.644 3.197 ( -11.031 -13.023 10.244) 19.905 3.237 ( -4.016 -2.881 3.536) 6.077 3.342 ( -1.598 -7.259 4.716) 8.802 3.497 ( -6.359 1.262 9.016) 11.105 3.691 ( -0.234 -5.151 -6.209) 8.071 3.758 ( -7.573 3.087 -6.023) 10.157 3.918 ( 1.458 -9.843 -7.356) 12.374 4.023 ( -33.436 -11.883 12.494) 37.620 4.326 ( -15.161 -8.984 4.314) 18.143 4.449 ( 6.493 -12.366 -13.801) 19.635 4.470 ( 2.152 -5.258 6.651) 8.747 4.841 ( -7.772 -4.711 -10.213) 13.671 4.977 ( 0.588 0.364 -3.484) 3.552 5.091 ( -2.198 -10.093 1.310) 10.412 5.332 ( 0.602 -10.861 6.806) 12.831 5.896 ( -5.810 -13.420 19.702) 24.536 6.999 ( -1.616 -9.934 -6.780) 12.135 7.303 ( 6.827 -1.612 -0.464) 7.030 7.721 ( -7.872 -1.700 11.115) 13.726 8.029 ( 5.675 2.271 -18.387) 19.377 8.168 ( -8.953 -2.587 -7.450) 11.932 8.323 ( -5.237 -2.111 -14.640) 15.691 8.444 ( -1.708 -8.530 -1.118) 8.771 8.578 ( 6.635 -7.012 1.832) 9.826 8.735 ( -0.254 -22.033 -7.011) 23.123 9.610 ( 6.984 -14.342 21.357) 26.657 10.892 ( 10.756 -6.121 -4.451) 13.152 12.456 ( 21.369 -4.469 3.549) 22.117 12.747 ( 14.691 -1.564 0.052) 14.774 12.995 ( 13.749 -3.200 2.710) 14.374 ======================= Grid point 79 (64/105) ======================= q-point: (-0.38 -0.62 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 0.831 -0.518 -0.000) 0.979 2.512 ( -3.295 -1.072 -0.000) 3.465 2.602 ( -4.215 0.760 0.000) 4.283 2.687 ( -1.007 3.171 0.000) 3.327 2.689 ( -1.104 -1.942 -0.000) 2.234 2.764 ( -8.865 -0.471 -0.000) 8.877 2.936 ( 11.421 11.240 0.000) 16.024 2.938 ( -8.537 -3.340 -0.000) 9.167 2.954 ( -1.305 -7.685 -0.000) 7.795 3.120 ( 1.410 -6.112 -0.000) 6.273 3.245 ( -10.936 -9.982 -0.000) 14.807 3.278 ( -2.295 -7.168 -0.000) 7.526 3.594 ( 10.961 -5.597 -0.000) 12.307 3.728 ( 11.556 -12.682 -0.000) 17.157 4.133 ( 2.626 -5.224 -0.000) 5.847 4.204 ( -3.498 -8.986 -0.000) 9.643 4.324 ( 2.090 -3.998 -0.000) 4.511 4.491 ( -2.202 -13.234 -0.000) 13.416 4.720 ( -3.086 -4.246 -0.000) 5.249 4.797 ( -2.608 -23.287 -0.000) 23.432 4.922 ( -3.807 -10.424 -0.000) 11.097 5.134 ( -4.568 -14.310 -0.000) 15.021 5.461 ( -0.640 -14.429 -0.000) 14.443 5.659 ( -13.958 -17.657 -0.000) 22.508 5.970 ( 11.356 -10.900 -0.000) 15.740 6.063 ( -2.486 -10.345 -0.000) 10.640 6.167 ( -0.634 -14.977 -0.000) 14.991 6.490 ( -2.484 -12.270 -0.000) 12.519 6.558 ( 3.744 -8.759 -0.000) 9.526 7.389 ( 9.670 -10.541 -0.000) 14.304 7.672 ( 12.186 3.965 0.000) 12.815 8.068 ( 3.624 -0.197 -0.000) 3.629 8.188 ( 3.450 -6.109 -0.000) 7.016 8.351 ( -2.846 -7.535 -0.000) 8.055 8.664 ( -2.104 -12.485 -0.000) 12.661 8.698 ( -2.306 -2.150 -0.000) 3.153 8.835 ( 1.096 -34.259 -0.000) 34.277 9.374 ( -2.333 -32.555 -0.000) 32.639 9.501 ( -5.086 -26.949 -0.000) 27.425 10.528 ( -3.724 -16.711 -0.000) 17.121 11.638 ( 15.617 -10.615 -0.000) 18.883 12.101 ( -6.969 -15.666 -0.000) 17.147 ======================= Grid point 82 (65/105) ======================= q-point: (-0.61 -0.39 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -4.592 -8.697 -0.000) 9.835 2.079 ( -5.389 -8.914 -0.000) 10.416 2.312 ( -5.266 1.997 0.000) 5.632 2.358 ( -4.108 5.887 0.000) 7.178 2.396 ( -2.350 3.785 0.000) 4.455 2.528 ( -8.694 -1.000 -0.000) 8.752 2.605 ( -8.848 0.064 0.000) 8.848 2.680 ( -3.870 8.389 0.000) 9.239 2.795 ( -4.405 -2.537 -0.000) 5.083 2.978 ( -7.234 -0.509 -0.000) 7.252 3.084 ( -11.733 -6.268 -0.000) 13.302 3.331 ( -9.730 -8.446 -0.000) 12.884 3.616 ( -12.561 8.682 0.000) 15.269 3.778 ( -11.962 9.210 0.000) 15.096 4.082 ( -17.849 -5.468 -0.000) 18.668 4.422 ( -3.832 -5.066 -0.000) 6.352 4.527 ( -18.329 -8.322 -0.000) 20.130 4.570 ( -11.398 -7.604 -0.000) 13.701 4.752 ( 0.314 -5.156 -0.000) 5.165 4.794 ( -1.471 -0.987 -0.000) 1.771 4.835 ( 4.567 -6.517 -0.000) 7.958 5.014 ( -17.161 2.996 0.000) 17.420 5.197 ( 3.685 2.189 0.000) 4.286 5.519 ( -16.222 -5.382 -0.000) 17.091 6.105 ( -1.045 -15.834 -0.000) 15.869 6.236 ( -3.864 7.136 0.000) 8.115 6.330 ( -12.622 -4.568 -0.000) 13.423 6.959 ( -2.510 -2.866 -0.000) 3.810 6.986 ( -14.696 -2.062 -0.000) 14.840 7.958 ( 1.761 -0.960 -0.000) 2.005 8.065 ( -21.333 0.076 0.000) 21.333 8.311 ( -10.958 -3.152 -0.000) 11.402 8.563 ( 15.488 -0.907 -0.000) 15.515 8.569 ( 9.491 -3.909 -0.000) 10.265 8.660 ( -1.133 4.974 0.000) 5.101 9.684 ( 24.365 -6.572 -0.000) 25.236 9.820 ( -0.405 -9.969 -0.000) 9.977 10.619 ( 8.858 -14.236 -0.000) 16.767 10.770 ( 13.281 -0.418 -0.000) 13.288 11.947 ( 26.171 -13.202 -0.000) 29.312 12.444 ( 9.791 1.623 0.000) 9.924 12.757 ( 3.885 -5.097 -0.000) 6.409 ======================= Grid point 84 (66/105) ======================= q-point: ( 0.28 0.22 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 5.305 0.673 0.650) 5.387 2.366 ( 2.044 1.487 2.710) 3.706 2.454 ( 8.484 -0.363 -3.446) 9.165 2.501 ( 4.124 -2.885 2.067) 5.441 2.587 ( 0.406 -1.435 2.572) 2.973 2.733 ( 3.910 -0.600 -6.967) 8.012 2.839 ( 7.924 1.365 -3.991) 8.977 2.911 ( 4.636 -2.076 6.843) 8.523 3.074 ( 9.711 4.533 -0.087) 10.717 3.228 ( -2.189 -0.240 -2.196) 3.110 3.420 ( 5.824 5.448 4.339) 9.079 3.609 ( 2.917 -1.438 -3.354) 4.672 3.736 ( -5.416 2.804 0.365) 6.109 4.004 ( 3.854 -4.710 -3.167) 6.861 4.318 ( -10.607 0.573 1.627) 10.746 4.397 ( -4.947 2.880 2.846) 6.393 4.514 ( -1.932 3.666 0.459) 4.169 4.857 ( 10.435 7.648 6.201) 14.347 5.018 ( 6.711 3.028 -9.277) 11.844 5.158 ( 9.388 3.546 0.917) 10.078 5.251 ( 10.424 2.381 0.657) 10.712 5.338 ( 8.192 3.644 -1.849) 9.154 5.745 ( 12.987 3.836 1.176) 13.592 6.059 ( 8.249 8.748 0.408) 12.031 6.141 ( 5.491 0.675 4.104) 6.888 6.363 ( 2.583 0.520 -2.673) 3.753 6.728 ( 4.696 4.644 -0.489) 6.622 6.943 ( -4.567 5.940 -1.817) 7.710 7.107 ( -7.108 4.090 -2.405) 8.546 7.651 ( -22.905 -2.749 4.146) 23.439 7.987 ( -5.639 -1.120 0.033) 5.749 8.070 ( -9.493 2.406 -1.365) 9.888 8.421 ( -6.904 -0.089 2.841) 7.467 8.653 ( 1.505 3.296 1.727) 4.014 8.690 ( -0.081 -0.083 -2.897) 2.900 8.874 ( 3.047 3.220 -0.261) 4.441 9.736 ( -2.246 6.646 -2.711) 7.521 10.324 ( -4.664 9.178 1.017) 10.345 10.591 ( 3.037 8.054 0.785) 8.643 11.343 ( -6.826 11.339 -3.110) 13.595 12.125 ( -1.601 8.042 5.971) 10.144 12.779 ( 1.220 5.774 -3.075) 6.654 ======================= Grid point 85 (67/105) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.000 18.007 0.000) 18.007 1.585 ( -0.000 19.416 0.000) 19.416 1.964 ( -0.000 6.561 0.000) 6.561 2.004 ( -0.000 6.817 0.000) 6.817 2.084 ( -0.000 10.203 0.000) 10.203 2.110 ( -0.000 7.911 0.000) 7.911 2.495 ( -0.000 3.044 0.000) 3.044 2.562 ( 0.000 -1.302 -0.000) 1.302 2.626 ( -0.000 1.362 0.000) 1.362 2.712 ( 0.000 -12.577 -0.000) 12.577 2.807 ( 0.000 -11.913 -0.000) 11.913 2.910 ( -0.000 33.142 0.000) 33.142 2.973 ( 0.000 -10.893 -0.000) 10.893 3.096 ( 0.000 -12.830 -0.000) 12.830 3.113 ( 0.000 -9.433 -0.000) 9.433 3.518 ( -0.000 11.987 0.000) 11.987 4.218 ( -0.000 0.549 0.000) 0.549 4.396 ( -0.000 13.426 0.000) 13.426 4.437 ( -0.000 4.516 0.000) 4.516 4.601 ( -0.000 14.608 0.000) 14.608 4.640 ( -0.000 10.037 0.000) 10.037 4.679 ( -0.000 13.178 0.000) 13.178 5.023 ( -0.000 10.338 0.000) 10.338 5.089 ( -0.000 14.553 0.000) 14.553 5.140 ( -0.000 10.228 0.000) 10.228 5.513 ( -0.000 7.009 0.000) 7.009 5.844 ( -0.000 6.655 0.000) 6.655 6.816 ( -0.000 10.832 0.000) 10.832 7.009 ( 0.000 -7.150 -0.000) 7.150 7.081 ( -0.000 1.735 0.000) 1.735 7.803 ( 0.000 -0.696 -0.000) 0.696 8.059 ( -0.000 6.854 0.000) 6.854 8.202 ( -0.000 4.044 0.000) 4.044 8.715 ( 0.000 -0.508 -0.000) 0.508 8.824 ( -0.000 14.642 0.000) 14.642 9.231 ( -0.000 27.831 0.000) 27.831 10.025 ( -0.000 29.531 0.000) 29.531 10.713 ( -0.000 20.342 0.000) 20.342 11.307 ( -0.000 6.307 0.000) 6.307 12.925 ( -0.000 4.065 0.000) 4.065 13.050 ( -0.000 1.427 0.000) 1.427 13.096 ( -0.000 1.647 0.000) 1.647 ======================= Grid point 88 (68/105) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -21.774 -0.000 -7.070) 22.893 1.325 ( -16.075 -0.000 -18.409) 24.440 1.716 ( -10.778 0.000 14.477) 18.048 1.855 ( -13.827 0.000 11.233) 17.815 2.160 ( -39.047 -0.000 -8.028) 39.864 2.277 ( -14.303 -0.000 -8.418) 16.596 2.351 ( -3.474 -0.000 -14.579) 14.987 2.631 ( -11.335 0.000 7.911) 13.823 2.822 ( -14.904 0.000 18.509) 23.763 2.832 ( -17.513 -0.000 -6.962) 18.846 3.049 ( -6.295 0.000 -0.047) 6.295 3.049 ( -1.053 0.000 8.556) 8.621 3.227 ( -3.592 0.000 9.087) 9.772 3.317 ( -4.631 0.000 1.903) 5.006 3.370 ( -11.623 0.000 5.908) 13.039 3.561 ( 2.592 -0.000 -3.780) 4.584 3.728 ( -12.217 -0.000 -9.791) 15.656 3.817 ( 4.002 -0.000 -2.900) 4.943 3.917 ( -10.282 -0.000 -7.900) 12.967 4.162 ( 4.082 -0.000 -12.305) 12.964 4.393 ( 0.305 0.000 6.724) 6.731 4.533 ( -17.344 0.000 3.137) 17.626 4.739 ( -16.058 -0.000 -5.284) 16.905 4.811 ( 8.044 -0.000 0.929) 8.097 4.964 ( 4.908 -0.000 -0.317) 4.918 5.140 ( -27.009 0.000 9.968) 28.790 5.357 ( -20.949 0.000 -1.444) 20.999 6.030 ( -21.035 0.000 8.316) 22.619 6.947 ( -9.687 -0.000 -6.563) 11.701 7.095 ( 11.847 -0.000 0.602) 11.862 7.846 ( -1.162 0.000 10.586) 10.649 7.943 ( 7.225 -0.000 -13.137) 14.992 8.085 ( 5.165 -0.000 -1.865) 5.492 8.201 ( 5.285 0.000 2.906) 6.031 8.403 ( -0.366 -0.000 -18.640) 18.643 8.444 ( 4.199 -0.000 -0.398) 4.218 8.550 ( -5.731 0.000 0.505) 5.753 9.291 ( 11.452 0.000 19.184) 22.342 10.456 ( 24.343 -0.000 -6.746) 25.260 11.780 ( 38.330 0.000 8.585) 39.279 12.250 ( 26.670 -0.000 -11.453) 29.025 12.790 ( 5.187 0.000 12.450) 13.487 ======================= Grid point 89 (69/105) ======================= q-point: (-0.29 0.29 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 6.170 0.117 -0.000) 6.171 2.549 ( 2.108 -0.533 -0.000) 2.174 2.574 ( -0.352 -3.066 -0.000) 3.086 2.579 ( 2.649 0.949 0.000) 2.814 2.722 ( 3.051 -1.260 -0.000) 3.301 2.783 ( -2.554 2.157 0.000) 3.343 2.826 ( 9.428 -1.137 -0.000) 9.497 2.888 ( 3.127 -7.425 -0.000) 8.056 3.049 ( 1.586 -10.059 -0.000) 10.183 3.097 ( -3.807 3.118 0.000) 4.921 3.181 ( -3.573 -9.657 -0.000) 10.297 3.199 ( 0.682 -18.037 -0.000) 18.049 3.246 ( -9.730 0.143 0.000) 9.732 3.348 ( -6.355 -8.983 -0.000) 11.004 3.992 ( 0.992 -5.004 -0.000) 5.101 4.039 ( 0.931 0.770 0.000) 1.208 4.300 ( 2.775 -3.351 -0.000) 4.351 4.311 ( -3.291 -4.162 -0.000) 5.306 4.433 ( 0.341 -10.937 -0.000) 10.942 4.639 ( 3.157 -3.591 -0.000) 4.781 4.749 ( 4.622 -17.995 -0.000) 18.579 4.793 ( -0.238 -6.351 -0.000) 6.355 5.164 ( 4.329 -10.405 -0.000) 11.269 5.357 ( 19.449 -14.076 -0.000) 24.008 5.693 ( -16.510 -8.089 -0.000) 18.385 5.887 ( -0.037 -7.694 -0.000) 7.694 5.992 ( -6.010 -8.230 -0.000) 10.192 6.341 ( 1.843 -5.640 -0.000) 5.934 6.394 ( -9.661 -9.717 -0.000) 13.702 7.038 ( 5.675 -7.718 -0.000) 9.580 7.606 ( -2.228 1.707 0.000) 2.807 7.986 ( -3.122 -9.302 -0.000) 9.812 8.034 ( -3.221 -26.317 -0.000) 26.513 8.118 ( -1.061 -7.673 -0.000) 7.746 8.209 ( -0.367 -4.904 -0.000) 4.918 8.349 ( -0.005 -15.637 -0.000) 15.637 8.656 ( 1.787 -1.701 -0.000) 2.467 9.071 ( -14.168 -12.521 -0.000) 18.908 9.265 ( 1.783 -9.421 -0.000) 9.589 10.266 ( -1.233 -8.503 -0.000) 8.592 11.056 ( 21.056 -7.297 -0.000) 22.284 12.123 ( -14.679 -4.909 -0.000) 15.478 ======================= Grid point 91 (70/105) ======================= q-point: (-0.51 -0.49 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -12.194 -0.449 -0.000) 12.202 2.138 ( -12.217 -2.201 -0.000) 12.414 2.352 ( -2.577 -4.887 -0.000) 5.525 2.506 ( -3.950 -5.903 -0.000) 7.103 2.544 ( -2.493 5.212 0.000) 5.778 2.567 ( -5.292 0.448 0.000) 5.311 2.781 ( -8.857 -2.349 -0.000) 9.163 2.881 ( -10.513 -3.893 -0.000) 11.210 2.949 ( 1.731 12.010 0.000) 12.135 3.066 ( -1.725 0.840 0.000) 1.918 3.189 ( -4.167 -2.183 -0.000) 4.705 3.359 ( -6.761 -6.088 -0.000) 9.098 3.982 ( -5.588 6.465 0.000) 8.545 4.022 ( 2.622 3.012 0.000) 3.994 4.291 ( -14.187 -8.424 -0.000) 16.500 4.307 ( -2.123 -12.099 -0.000) 12.284 4.441 ( -0.302 -8.665 -0.000) 8.670 4.524 ( -2.628 -13.959 -0.000) 14.204 4.650 ( -2.348 -9.876 -0.000) 10.151 4.729 ( -10.704 -8.555 -0.000) 13.703 4.837 ( -17.157 -8.510 -0.000) 19.152 5.107 ( 0.526 -6.409 -0.000) 6.431 5.375 ( -15.294 -5.318 -0.000) 16.192 5.525 ( -11.585 -21.601 -0.000) 24.511 5.926 ( -11.749 -11.622 -0.000) 16.526 6.339 ( 2.890 2.168 0.000) 3.613 6.382 ( -8.316 -12.478 -0.000) 14.995 6.868 ( 0.633 -7.629 -0.000) 7.655 7.014 ( 2.782 -9.325 -0.000) 9.731 7.902 ( -4.542 -6.896 -0.000) 8.257 8.206 ( 15.531 -0.260 -0.000) 15.534 8.208 ( 14.569 -3.988 -0.000) 15.105 8.410 ( -14.536 -4.721 -0.000) 15.284 8.465 ( -8.922 -2.309 -0.000) 9.215 8.718 ( 6.182 3.660 0.000) 7.184 8.981 ( 20.352 -13.354 -0.000) 24.342 9.418 ( 3.999 -21.789 -0.000) 22.153 10.173 ( -1.115 -21.892 -0.000) 21.921 10.269 ( 14.078 -19.929 -0.000) 24.400 10.975 ( 16.541 -33.312 -0.000) 37.193 12.246 ( 7.845 -4.151 -0.000) 8.876 12.457 ( 4.335 -14.997 -0.000) 15.611 ======================= Grid point 94 (71/105) ======================= q-point: ( 0.26 -0.26 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -8.190 9.214 0.000) 12.328 1.948 ( -3.208 9.608 0.000) 10.130 2.080 ( -1.399 3.801 0.000) 4.050 2.110 ( 1.976 6.366 0.000) 6.666 2.342 ( -1.897 2.327 0.000) 3.003 2.354 ( -7.873 3.080 0.000) 8.454 2.414 ( 3.534 -5.867 -0.000) 6.849 2.436 ( 1.127 -4.152 -0.000) 4.302 2.614 ( -1.730 -4.529 -0.000) 4.848 2.669 ( 0.503 -3.031 -0.000) 3.072 2.771 ( -14.909 -0.949 -0.000) 14.939 2.830 ( -10.063 1.960 0.000) 10.252 2.967 ( -13.702 -6.033 -0.000) 14.971 3.121 ( -14.217 -9.769 -0.000) 17.250 3.647 ( -6.321 11.974 0.000) 13.540 3.760 ( -11.375 14.113 0.000) 18.127 4.169 ( -4.499 -7.007 -0.000) 8.327 4.382 ( -3.042 -8.755 -0.000) 9.268 4.490 ( 6.315 3.983 0.000) 7.466 4.851 ( 0.521 7.168 0.000) 7.187 4.871 ( -6.943 5.082 0.000) 8.604 4.961 ( -4.043 3.728 0.000) 5.499 5.121 ( 7.732 5.567 0.000) 9.528 5.326 ( 3.367 7.666 0.000) 8.373 5.482 ( -16.972 4.941 0.000) 17.676 5.820 ( -18.196 5.022 0.000) 18.877 6.000 ( -7.620 0.712 0.000) 7.653 6.783 ( 2.923 -10.757 -0.000) 11.147 6.940 ( 5.415 9.361 0.000) 10.815 7.276 ( -12.687 0.881 0.000) 12.718 7.886 ( -9.484 -1.867 -0.000) 9.666 8.105 ( 5.034 3.486 0.000) 6.124 8.359 ( -6.169 4.097 0.000) 7.406 8.725 ( -1.823 -1.052 -0.000) 2.105 8.944 ( 3.409 2.192 0.000) 4.053 9.721 ( -1.705 12.864 0.000) 12.976 10.395 ( 7.685 10.309 0.000) 12.858 11.014 ( 7.652 16.653 0.000) 18.327 11.250 ( 6.906 -5.278 -0.000) 8.692 12.878 ( 7.156 1.270 0.000) 7.268 12.932 ( 11.067 0.183 -0.000) 11.068 13.056 ( 11.677 3.387 0.000) 12.158 ======================= Grid point 98 (72/105) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 10.856 0.000 -0.000) 10.856 2.452 ( 4.096 0.000 -0.000) 4.096 2.466 ( 17.568 0.000 -0.000) 17.568 2.499 ( 10.000 0.000 -0.000) 10.000 2.513 ( 5.829 0.000 -0.000) 5.829 2.611 ( 6.309 0.000 -0.000) 6.309 2.832 ( -7.665 -0.000 0.000) 7.665 2.896 ( -4.123 -0.000 0.000) 4.123 2.971 ( -7.132 -0.000 0.000) 7.132 3.082 ( -3.059 -0.000 0.000) 3.059 3.098 ( -4.998 -0.000 0.000) 4.998 3.289 ( -3.656 -0.000 0.000) 3.656 3.312 ( -4.061 -0.000 0.000) 4.061 3.431 ( -8.585 -0.000 0.000) 8.585 4.070 ( 4.147 0.000 -0.000) 4.147 4.115 ( 7.671 0.000 -0.000) 7.671 4.116 ( -10.909 -0.000 0.000) 10.909 4.128 ( 12.106 0.000 -0.000) 12.106 4.370 ( 0.772 0.000 -0.000) 0.772 4.393 ( 8.655 0.000 -0.000) 8.655 4.524 ( 3.417 0.000 -0.000) 3.417 4.673 ( 5.092 0.000 -0.000) 5.092 4.824 ( 12.742 0.000 -0.000) 12.742 4.843 ( 13.472 0.000 -0.000) 13.472 5.696 ( 9.055 0.000 -0.000) 9.055 6.000 ( -0.097 -0.000 0.000) 0.097 6.036 ( -20.812 -0.000 0.000) 20.812 6.282 ( -3.624 -0.000 0.000) 3.624 6.511 ( -10.867 -0.000 0.000) 10.867 6.853 ( 1.968 0.000 -0.000) 1.968 7.737 ( -3.599 -0.000 0.000) 3.599 7.895 ( -3.870 -0.000 0.000) 3.870 7.960 ( -26.048 -0.000 0.000) 26.048 8.127 ( -4.339 -0.000 0.000) 4.339 8.198 ( -2.319 -0.000 0.000) 2.319 8.333 ( -11.258 -0.000 0.000) 11.258 8.548 ( 4.955 0.000 -0.000) 4.955 8.835 ( 26.589 0.000 -0.000) 26.589 9.224 ( -8.321 -0.000 0.000) 8.321 10.370 ( -15.790 -0.000 0.000) 15.790 10.598 ( 11.343 0.000 -0.000) 11.343 12.393 ( -14.281 -0.000 0.000) 14.281 ======================= Grid point 99 (73/105) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 -18.351 -17.950) 25.670 0.850 ( 0.000 -20.067 -16.856) 26.207 1.429 ( 0.000 -32.077 -27.749) 42.414 1.469 ( -0.000 -7.224 15.174) 16.806 1.528 ( -0.000 -7.930 13.502) 15.658 1.947 ( 0.000 -3.955 -9.201) 10.015 2.143 ( 0.000 -14.590 -2.215) 14.757 2.285 ( 0.000 2.995 -17.682) 17.934 2.345 ( -0.000 -1.358 7.088) 7.217 2.636 ( 0.000 -0.780 -4.565) 4.631 2.773 ( -0.000 -13.489 26.734) 29.945 3.021 ( -0.000 4.612 14.457) 15.175 3.083 ( -0.000 -21.047 23.542) 31.579 3.257 ( 0.000 -12.176 12.679) 17.579 3.264 ( 0.000 -0.790 0.299) 0.844 3.389 ( -0.000 3.450 -0.010) 3.450 3.519 ( -0.000 -8.555 25.162) 26.577 3.693 ( 0.000 -3.632 -5.550) 6.633 3.783 ( 0.000 -1.959 -4.116) 4.558 3.971 ( 0.000 -10.735 -11.426) 15.678 4.124 ( 0.000 -8.159 4.383) 9.262 4.496 ( -0.000 -6.044 7.003) 9.251 4.561 ( 0.000 -11.168 -22.418) 25.046 4.724 ( 0.000 -7.694 -2.854) 8.207 4.980 ( 0.000 1.876 -5.033) 5.371 5.081 ( 0.000 -6.353 2.572) 6.854 5.339 ( 0.000 -10.202 6.429) 12.059 5.889 ( -0.000 -11.537 36.797) 38.564 7.032 ( 0.000 -1.080 -2.500) 2.724 7.374 ( 0.000 -1.685 -0.675) 1.815 7.642 ( -0.000 -1.381 10.400) 10.491 7.942 ( 0.000 -5.918 -31.986) 32.529 8.105 ( 0.000 2.102 -21.172) 21.276 8.251 ( 0.000 -0.842 -13.132) 13.159 8.431 ( 0.000 -11.624 -1.500) 11.721 8.664 ( -0.000 -0.270 5.740) 5.747 8.724 ( 0.000 -26.101 -9.748) 27.862 9.682 ( -0.000 -16.139 23.279) 28.327 10.995 ( 0.000 -5.673 -4.268) 7.099 12.679 ( 0.000 -3.645 2.132) 4.222 12.893 ( -0.000 -2.688 4.893) 5.583 13.196 ( 0.000 0.375 -0.487) 0.614 ======================= Grid point 100 (74/105) ======================= q-point: (-0.42 -0.58 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -2.582 -3.085 -0.000) 4.023 2.400 ( -9.374 -1.057 -0.000) 9.433 2.403 ( -13.796 3.884 0.000) 14.333 2.508 ( -11.659 -1.623 -0.000) 11.772 2.661 ( -1.971 -0.717 -0.000) 2.097 2.679 ( 0.203 5.274 0.000) 5.278 2.824 ( -4.137 -5.877 -0.000) 7.187 2.966 ( -2.277 -8.434 -0.000) 8.736 3.012 ( -4.274 -4.153 -0.000) 5.959 3.089 ( -1.668 -2.243 -0.000) 2.795 3.190 ( 8.488 10.455 0.000) 13.467 3.291 ( 1.010 -6.366 -0.000) 6.446 3.849 ( 12.708 -4.866 -0.000) 13.607 3.929 ( 6.550 -15.160 -0.000) 16.514 4.145 ( -2.611 -4.713 -0.000) 5.388 4.153 ( -2.000 -10.394 -0.000) 10.585 4.327 ( -1.908 -6.603 -0.000) 6.873 4.370 ( -8.092 -11.614 -0.000) 14.155 4.635 ( -5.565 -2.238 -0.000) 5.998 4.660 ( -8.353 -18.096 -0.000) 19.931 4.899 ( 0.573 -11.906 -0.000) 11.920 4.949 ( -12.829 -11.929 -0.000) 17.518 5.321 ( -18.425 -23.773 -0.000) 30.077 5.394 ( -6.098 -13.160 -0.000) 14.505 5.945 ( -9.379 -9.856 -0.000) 13.606 6.158 ( 2.742 -12.157 -0.000) 12.463 6.196 ( 6.375 -7.314 -0.000) 9.702 6.586 ( 10.686 -12.071 -0.000) 16.121 6.639 ( 3.682 -9.361 -0.000) 10.059 7.630 ( 10.978 -11.717 -0.000) 16.056 7.945 ( 11.793 1.480 0.000) 11.885 8.048 ( -3.297 -1.576 -0.000) 3.655 8.324 ( 6.667 -11.171 -0.000) 13.009 8.419 ( 8.380 -9.753 -0.000) 12.859 8.598 ( -6.986 -2.092 -0.000) 7.293 8.612 ( 0.016 -4.649 -0.000) 4.649 8.882 ( 2.595 -26.145 -0.000) 26.274 9.447 ( 10.340 -30.830 -0.000) 32.517 9.476 ( 5.764 -34.739 -0.000) 35.214 10.345 ( -12.893 -20.833 -0.000) 24.500 11.931 ( 12.850 -5.814 -0.000) 14.104 12.044 ( 1.592 -15.586 -0.000) 15.667 ======================= Grid point 103 (75/105) ======================= q-point: (-0.65 -0.35 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -1.259 -11.490 -0.000) 11.558 1.993 ( -3.171 -11.544 -0.000) 11.972 2.206 ( -5.074 1.295 0.000) 5.236 2.277 ( -5.718 5.132 0.000) 7.684 2.369 ( 0.245 5.750 0.000) 5.755 2.370 ( -4.466 -0.443 -0.000) 4.488 2.452 ( -6.059 -0.591 -0.000) 6.088 2.552 ( -6.650 1.515 0.000) 6.820 2.658 ( -10.292 -1.983 -0.000) 10.481 2.792 ( -10.082 -0.034 0.000) 10.082 2.922 ( -3.546 0.692 0.000) 3.613 3.105 ( -11.857 -4.294 -0.000) 12.610 3.330 ( -15.190 6.142 0.000) 16.384 3.444 ( -19.084 8.812 0.000) 21.020 3.767 ( -11.334 -6.894 -0.000) 13.266 4.157 ( -15.318 -13.916 -0.000) 20.696 4.273 ( -15.801 -10.563 -0.000) 19.006 4.388 ( 0.258 -5.139 -0.000) 5.145 4.492 ( -16.880 8.118 0.000) 18.731 4.846 ( 3.763 -3.009 -0.000) 4.818 4.914 ( 3.250 -4.109 -0.000) 5.239 4.991 ( 7.515 -1.237 -0.000) 7.616 5.162 ( -14.876 -4.368 -0.000) 15.504 5.320 ( 4.501 1.353 0.000) 4.700 5.908 ( -21.692 -4.123 -0.000) 22.080 6.081 ( -4.039 -12.399 -0.000) 13.040 6.161 ( -9.941 -2.929 -0.000) 10.364 6.649 ( -14.365 -5.635 -0.000) 15.431 6.977 ( 4.901 3.825 0.000) 6.217 7.630 ( -19.991 0.500 0.000) 19.997 8.023 ( 0.830 -0.266 -0.000) 0.872 8.081 ( -7.950 -2.595 -0.000) 8.363 8.577 ( -6.177 3.607 0.000) 7.153 8.691 ( 2.506 -2.606 -0.000) 3.616 8.813 ( 8.796 -2.311 -0.000) 9.094 9.778 ( -2.604 -10.731 -0.000) 11.043 10.128 ( 18.098 -8.491 -0.000) 19.991 10.826 ( 10.041 -17.465 -0.000) 20.146 11.042 ( 12.410 3.665 0.000) 12.940 12.511 ( 26.360 -7.695 -0.000) 27.460 12.677 ( 12.178 -0.710 -0.000) 12.199 12.870 ( 6.895 -1.425 -0.000) 7.041 ======================= Grid point 105 (76/105) ======================= q-point: ( 0.24 0.26 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 1.956 0.503 1.398) 2.457 2.419 ( 3.494 -1.090 1.905) 4.126 2.494 ( -2.518 -4.430 -0.908) 5.175 2.612 ( 3.829 1.437 5.293) 6.689 2.637 ( 3.654 -0.575 -6.718) 7.669 2.750 ( -1.137 -1.188 -2.325) 2.848 2.935 ( 2.448 3.466 -3.204) 5.317 3.055 ( 5.987 0.884 4.822) 7.738 3.132 ( -1.846 0.583 -4.437) 4.841 3.269 ( 3.753 0.657 5.648) 6.813 3.536 ( 4.158 2.225 4.401) 6.451 3.579 ( -3.557 2.669 2.455) 5.080 3.692 ( 1.442 3.964 -10.059) 10.908 4.012 ( -2.028 1.162 -3.358) 4.092 4.097 ( -8.065 -3.769 2.672) 9.295 4.321 ( -1.592 1.504 3.320) 3.977 4.505 ( -0.028 2.076 -0.354) 2.107 5.027 ( 5.236 5.868 7.033) 10.551 5.103 ( 1.444 7.012 -8.383) 11.024 5.295 ( 3.548 2.633 0.642) 4.465 5.412 ( 4.790 3.747 0.643) 6.116 5.456 ( 2.703 1.835 -1.144) 3.461 5.922 ( 4.252 4.863 0.291) 6.467 6.157 ( 2.011 4.040 1.086) 4.642 6.272 ( 5.186 3.970 1.190) 6.638 6.403 ( 0.923 2.643 -0.793) 2.909 6.788 ( 1.558 3.737 0.413) 4.069 6.852 ( -3.424 10.674 -2.548) 11.496 6.954 ( -5.391 3.691 -2.166) 6.883 7.301 ( -9.395 -7.878 3.398) 12.723 7.770 ( -7.433 2.182 -2.282) 8.076 8.025 ( -0.447 -0.395 3.381) 3.433 8.318 ( -2.575 0.829 0.672) 2.787 8.560 ( -3.223 3.243 -1.384) 4.777 8.755 ( 2.398 0.598 -0.210) 2.481 8.995 ( 3.863 2.047 -0.320) 4.383 9.712 ( -0.382 6.346 -0.931) 6.426 10.266 ( -1.254 9.973 0.306) 10.056 10.643 ( 1.523 7.692 0.285) 7.846 11.258 ( -1.836 10.485 -0.924) 10.684 12.112 ( -0.088 8.116 2.265) 8.427 12.800 ( 0.628 7.431 -1.246) 7.561 ======================= Grid point 109 (77/105) ======================= q-point: (-0.21 -0.29 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -20.571 -0.000 -15.256) 25.611 0.982 ( -19.605 -0.000 -21.497) 29.094 1.319 ( -34.939 -0.000 -27.672) 44.570 1.530 ( -6.876 0.000 19.646) 20.815 1.554 ( -13.725 0.000 14.166) 19.724 2.035 ( -9.983 -0.000 -10.615) 14.572 2.257 ( -5.452 -0.000 -17.237) 18.079 2.422 ( -8.268 0.000 7.693) 11.293 2.557 ( -7.877 -0.000 -11.155) 13.655 2.593 ( -8.279 0.000 23.439) 24.859 2.839 ( -14.015 0.000 4.259) 14.648 2.945 ( -31.348 0.000 6.048) 31.926 3.011 ( -2.381 0.000 15.071) 15.258 3.194 ( -0.218 0.000 11.448) 11.451 3.264 ( -0.467 0.000 4.526) 4.550 3.525 ( -8.722 0.000 5.396) 10.256 3.624 ( 2.592 -0.000 -5.930) 6.472 3.771 ( -8.929 -0.000 -14.192) 16.767 3.881 ( 2.135 -0.000 -3.861) 4.412 3.881 ( -37.112 0.000 12.244) 39.080 4.223 ( -13.175 0.000 2.593) 13.428 4.296 ( 3.769 -0.000 -12.932) 13.470 4.429 ( 2.092 0.000 6.419) 6.752 4.802 ( -12.395 -0.000 -9.900) 15.863 4.938 ( 4.226 0.000 0.823) 4.305 5.042 ( 2.608 -0.000 -0.333) 2.629 5.202 ( 1.183 0.000 6.032) 6.147 5.716 ( -6.461 0.000 13.028) 14.542 6.863 ( 2.353 -0.000 -9.937) 10.212 7.282 ( 6.265 -0.000 0.782) 6.314 7.702 ( -7.397 0.000 12.194) 14.262 8.070 ( -0.323 -0.000 -28.471) 28.473 8.171 ( 2.977 -0.000 -1.980) 3.575 8.290 ( 3.122 0.000 3.050) 4.365 8.313 ( -7.099 -0.000 -19.120) 20.395 8.515 ( 2.544 -0.000 -0.430) 2.580 8.583 ( 5.758 0.000 5.744) 8.134 9.451 ( 4.287 0.000 24.135) 24.513 10.824 ( 11.481 -0.000 -5.212) 12.609 12.403 ( 21.527 0.000 4.455) 21.984 12.731 ( 13.996 -0.000 -0.213) 13.997 12.942 ( 13.695 -0.000 2.424) 13.908 ======================= Grid point 110 (78/105) ======================= q-point: (-0.32 -0.68 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -0.393 0.777 0.000) 0.871 2.502 ( -5.041 -0.574 -0.000) 5.074 2.603 ( -0.721 0.776 0.000) 1.059 2.609 ( 1.368 -2.857 -0.000) 3.167 2.696 ( -1.508 -8.152 -0.000) 8.290 2.758 ( 0.667 2.075 0.000) 2.179 2.828 ( -9.120 -5.893 -0.000) 10.858 2.835 ( -12.035 -2.486 -0.000) 12.289 3.045 ( 2.856 -8.315 -0.000) 8.792 3.063 ( -1.041 -0.063 -0.000) 1.043 3.100 ( -3.462 -4.893 -0.000) 5.994 3.191 ( 7.995 5.451 0.000) 9.677 3.360 ( 8.995 -16.845 -0.000) 19.096 3.385 ( 8.828 -13.022 -0.000) 15.732 4.032 ( 3.212 -7.055 -0.000) 7.752 4.063 ( 1.384 -0.126 -0.000) 1.389 4.272 ( -0.594 -2.430 -0.000) 2.502 4.299 ( -3.108 -4.241 -0.000) 5.258 4.390 ( -4.794 -11.910 -0.000) 12.839 4.667 ( -0.476 -1.223 -0.000) 1.313 4.753 ( -2.963 -5.462 -0.000) 6.214 4.790 ( -0.799 -17.141 -0.000) 17.159 5.191 ( -1.556 -10.070 -0.000) 10.190 5.307 ( -20.197 -14.616 -0.000) 24.931 5.735 ( 17.421 -10.295 -0.000) 20.235 5.876 ( -2.030 -6.803 -0.000) 7.100 5.919 ( -0.742 -8.324 -0.000) 8.357 6.275 ( -1.150 -7.566 -0.000) 7.653 6.389 ( 2.675 -6.403 -0.000) 6.939 7.202 ( 10.233 -6.643 -0.000) 12.200 7.723 ( 11.324 1.023 0.000) 11.371 7.964 ( 0.361 -9.564 -0.000) 9.571 8.035 ( 3.446 -16.333 -0.000) 16.692 8.127 ( 3.086 -17.679 -0.000) 17.946 8.247 ( 1.092 -2.455 -0.000) 2.687 8.359 ( 1.112 -15.419 -0.000) 15.459 8.626 ( -3.145 -5.516 -0.000) 6.349 8.852 ( -5.021 -12.997 -0.000) 13.933 9.129 ( -11.224 -9.621 -0.000) 14.783 10.262 ( -3.771 -8.421 -0.000) 9.227 11.483 ( 19.783 -4.489 -0.000) 20.286 11.865 ( -8.734 -6.941 -0.000) 11.156 ======================= Grid point 113 (79/105) ======================= q-point: (-0.55 -0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -9.566 -5.303 -0.000) 10.938 1.907 ( -9.961 -6.870 -0.000) 12.101 2.266 ( -5.680 -6.672 -0.000) 8.762 2.366 ( -8.831 -10.958 -0.000) 14.074 2.501 ( -2.112 6.553 0.000) 6.885 2.509 ( -0.956 7.163 0.000) 7.226 2.606 ( -7.769 0.242 0.000) 7.773 2.677 ( -9.141 -3.776 -0.000) 9.890 2.883 ( -8.626 2.618 0.000) 9.015 3.001 ( -6.316 2.379 0.000) 6.749 3.115 ( -2.401 9.932 0.000) 10.218 3.187 ( -8.411 -4.788 -0.000) 9.678 3.790 ( -12.340 6.739 0.000) 14.060 3.869 ( -16.913 -12.024 -0.000) 20.751 3.967 ( -14.702 6.253 0.000) 15.977 4.142 ( -14.933 -17.800 -0.000) 23.234 4.331 ( -10.573 -12.878 -0.000) 16.662 4.363 ( -13.939 -11.387 -0.000) 17.999 4.597 ( -1.314 -8.898 -0.000) 8.994 4.687 ( 3.076 -7.982 -0.000) 8.554 4.695 ( 6.034 -8.114 -0.000) 10.112 5.040 ( -15.874 -0.834 -0.000) 15.896 5.158 ( 3.264 -5.628 -0.000) 6.506 5.307 ( -10.963 -15.376 -0.000) 18.884 5.735 ( -4.565 -18.298 -0.000) 18.858 6.137 ( -15.686 -11.754 -0.000) 19.601 6.297 ( -9.179 -2.702 -0.000) 9.568 6.881 ( -14.838 -7.703 -0.000) 16.718 6.895 ( 4.315 -2.479 -0.000) 4.976 7.906 ( 4.469 -4.194 -0.000) 6.129 8.037 ( -19.618 -3.250 -0.000) 19.885 8.214 ( -10.747 -5.687 -0.000) 12.159 8.506 ( 9.103 -2.572 -0.000) 9.460 8.512 ( 12.171 -4.566 -0.000) 13.000 8.737 ( -3.065 1.807 0.000) 3.559 9.410 ( 20.742 -18.842 -0.000) 28.023 9.452 ( -2.047 -23.630 -0.000) 23.719 10.192 ( 4.610 -25.754 -0.000) 26.163 10.621 ( 19.070 -12.738 -0.000) 22.933 11.529 ( 34.392 -24.730 -0.000) 42.360 12.419 ( 9.353 -2.740 -0.000) 9.747 12.596 ( 9.066 -9.865 -0.000) 13.398 ======================= Grid point 116 (80/105) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 1.828 ( -0.000 8.947 0.000) 8.947 1.913 ( -0.000 10.849 0.000) 10.849 2.068 ( -0.000 2.443 0.000) 2.443 2.176 ( -0.000 7.243 0.000) 7.243 2.222 ( -0.000 2.635 0.000) 2.635 2.309 ( -0.000 8.201 0.000) 8.201 2.517 ( 0.000 -1.724 -0.000) 1.724 2.528 ( 0.000 -2.158 -0.000) 2.158 2.533 ( 0.000 -1.043 -0.000) 1.043 2.572 ( 0.000 -8.061 -0.000) 8.061 2.692 ( -0.000 7.739 0.000) 7.739 2.750 ( 0.000 -8.477 -0.000) 8.477 2.808 ( 0.000 -13.359 -0.000) 13.359 2.899 ( 0.000 -10.702 -0.000) 10.702 3.519 ( -0.000 23.877 0.000) 23.877 3.722 ( -0.000 5.990 0.000) 5.990 4.125 ( 0.000 -9.011 -0.000) 9.011 4.352 ( 0.000 -10.552 -0.000) 10.552 4.590 ( -0.000 4.228 0.000) 4.228 4.784 ( -0.000 3.201 0.000) 3.201 4.856 ( -0.000 8.707 0.000) 8.707 4.919 ( -0.000 8.474 0.000) 8.474 5.205 ( -0.000 4.980 0.000) 4.980 5.298 ( -0.000 4.390 0.000) 4.390 5.348 ( -0.000 9.386 0.000) 9.386 5.615 ( -0.000 2.894 0.000) 2.894 5.897 ( 0.000 -1.792 -0.000) 1.792 6.823 ( 0.000 -10.900 -0.000) 10.900 7.045 ( -0.000 10.701 0.000) 10.701 7.109 ( -0.000 0.914 0.000) 0.914 7.777 ( 0.000 -1.808 -0.000) 1.808 8.167 ( -0.000 3.585 0.000) 3.585 8.285 ( -0.000 3.771 0.000) 3.771 8.698 ( 0.000 -1.207 -0.000) 1.207 8.978 ( -0.000 2.656 0.000) 2.656 9.704 ( -0.000 13.451 0.000) 13.451 10.471 ( -0.000 11.804 0.000) 11.804 11.098 ( -0.000 15.814 0.000) 15.814 11.321 ( 0.000 -5.742 -0.000) 5.742 12.941 ( -0.000 0.386 0.000) 0.386 13.050 ( 0.000 -1.534 -0.000) 1.534 13.195 ( -0.000 4.217 0.000) 4.217 ======================= Grid point 120 (81/105) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 2.268 ( 7.133 0.000 -0.000) 7.133 2.535 ( 3.301 0.000 -0.000) 3.301 2.566 ( 0.995 0.000 -0.000) 0.995 2.659 ( -7.920 -0.000 0.000) 7.920 2.675 ( 6.213 0.000 -0.000) 6.213 2.687 ( 0.101 0.000 -0.000) 0.101 2.814 ( 12.903 0.000 -0.000) 12.903 2.830 ( -2.225 -0.000 0.000) 2.225 2.846 ( -3.974 -0.000 0.000) 3.974 3.063 ( 2.805 0.000 -0.000) 2.805 3.069 ( 1.391 0.000 -0.000) 1.391 3.168 ( -5.779 -0.000 0.000) 5.779 3.210 ( -4.933 -0.000 0.000) 4.933 3.240 ( -9.367 -0.000 0.000) 9.367 3.950 ( -4.673 -0.000 0.000) 4.673 4.072 ( -0.861 -0.000 0.000) 0.861 4.214 ( 2.121 0.000 -0.000) 2.121 4.312 ( 4.430 0.000 -0.000) 4.430 4.362 ( -1.271 -0.000 0.000) 1.271 4.484 ( 2.837 0.000 -0.000) 2.837 4.610 ( 3.840 0.000 -0.000) 3.840 4.729 ( 0.321 0.000 -0.000) 0.321 5.048 ( 5.967 0.000 -0.000) 5.967 5.191 ( 20.246 0.000 -0.000) 20.246 5.596 ( -22.012 -0.000 0.000) 22.012 5.803 ( 1.946 0.000 -0.000) 1.946 5.906 ( -5.942 -0.000 0.000) 5.942 6.280 ( 1.719 0.000 -0.000) 1.719 6.287 ( -8.258 -0.000 0.000) 8.258 6.958 ( 6.689 0.000 -0.000) 6.689 7.627 ( -4.110 -0.000 0.000) 4.110 7.689 ( -0.976 -0.000 0.000) 0.976 7.836 ( -1.802 -0.000 0.000) 1.802 8.078 ( -1.799 -0.000 0.000) 1.799 8.167 ( -0.700 -0.000 0.000) 0.700 8.182 ( -1.424 -0.000 0.000) 1.424 8.636 ( 0.980 0.000 -0.000) 0.980 8.951 ( -14.635 -0.000 0.000) 14.635 9.167 ( 3.217 0.000 -0.000) 3.217 10.181 ( -1.727 -0.000 0.000) 1.727 10.983 ( 22.435 0.000 -0.000) 22.435 12.075 ( -15.993 -0.000 0.000) 15.993 ======================= Grid point 122 (82/105) ======================= q-point: (-0.46 -0.54 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -15.520 2.631 0.000) 15.741 2.117 ( -15.678 -0.145 0.000) 15.679 2.224 ( -5.440 -6.433 -0.000) 8.425 2.325 ( -8.221 -8.024 -0.000) 11.488 2.608 ( -3.678 -1.997 -0.000) 4.185 2.688 ( 0.410 8.498 0.000) 8.508 2.723 ( -5.565 -2.888 -0.000) 6.270 2.832 ( -5.838 2.736 0.000) 6.447 2.997 ( -2.067 -4.735 -0.000) 5.166 3.089 ( 0.764 1.048 0.000) 1.297 3.254 ( -4.866 -4.347 -0.000) 6.525 3.329 ( 3.967 11.170 0.000) 11.854 3.934 ( -13.139 -10.165 -0.000) 16.612 4.000 ( -8.237 -14.242 -0.000) 16.453 4.018 ( -1.432 -11.671 -0.000) 11.759 4.138 ( 9.112 -9.666 -0.000) 13.284 4.204 ( -10.794 -8.835 -0.000) 13.949 4.230 ( -6.687 -8.675 -0.000) 10.953 4.496 ( -6.652 -3.375 -0.000) 7.459 4.574 ( -1.636 -6.259 -0.000) 6.469 4.645 ( -15.460 -8.541 -0.000) 17.663 4.916 ( -0.827 -17.758 -0.000) 17.777 4.979 ( -9.320 -22.553 -0.000) 24.403 5.215 ( -10.830 -9.809 -0.000) 14.612 5.691 ( -14.748 -10.744 -0.000) 18.246 6.095 ( -7.182 -13.718 -0.000) 15.484 6.336 ( 2.488 -1.965 -0.000) 3.170 6.703 ( 3.692 -8.072 -0.000) 8.876 6.798 ( 5.434 -10.506 -0.000) 11.829 7.688 ( -1.415 -12.643 -0.000) 12.722 8.117 ( 1.814 -9.215 -0.000) 9.392 8.144 ( 9.068 -2.234 -0.000) 9.339 8.276 ( -4.951 -7.782 -0.000) 9.223 8.407 ( -7.553 -3.990 -0.000) 8.542 8.652 ( 12.207 -17.590 -0.000) 21.411 8.721 ( 4.211 -4.352 -0.000) 6.055 8.922 ( 2.334 -24.164 -0.000) 24.276 9.674 ( 1.138 -23.572 -0.000) 23.599 9.797 ( 22.758 -21.760 -0.000) 31.487 10.264 ( 19.240 -30.446 -0.000) 36.016 12.151 ( 8.306 -13.000 -0.000) 15.427 12.168 ( 10.441 -2.583 -0.000) 10.756 ======================= Grid point 125 (83/105) ======================= q-point: (-0.68 -0.32 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -3.987 -8.793 -0.000) 9.655 1.937 ( 1.419 -10.271 -0.000) 10.368 2.101 ( -5.032 -2.187 -0.000) 5.487 2.148 ( -3.513 -4.288 -0.000) 5.543 2.318 ( -5.008 -1.528 -0.000) 5.236 2.356 ( -3.038 -0.979 -0.000) 3.192 2.434 ( 6.199 5.927 0.000) 8.576 2.463 ( 0.567 5.694 0.000) 5.723 2.492 ( -3.704 -5.109 -0.000) 6.311 2.612 ( -6.284 -2.318 -0.000) 6.698 2.839 ( -6.301 3.720 0.000) 7.317 2.879 ( -9.195 2.739 0.000) 9.594 2.997 ( -16.708 4.212 0.000) 17.231 3.069 ( -15.432 10.319 0.000) 18.564 3.664 ( 1.659 -7.540 -0.000) 7.721 3.923 ( -7.222 -16.092 -0.000) 17.638 3.971 ( -11.456 -3.121 -0.000) 11.873 4.223 ( -10.277 0.292 0.000) 10.281 4.457 ( 5.983 -7.395 -0.000) 9.512 4.885 ( -10.318 -3.992 -0.000) 11.064 4.913 ( 2.511 -1.221 -0.000) 2.792 4.971 ( 1.755 -2.974 -0.000) 3.453 5.159 ( 7.559 -1.840 -0.000) 7.779 5.414 ( 3.553 0.500 0.000) 3.587 5.467 ( -18.425 -6.312 -0.000) 19.476 5.850 ( -15.686 -2.373 -0.000) 15.864 5.920 ( -11.729 -8.042 -0.000) 14.221 6.526 ( 0.807 -13.545 -0.000) 13.569 7.111 ( 5.614 6.708 0.000) 8.747 7.297 ( -10.592 1.231 0.000) 10.663 7.832 ( -9.298 -3.171 -0.000) 9.824 8.151 ( 5.097 1.018 0.000) 5.197 8.435 ( -6.673 3.013 0.000) 7.322 8.692 ( -1.626 -2.043 -0.000) 2.611 8.938 ( 3.715 -2.663 -0.000) 4.571 9.736 ( -1.341 -11.359 -0.000) 11.437 10.408 ( 9.039 -8.846 -0.000) 12.647 10.996 ( 6.048 -18.766 -0.000) 19.717 11.252 ( 7.479 5.467 0.000) 9.264 12.901 ( 8.595 -2.708 -0.000) 9.012 12.909 ( 9.858 1.105 0.000) 9.919 13.053 ( 11.406 -3.522 -0.000) 11.937 ======================= Grid point 131 (84/105) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 0.000 -0.000 -26.396) 26.396 0.558 ( 0.000 -0.000 -27.522) 27.522 1.029 ( 0.000 -0.000 -51.705) 51.705 1.390 ( -0.000 0.000 16.949) 16.949 1.455 ( -0.000 0.000 21.788) 21.788 1.888 ( 0.000 -0.000 -5.993) 5.993 1.986 ( 0.000 -0.000 -6.882) 6.882 2.187 ( 0.000 -0.000 -17.557) 17.557 2.330 ( -0.000 0.000 7.668) 7.668 2.487 ( 0.000 -0.000 -13.143) 13.143 2.625 ( 0.000 -0.000 -4.596) 4.596 2.652 ( -0.000 0.000 33.817) 33.817 2.983 ( -0.000 0.000 17.416) 17.416 3.194 ( -0.000 0.000 11.832) 11.832 3.260 ( -0.000 0.000 0.709) 0.709 3.406 ( -0.000 0.000 20.145) 20.145 3.425 ( 0.000 -0.000 -0.024) 0.024 3.652 ( 0.000 -0.000 -6.573) 6.573 3.796 ( 0.000 -0.000 -22.687) 22.687 3.903 ( 0.000 -0.000 -4.212) 4.212 4.036 ( -0.000 0.000 4.495) 4.495 4.376 ( 0.000 -0.000 -9.777) 9.777 4.480 ( 0.000 -0.000 -4.867) 4.867 4.640 ( 0.000 -0.000 -3.005) 3.005 4.981 ( -0.000 0.000 0.715) 0.715 5.068 ( 0.000 -0.000 -0.322) 0.322 5.217 ( -0.000 0.000 6.879) 6.879 5.736 ( -0.000 0.000 39.729) 39.729 7.020 ( 0.000 -0.000 -2.718) 2.718 7.347 ( -0.000 0.000 0.870) 0.870 7.627 ( -0.000 0.000 10.966) 10.966 7.894 ( 0.000 -0.000 -51.990) 51.990 8.202 ( 0.000 -0.000 -2.029) 2.029 8.242 ( 0.000 -0.000 -13.681) 13.681 8.322 ( -0.000 0.000 3.102) 3.102 8.542 ( 0.000 -0.000 -0.446) 0.446 8.661 ( -0.000 0.000 5.947) 5.947 9.486 ( -0.000 0.000 25.683) 25.683 10.935 ( 0.000 -0.000 -4.585) 4.585 12.632 ( -0.000 0.000 3.863) 3.863 12.838 ( -0.000 0.000 0.316) 0.316 13.194 ( -0.000 0.000 0.962) 0.962 ======================= Grid point 132 (85/105) ======================= q-point: (-0.36 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -5.751 -1.333 -0.000) 5.904 2.363 ( -8.296 -1.606 -0.000) 8.450 2.459 ( -13.481 1.275 0.000) 13.541 2.490 ( -15.908 -0.626 -0.000) 15.920 2.602 ( -3.069 -4.442 -0.000) 5.399 2.705 ( -1.154 -3.795 -0.000) 3.966 2.752 ( 2.641 -10.125 -0.000) 10.463 2.812 ( 3.497 5.843 0.000) 6.809 3.028 ( -0.166 6.422 0.000) 6.424 3.069 ( 0.161 -1.825 -0.000) 1.832 3.126 ( 3.651 -8.730 -0.000) 9.463 3.390 ( 8.205 5.741 0.000) 10.013 3.503 ( 5.059 -18.491 -0.000) 19.170 3.597 ( 10.759 -16.502 -0.000) 19.700 4.042 ( -6.546 0.152 0.000) 6.548 4.078 ( -5.305 -2.154 -0.000) 5.726 4.195 ( -4.648 -5.314 -0.000) 7.060 4.234 ( -1.925 -7.462 -0.000) 7.706 4.295 ( -0.420 -10.483 -0.000) 10.491 4.616 ( -4.641 -0.076 0.000) 4.642 4.699 ( -3.058 -6.435 -0.000) 7.125 4.715 ( -6.282 -9.112 -0.000) 11.068 4.879 ( -20.172 -17.187 -0.000) 26.501 5.110 ( -5.968 -12.755 -0.000) 14.082 5.765 ( -9.387 -6.635 -0.000) 11.495 5.917 ( -0.123 -8.445 -0.000) 8.446 6.085 ( 15.730 -4.471 -0.000) 16.353 6.378 ( 10.902 -7.240 -0.000) 13.087 6.443 ( 2.322 -8.203 -0.000) 8.526 7.415 ( 7.704 -7.508 -0.000) 10.757 7.898 ( 4.370 -6.915 -0.000) 8.180 7.987 ( 2.525 -5.748 -0.000) 6.278 8.095 ( -0.064 -9.158 -0.000) 9.158 8.171 ( -4.803 -11.834 -0.000) 12.772 8.384 ( 17.219 -16.482 -0.000) 23.836 8.405 ( 4.454 -14.479 -0.000) 15.148 8.552 ( -6.605 -1.965 -0.000) 6.891 8.970 ( 2.821 -11.525 -0.000) 11.865 8.975 ( 17.920 -11.994 -0.000) 21.563 10.020 ( -18.654 -10.217 -0.000) 21.269 11.811 ( 3.104 -6.807 -0.000) 7.481 11.852 ( 16.068 -2.055 -0.000) 16.198 ======================= Grid point 135 (86/105) ======================= q-point: (-0.59 -0.41 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -4.603 -10.541 -0.000) 11.502 1.741 ( -6.020 -11.531 -0.000) 13.008 2.124 ( -7.968 -8.887 -0.000) 11.936 2.164 ( -10.647 -11.700 -0.000) 15.820 2.439 ( -5.208 0.774 0.000) 5.266 2.472 ( -5.182 2.371 0.000) 5.699 2.505 ( 0.740 6.762 0.000) 6.803 2.521 ( -5.617 0.844 0.000) 5.680 2.669 ( -9.492 2.648 0.000) 9.854 2.789 ( -12.583 -0.301 0.000) 12.587 3.046 ( -6.542 -0.084 0.000) 6.542 3.068 ( -2.459 8.921 0.000) 9.254 3.498 ( -17.316 -11.240 -0.000) 20.644 3.509 ( -14.403 8.378 0.000) 16.663 3.651 ( -14.894 3.829 0.000) 15.378 3.783 ( -16.906 -20.411 -0.000) 26.503 4.021 ( -16.753 -11.567 -0.000) 20.359 4.188 ( -3.381 -13.378 -0.000) 13.799 4.556 ( -8.156 -3.093 -0.000) 8.722 4.757 ( 3.022 -11.820 -0.000) 12.200 4.776 ( 0.167 -2.318 -0.000) 2.324 4.897 ( 5.919 -7.356 -0.000) 9.441 5.005 ( -14.590 -9.953 -0.000) 17.662 5.266 ( 4.339 -6.482 -0.000) 7.800 5.722 ( -24.335 -12.763 -0.000) 27.478 5.742 ( 2.784 -18.712 -0.000) 18.918 6.006 ( -16.503 -11.188 -0.000) 19.938 6.505 ( -19.081 -8.528 -0.000) 20.900 7.054 ( 9.823 3.250 0.000) 10.346 7.625 ( -19.466 -1.307 -0.000) 19.510 7.969 ( -9.847 -4.516 -0.000) 10.833 8.036 ( 4.614 -1.759 -0.000) 4.938 8.615 ( -5.691 -1.311 -0.000) 5.840 8.630 ( 2.903 -3.342 -0.000) 4.427 8.729 ( 6.470 -4.995 -0.000) 8.174 9.372 ( -4.279 -25.973 -0.000) 26.323 9.799 ( 16.357 -21.939 -0.000) 27.365 10.337 ( 8.138 -28.705 -0.000) 29.837 10.993 ( 15.968 -7.351 -0.000) 17.579 12.250 ( 33.195 -15.727 -0.000) 36.732 12.631 ( 10.987 -2.943 -0.000) 11.374 12.813 ( 11.397 -4.183 -0.000) 12.141 ======================= Grid point 142 (87/105) ======================= q-point: (-0.27 -0.73 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -0.780 -0.000 0.000) 0.780 2.489 ( -6.017 -0.000 0.000) 6.017 2.560 ( -1.047 -0.000 0.000) 1.047 2.611 ( 1.082 0.000 -0.000) 1.082 2.658 ( -0.777 -0.000 0.000) 0.777 2.696 ( -6.250 -0.000 0.000) 6.250 2.802 ( -12.688 -0.000 0.000) 12.688 2.804 ( 0.896 0.000 -0.000) 0.896 2.834 ( 2.627 0.000 -0.000) 2.627 3.106 ( -2.452 -0.000 0.000) 2.452 3.122 ( 5.968 0.000 -0.000) 5.968 3.159 ( 0.877 0.000 -0.000) 0.877 3.184 ( 7.307 0.000 -0.000) 7.307 3.261 ( 10.689 0.000 -0.000) 10.689 3.937 ( 3.315 0.000 -0.000) 3.315 4.079 ( 1.557 0.000 -0.000) 1.557 4.232 ( -0.362 -0.000 0.000) 0.362 4.304 ( -4.691 -0.000 0.000) 4.691 4.304 ( -5.270 -0.000 0.000) 5.270 4.543 ( 3.031 0.000 -0.000) 3.031 4.657 ( 0.468 0.000 -0.000) 0.468 4.697 ( -2.887 -0.000 0.000) 2.887 5.082 ( -2.527 -0.000 0.000) 2.527 5.135 ( -22.938 -0.000 0.000) 22.938 5.612 ( 20.598 0.000 -0.000) 20.598 5.802 ( -1.948 -0.000 0.000) 1.948 5.831 ( -1.139 -0.000 0.000) 1.139 6.194 ( -0.478 -0.000 0.000) 0.478 6.319 ( 1.958 0.000 -0.000) 1.958 7.131 ( 10.316 0.000 -0.000) 10.316 7.698 ( 1.860 0.000 -0.000) 1.860 7.771 ( 17.028 0.000 -0.000) 17.028 7.822 ( 0.492 0.000 -0.000) 0.492 8.051 ( -0.940 -0.000 0.000) 0.940 8.169 ( 0.910 0.000 -0.000) 0.910 8.224 ( 0.262 0.000 -0.000) 0.262 8.548 ( -4.389 -0.000 0.000) 4.389 8.756 ( -4.033 -0.000 0.000) 4.033 9.037 ( -11.576 -0.000 0.000) 11.576 10.176 ( -4.034 -0.000 0.000) 4.034 11.438 ( 21.111 0.000 -0.000) 21.111 11.796 ( -9.228 -0.000 0.000) 9.228 ======================= Grid point 145 (88/105) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -14.319 -0.088 0.000) 14.319 1.803 ( -14.545 -3.269 -0.000) 14.907 2.086 ( -8.026 -9.230 -0.000) 12.232 2.139 ( -10.101 -9.884 -0.000) 14.132 2.505 ( -5.947 -3.976 -0.000) 7.154 2.608 ( -5.502 0.144 0.000) 5.504 2.685 ( -0.952 9.409 0.000) 9.457 2.736 ( -4.584 7.055 0.000) 8.414 2.897 ( -7.317 0.049 0.000) 7.317 3.041 ( -8.338 0.765 0.000) 8.373 3.144 ( -3.200 0.232 0.000) 3.209 3.313 ( -7.260 4.802 0.000) 8.704 3.601 ( -15.041 -10.689 -0.000) 18.452 3.669 ( -19.016 -19.442 -0.000) 27.196 3.946 ( -13.472 -4.849 -0.000) 14.318 3.979 ( -17.508 -7.557 -0.000) 19.069 4.019 ( -3.387 -9.686 -0.000) 10.261 4.224 ( -7.223 1.274 0.000) 7.334 4.405 ( -3.759 -9.056 -0.000) 9.805 4.440 ( -6.922 -18.164 -0.000) 19.438 4.486 ( 6.544 -10.586 -0.000) 12.445 4.919 ( 3.117 -17.904 -0.000) 18.174 4.986 ( -10.575 -3.926 -0.000) 11.280 4.989 ( 1.993 -9.775 -0.000) 9.976 5.395 ( -11.168 -13.921 -0.000) 17.847 5.864 ( -15.692 -13.361 -0.000) 20.609 6.172 ( -18.163 -7.940 -0.000) 19.823 6.684 ( -15.300 -10.576 -0.000) 18.600 6.859 ( 11.006 -1.456 -0.000) 11.101 7.781 ( 9.648 -7.554 -0.000) 12.254 7.889 ( -16.737 -12.128 -0.000) 20.669 8.095 ( -10.426 -5.257 -0.000) 11.676 8.354 ( 6.218 -10.360 -0.000) 12.083 8.434 ( 6.365 -5.457 -0.000) 8.384 8.713 ( -2.883 -5.663 -0.000) 6.354 8.948 ( -2.258 -19.894 -0.000) 20.022 8.960 ( 17.054 -21.736 -0.000) 27.628 9.588 ( -0.855 -30.706 -0.000) 30.718 10.314 ( 25.854 -14.660 -0.000) 29.721 11.038 ( 45.656 -19.491 -0.000) 49.643 12.371 ( 9.677 -1.329 -0.000) 9.768 12.374 ( 13.417 -10.547 -0.000) 17.066 ======================= Grid point 148 (89/105) ======================= q-point: (-0.72 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.000 -5.107 -0.000) 5.107 1.969 ( 0.000 -6.082 -0.000) 6.082 2.029 ( 0.000 -6.555 -0.000) 6.555 2.140 ( 0.000 -10.716 -0.000) 10.716 2.228 ( 0.000 -1.518 -0.000) 1.518 2.324 ( 0.000 -1.213 -0.000) 1.213 2.466 ( 0.000 -6.423 -0.000) 6.423 2.522 ( -0.000 2.779 0.000) 2.779 2.526 ( 0.000 -0.638 -0.000) 0.638 2.630 ( -0.000 5.850 0.000) 5.850 2.696 ( 0.000 -7.288 -0.000) 7.288 2.721 ( -0.000 9.449 0.000) 9.449 2.788 ( -0.000 13.145 0.000) 13.145 2.897 ( -0.000 10.646 0.000) 10.646 3.737 ( 0.000 -4.649 -0.000) 4.649 3.851 ( -0.000 1.235 0.000) 1.235 3.852 ( 0.000 -16.843 -0.000) 16.843 4.083 ( 0.000 -8.226 -0.000) 8.226 4.556 ( 0.000 -7.712 -0.000) 7.712 4.762 ( 0.000 -5.274 -0.000) 5.274 4.939 ( 0.000 -1.189 -0.000) 1.189 4.991 ( 0.000 -2.158 -0.000) 2.158 5.204 ( 0.000 -4.489 -0.000) 4.489 5.311 ( 0.000 -3.081 -0.000) 3.081 5.451 ( -0.000 0.262 0.000) 0.262 5.648 ( -0.000 0.377 0.000) 0.377 5.772 ( 0.000 -9.826 -0.000) 9.826 6.553 ( 0.000 -14.835 -0.000) 14.835 7.118 ( 0.000 -0.045 -0.000) 0.045 7.248 ( -0.000 8.431 0.000) 8.431 7.727 ( 0.000 -2.941 -0.000) 2.941 8.213 ( -0.000 0.954 0.000) 0.954 8.355 ( -0.000 2.889 0.000) 2.889 8.665 ( 0.000 -1.875 -0.000) 1.875 8.975 ( 0.000 -2.727 -0.000) 2.727 9.723 ( 0.000 -11.487 -0.000) 11.487 10.500 ( 0.000 -8.679 -0.000) 8.679 11.060 ( 0.000 -19.065 -0.000) 19.065 11.331 ( -0.000 5.715 0.000) 5.715 12.993 ( -0.000 4.424 0.000) 4.424 12.994 ( 0.000 -3.372 -0.000) 3.372 13.195 ( 0.000 -4.422 -0.000) 4.422 ======================= Grid point 155 (90/105) ======================= q-point: (-0.40 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -8.423 -3.930 -0.000) 9.295 2.115 ( -17.070 -0.263 0.000) 17.072 2.147 ( -15.974 1.780 0.000) 16.073 2.197 ( -10.632 -4.177 -0.000) 11.423 2.535 ( -3.407 -2.438 -0.000) 4.190 2.688 ( -1.556 0.231 0.000) 1.573 2.789 ( -0.000 -9.273 -0.000) 9.273 2.881 ( 2.746 8.851 0.000) 9.267 3.044 ( 0.693 11.031 0.000) 11.053 3.078 ( -0.185 -4.225 -0.000) 4.229 3.174 ( 0.914 -1.546 -0.000) 1.796 3.486 ( 0.671 2.046 0.000) 2.153 3.579 ( 1.597 -19.482 -0.000) 19.547 3.733 ( -15.353 -8.072 -0.000) 17.346 3.768 ( -19.184 -8.600 -0.000) 21.024 3.811 ( 2.916 -15.876 -0.000) 16.142 4.158 ( 0.265 -1.013 -0.000) 1.047 4.169 ( -5.212 0.113 0.000) 5.213 4.331 ( -16.536 -25.191 -0.000) 30.134 4.466 ( -9.859 -0.727 -0.000) 9.886 4.475 ( 4.397 -3.509 -0.000) 5.625 4.561 ( -8.407 1.898 0.000) 8.619 4.747 ( 1.489 -8.525 -0.000) 8.654 4.975 ( -6.151 -12.889 -0.000) 14.282 5.499 ( -15.963 -7.006 -0.000) 17.433 5.854 ( -6.727 -8.534 -0.000) 10.867 6.295 ( -1.150 -1.207 -0.000) 1.667 6.535 ( 10.755 -7.573 -0.000) 13.153 6.610 ( 6.376 -6.763 -0.000) 9.295 7.442 ( -0.199 -9.207 -0.000) 9.209 7.882 ( -10.449 -10.367 -0.000) 14.719 8.054 ( 0.700 -13.205 -0.000) 13.224 8.109 ( 5.298 -1.187 -0.000) 5.429 8.160 ( 2.039 -18.158 -0.000) 18.272 8.419 ( -0.636 -3.164 -0.000) 3.227 8.462 ( 0.517 -17.401 -0.000) 17.409 8.590 ( 8.704 -5.973 -0.000) 10.556 9.274 ( -1.713 -13.643 -0.000) 13.750 9.472 ( 28.286 -8.967 -0.000) 29.673 9.838 ( 24.596 -10.447 -0.000) 26.723 11.950 ( 9.585 -6.084 -0.000) 11.353 12.142 ( 12.377 -0.220 -0.000) 12.379 ======================= Grid point 158 (91/105) ======================= q-point: (-0.63 -0.37 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 1.878 -14.221 -0.000) 14.344 1.667 ( -1.268 -14.157 -0.000) 14.213 1.948 ( -9.184 -12.489 0.000) 15.502 1.948 ( -9.134 -12.363 0.000) 15.371 2.283 ( -8.313 -2.747 -0.000) 8.755 2.396 ( -2.141 3.774 0.000) 4.339 2.423 ( -3.546 0.383 0.000) 3.566 2.527 ( -3.676 -0.961 -0.000) 3.799 2.579 ( -1.504 3.356 0.000) 3.677 2.582 ( -0.482 2.894 0.000) 2.934 2.887 ( -8.806 0.296 0.000) 8.811 3.012 ( -2.939 10.440 0.000) 10.845 3.226 ( -8.184 -2.867 -0.000) 8.672 3.228 ( -11.619 12.048 0.000) 16.738 3.420 ( -5.333 -7.588 -0.000) 9.275 3.529 ( -7.369 -19.818 -0.000) 21.143 3.727 ( -11.296 -13.519 -0.000) 17.617 4.198 ( 4.054 -16.447 -0.000) 16.939 4.306 ( -14.344 1.794 0.000) 14.456 4.713 ( -10.187 -12.031 -0.000) 15.764 4.804 ( 0.648 -9.082 -0.000) 9.105 4.821 ( 0.323 -11.473 -0.000) 11.477 5.054 ( 7.548 -7.963 -0.000) 10.972 5.255 ( -16.639 -12.121 -0.000) 20.586 5.344 ( 2.814 -6.923 -0.000) 7.473 5.686 ( -13.786 -13.702 -0.000) 19.437 5.721 ( -6.475 -9.749 -0.000) 11.703 6.234 ( -4.917 -14.090 -0.000) 14.923 7.204 ( -2.300 2.079 0.000) 3.101 7.330 ( -2.158 1.703 0.000) 2.749 7.756 ( -8.745 -4.030 -0.000) 9.629 8.153 ( 5.032 -0.652 -0.000) 5.074 8.478 ( -6.282 0.989 0.000) 6.360 8.642 ( -1.091 -2.766 -0.000) 2.974 8.831 ( 3.196 -7.575 -0.000) 8.222 9.307 ( -1.931 -27.272 -0.000) 27.341 10.058 ( 8.564 -23.339 -0.000) 24.860 10.483 ( 5.401 -29.816 -0.000) 30.301 11.247 ( 8.480 -5.051 -0.000) 9.871 12.805 ( 19.431 -10.672 -0.000) 22.169 12.839 ( 8.194 -2.949 -0.000) 8.709 13.027 ( 8.425 1.186 0.000) 8.508 ======================= Grid point 165 (92/105) ======================= q-point: (-0.31 -0.69 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 2.247 ( -7.356 -0.000 0.000) 7.356 2.347 ( -8.292 -0.000 0.000) 8.292 2.467 ( -13.997 -0.000 0.000) 13.997 2.482 ( -17.200 -0.000 0.000) 17.200 2.539 ( -0.857 -0.000 0.000) 0.857 2.632 ( 1.260 0.000 -0.000) 1.260 2.683 ( 2.479 0.000 -0.000) 2.479 2.859 ( 3.566 0.000 -0.000) 3.566 2.928 ( 5.707 0.000 -0.000) 5.707 3.112 ( 2.182 0.000 -0.000) 2.182 3.240 ( 4.668 0.000 -0.000) 4.668 3.244 ( 6.460 0.000 -0.000) 6.460 3.316 ( 4.791 0.000 -0.000) 4.791 3.466 ( 8.426 0.000 -0.000) 8.426 4.058 ( 6.966 0.000 -0.000) 6.966 4.069 ( -11.386 -0.000 0.000) 11.386 4.075 ( -14.867 -0.000 0.000) 14.867 4.142 ( -2.242 -0.000 0.000) 2.242 4.250 ( -1.553 -0.000 0.000) 1.553 4.614 ( 4.116 0.000 -0.000) 4.116 4.618 ( -4.530 -0.000 0.000) 4.530 4.645 ( -1.464 -0.000 0.000) 1.464 4.667 ( -21.718 -0.000 0.000) 21.718 4.953 ( -9.781 -0.000 0.000) 9.781 5.693 ( -9.398 -0.000 0.000) 9.398 5.828 ( -0.498 -0.000 0.000) 0.498 6.032 ( 20.260 0.000 -0.000) 20.260 6.301 ( 10.903 0.000 -0.000) 10.903 6.349 ( 0.344 0.000 -0.000) 0.344 7.340 ( 7.114 0.000 -0.000) 7.114 7.763 ( 4.345 0.000 -0.000) 4.345 7.856 ( 2.765 0.000 -0.000) 2.765 8.008 ( -4.500 -0.000 0.000) 4.500 8.072 ( -7.542 -0.000 0.000) 7.542 8.204 ( 2.460 0.000 -0.000) 2.460 8.249 ( 23.748 0.000 -0.000) 23.748 8.531 ( -5.777 -0.000 0.000) 5.777 8.873 ( 19.104 0.000 -0.000) 19.104 8.874 ( 2.476 0.000 -0.000) 2.476 9.915 ( -19.879 -0.000 0.000) 19.879 11.743 ( 3.550 0.000 -0.000) 3.550 11.833 ( 17.192 0.000 -0.000) 17.192 ======================= Grid point 168 (93/105) ======================= q-point: (-0.53 -0.47 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -10.403 -4.905 -0.000) 11.501 1.538 ( -10.858 -7.702 -0.000) 13.312 1.897 ( -10.281 -11.509 -0.000) 15.432 1.910 ( -12.141 -11.373 -0.000) 16.636 2.374 ( -6.927 -2.939 -0.000) 7.525 2.495 ( -5.648 -0.359 -0.000) 5.659 2.607 ( -7.590 3.114 0.000) 8.204 2.651 ( -2.037 6.881 0.000) 7.176 2.714 ( -10.946 0.683 0.000) 10.967 2.819 ( -10.981 3.844 0.000) 11.634 3.026 ( -11.738 -6.984 -0.000) 13.658 3.049 ( -13.254 -12.393 -0.000) 18.145 3.327 ( -10.720 -15.068 -0.000) 18.492 3.401 ( -6.820 5.040 0.000) 8.480 3.602 ( -17.140 -7.317 -0.000) 18.637 3.664 ( -13.471 -1.117 -0.000) 13.517 3.903 ( -5.305 -9.474 -0.000) 10.858 3.944 ( -16.003 3.545 0.000) 16.391 4.400 ( 1.253 -21.425 -0.000) 21.462 4.413 ( 1.019 -8.441 -0.000) 8.502 4.658 ( 7.787 -11.255 -0.000) 13.686 4.779 ( -14.021 -11.058 -0.000) 17.857 4.787 ( -9.968 -0.952 -0.000) 10.013 5.074 ( 5.031 -10.708 -0.000) 11.831 5.361 ( 5.438 -16.709 -0.000) 17.572 5.419 ( -26.350 -15.096 -0.000) 30.368 5.735 ( -20.251 -13.672 -0.000) 24.434 6.291 ( -20.518 -11.766 -0.000) 23.652 7.101 ( 11.611 1.128 0.000) 11.666 7.541 ( -16.352 -8.105 -0.000) 18.251 7.858 ( -9.851 -5.781 -0.000) 11.422 8.001 ( 8.312 -1.366 -0.000) 8.424 8.447 ( 2.438 -12.815 -0.000) 13.045 8.535 ( 3.326 -6.424 -0.000) 7.234 8.656 ( -1.942 -4.795 -0.000) 5.173 8.842 ( -6.240 -19.405 -0.000) 20.384 9.295 ( 14.365 -23.488 -0.000) 27.532 9.672 ( 6.710 -33.281 -0.000) 33.951 10.794 ( 19.694 -10.355 -0.000) 22.251 11.936 ( 39.293 -12.840 -0.000) 41.338 12.577 ( 10.481 -1.886 -0.000) 10.649 12.692 ( 17.036 -7.216 -0.000) 18.501 ======================= Grid point 179 (94/105) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -17.474 -1.834 -0.000) 17.570 1.813 ( -16.275 2.073 0.000) 16.406 1.921 ( -10.294 -5.898 -0.000) 11.864 1.977 ( -11.189 -5.305 -0.000) 12.383 2.463 ( -3.814 0.837 0.000) 3.905 2.625 ( -4.901 1.761 0.000) 5.208 2.733 ( -5.286 -6.973 -0.000) 8.751 2.896 ( -2.202 9.810 0.000) 10.054 3.007 ( -6.092 9.380 0.000) 11.184 3.027 ( -4.595 -1.622 -0.000) 4.872 3.130 ( -11.133 -4.330 -0.000) 11.946 3.218 ( -25.180 -8.888 -0.000) 26.702 3.314 ( -13.775 -9.747 -0.000) 16.875 3.499 ( -3.030 -2.303 -0.000) 3.806 3.626 ( -4.100 -15.441 -0.000) 15.977 3.827 ( -5.904 -6.069 -0.000) 8.467 3.929 ( -15.161 -22.724 -0.000) 27.317 4.071 ( -2.989 1.876 0.000) 3.528 4.217 ( 3.261 -5.039 -0.000) 6.002 4.257 ( -9.167 -3.786 -0.000) 9.918 4.374 ( -7.056 1.773 0.000) 7.276 4.674 ( 9.186 -6.439 -0.000) 11.218 4.787 ( 0.912 -8.593 -0.000) 8.641 4.897 ( -1.489 -3.989 -0.000) 4.258 5.158 ( -14.622 -8.407 -0.000) 16.867 5.623 ( -16.385 -8.722 -0.000) 18.562 6.019 ( -24.256 -5.783 -0.000) 24.936 6.474 ( -17.463 -8.441 -0.000) 19.396 6.823 ( 14.755 -1.852 -0.000) 14.871 7.550 ( -17.129 -17.069 -0.000) 24.182 7.621 ( 15.453 -6.568 -0.000) 16.791 8.010 ( -10.196 -2.581 -0.000) 10.518 8.125 ( 4.418 -10.226 -0.000) 11.140 8.223 ( 4.879 -13.554 -0.000) 14.406 8.470 ( 0.613 -11.037 -0.000) 11.054 8.647 ( 15.924 -7.061 -0.000) 17.419 8.768 ( 3.876 -2.684 -0.000) 4.715 9.012 ( -8.511 -21.478 -0.000) 23.102 10.073 ( 28.938 -7.815 -0.000) 29.974 10.764 ( 51.238 -7.273 -0.000) 51.752 12.191 ( 14.053 -6.417 -0.000) 15.448 12.367 ( 9.815 0.614 0.000) 9.835 ======================= Grid point 182 (95/105) ======================= q-point: (-0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 1.666 ( 0.000 -12.816 -0.000) 12.816 1.730 ( 0.000 -14.408 -0.000) 14.408 1.808 ( 0.000 -13.866 -0.000) 13.866 1.834 ( 0.000 -16.934 -0.000) 16.934 2.184 ( 0.000 -2.388 -0.000) 2.388 2.381 ( -0.000 6.649 0.000) 6.649 2.388 ( 0.000 -0.337 -0.000) 0.337 2.437 ( 0.000 -6.427 -0.000) 6.427 2.573 ( -0.000 0.196 0.000) 0.196 2.656 ( -0.000 1.558 0.000) 1.558 2.738 ( -0.000 2.119 0.000) 2.119 3.002 ( -0.000 13.944 0.000) 13.944 3.098 ( -0.000 13.784 0.000) 13.784 3.110 ( -0.000 9.415 0.000) 9.415 3.460 ( 0.000 -18.346 -0.000) 18.346 3.471 ( 0.000 -25.908 -0.000) 25.908 3.554 ( 0.000 -11.451 -0.000) 11.451 4.100 ( 0.000 -2.213 -0.000) 2.213 4.278 ( 0.000 -18.077 -0.000) 18.077 4.578 ( 0.000 -11.773 -0.000) 11.773 4.794 ( 0.000 -11.554 -0.000) 11.554 4.828 ( 0.000 -12.997 -0.000) 12.997 5.085 ( 0.000 -5.304 -0.000) 5.304 5.179 ( 0.000 -9.144 -0.000) 9.144 5.372 ( 0.000 -7.441 -0.000) 7.441 5.511 ( 0.000 -14.584 -0.000) 14.584 5.615 ( 0.000 -4.074 -0.000) 4.074 6.215 ( 0.000 -17.169 -0.000) 17.169 7.108 ( 0.000 -0.797 -0.000) 0.797 7.383 ( -0.000 4.266 0.000) 4.266 7.658 ( 0.000 -3.593 -0.000) 3.593 8.211 ( 0.000 -0.938 -0.000) 0.938 8.404 ( -0.000 1.821 0.000) 1.821 8.622 ( 0.000 -2.201 -0.000) 2.201 8.863 ( 0.000 -8.000 -0.000) 8.000 9.288 ( 0.000 -27.612 -0.000) 27.612 10.145 ( 0.000 -23.793 -0.000) 23.793 10.541 ( 0.000 -30.144 -0.000) 30.144 11.335 ( 0.000 -4.629 -0.000) 4.629 12.929 ( 0.000 -2.682 -0.000) 2.682 13.009 ( 0.000 -8.981 -0.000) 8.981 13.120 ( -0.000 3.566 0.000) 3.566 ======================= Grid point 189 (96/105) ======================= q-point: (-0.35 -0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -9.610 -0.000 0.000) 9.610 2.112 ( -18.542 -0.000 0.000) 18.542 2.150 ( -10.608 -0.000 0.000) 10.608 2.161 ( -15.463 -0.000 0.000) 15.463 2.531 ( -0.059 -0.000 0.000) 0.059 2.647 ( -0.542 -0.000 0.000) 0.542 2.720 ( 0.119 0.000 -0.000) 0.119 2.922 ( 2.115 0.000 -0.000) 2.115 3.038 ( 4.456 0.000 -0.000) 4.456 3.189 ( 5.119 0.000 -0.000) 5.119 3.277 ( -1.750 -0.000 0.000) 1.750 3.356 ( -2.098 -0.000 0.000) 2.098 3.378 ( 5.358 0.000 -0.000) 5.358 3.612 ( 6.409 0.000 -0.000) 6.409 3.675 ( -23.830 -0.000 0.000) 23.830 3.680 ( -21.830 -0.000 0.000) 21.830 4.017 ( -16.591 -0.000 0.000) 16.591 4.151 ( 0.778 0.000 -0.000) 0.778 4.192 ( -3.912 -0.000 0.000) 3.912 4.430 ( 4.045 0.000 -0.000) 4.045 4.466 ( -10.275 -0.000 0.000) 10.275 4.647 ( 1.523 0.000 -0.000) 1.523 4.699 ( -14.283 -0.000 0.000) 14.283 4.718 ( 5.986 0.000 -0.000) 5.986 5.423 ( -16.361 -0.000 0.000) 16.361 5.762 ( -6.722 -0.000 0.000) 6.722 6.292 ( -7.496 -0.000 0.000) 7.496 6.436 ( 18.958 0.000 -0.000) 18.958 6.537 ( 6.395 0.000 -0.000) 6.395 7.345 ( -0.965 -0.000 0.000) 0.965 7.771 ( -18.764 -0.000 0.000) 18.764 7.871 ( 6.008 0.000 -0.000) 6.008 7.933 ( 4.608 0.000 -0.000) 4.608 8.098 ( 4.435 0.000 -0.000) 4.435 8.269 ( 3.811 0.000 -0.000) 3.811 8.393 ( -2.121 -0.000 0.000) 2.121 8.529 ( 8.855 0.000 -0.000) 8.855 9.129 ( -5.451 -0.000 0.000) 5.451 9.387 ( 28.688 0.000 -0.000) 28.688 9.746 ( 27.120 0.000 -0.000) 27.120 11.889 ( 9.596 0.000 -0.000) 9.596 12.143 ( 13.140 0.000 -0.000) 13.140 ======================= Grid point 192 (97/105) ======================= q-point: (-0.57 -0.43 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -3.768 -12.536 -0.000) 13.090 1.389 ( -1.972 -11.069 -0.000) 11.243 1.652 ( -12.396 -14.091 -0.000) 18.768 1.672 ( -11.343 -13.831 -0.000) 17.887 2.221 ( -7.399 -2.615 -0.000) 7.847 2.376 ( -5.366 -4.028 -0.000) 6.710 2.467 ( -5.506 0.637 0.000) 5.543 2.509 ( -5.518 -9.262 -0.000) 10.781 2.618 ( -3.049 7.490 0.000) 8.087 2.646 ( -4.275 0.115 0.000) 4.276 2.743 ( -10.381 -14.401 -0.000) 17.752 2.873 ( -4.807 -17.348 -0.000) 18.001 3.200 ( -5.184 -5.637 -0.000) 7.658 3.249 ( -6.182 8.337 0.000) 10.378 3.365 ( -5.891 -5.553 -0.000) 8.095 3.436 ( -7.100 0.610 0.000) 7.126 3.631 ( -14.408 6.054 0.000) 15.628 3.857 ( 0.876 -11.664 -0.000) 11.697 4.208 ( -26.246 -12.157 -0.000) 28.925 4.405 ( -3.619 -16.936 -0.000) 17.318 4.523 ( -7.279 -15.127 -0.000) 16.787 4.559 ( -1.966 -12.647 -0.000) 12.799 4.840 ( 7.734 -11.758 -0.000) 14.074 5.060 ( -6.501 -5.220 -0.000) 8.337 5.151 ( 2.241 -10.403 -0.000) 10.642 5.379 ( -14.625 -14.880 -0.000) 20.864 5.466 ( 2.551 -13.767 -0.000) 14.002 5.941 ( -11.017 -14.133 -0.000) 17.919 7.207 ( -8.800 -1.690 -0.000) 8.961 7.344 ( 5.015 -0.839 -0.000) 5.085 7.669 ( -7.551 -4.230 -0.000) 8.655 8.141 ( 4.733 0.064 -0.000) 4.733 8.453 ( -1.268 -5.119 -0.000) 5.274 8.574 ( 0.664 -3.895 -0.000) 3.951 8.639 ( -0.196 -9.437 -0.000) 9.439 8.740 ( -3.191 -22.540 -0.000) 22.764 9.520 ( 7.259 -25.618 -0.000) 26.627 9.796 ( 4.579 -34.362 -0.000) 34.665 11.094 ( 9.473 -8.324 -0.000) 12.610 12.575 ( 21.846 -9.915 -0.000) 23.991 12.783 ( 8.635 -2.303 -0.000) 8.937 13.029 ( 14.088 -1.580 -0.000) 14.176 ======================= Grid point 203 (98/105) ======================= q-point: (-0.48 -0.52 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -15.179 -4.403 -0.000) 15.805 1.487 ( -15.202 0.868 0.000) 15.227 1.689 ( -12.481 -7.659 -0.000) 14.644 1.727 ( -13.673 -5.740 -0.000) 14.829 2.356 ( -7.147 1.408 0.000) 7.284 2.476 ( -9.666 -1.550 -0.000) 9.789 2.602 ( -22.866 -10.159 -0.000) 25.021 2.605 ( -9.835 -4.958 -0.000) 11.014 2.667 ( -22.320 -16.742 -0.000) 27.901 2.809 ( -8.441 5.981 0.000) 10.345 2.899 ( -9.711 2.842 0.000) 10.118 2.925 ( -4.814 5.315 0.000) 7.170 3.224 ( -1.473 -1.256 -0.000) 1.936 3.405 ( -7.983 -4.544 -0.000) 9.186 3.413 ( -13.439 -15.835 -0.000) 20.769 3.629 ( -10.529 8.625 0.000) 13.611 3.782 ( -2.226 -12.265 -0.000) 12.465 3.983 ( -12.512 -2.496 -0.000) 12.759 4.071 ( 2.252 -2.636 -0.000) 3.467 4.271 ( 0.890 -4.029 -0.000) 4.126 4.416 ( 6.709 -9.960 -0.000) 12.008 4.574 ( -15.821 -7.663 -0.000) 17.580 4.802 ( -19.632 2.684 0.000) 19.815 4.877 ( 6.644 -7.122 -0.000) 9.740 5.070 ( 4.451 -10.606 -0.000) 11.502 5.134 ( -22.693 -11.603 -0.000) 25.488 5.480 ( -22.111 -9.748 -0.000) 24.165 6.044 ( -22.030 -10.550 -0.000) 24.426 7.102 ( 11.843 -0.837 -0.000) 11.873 7.275 ( -9.551 -14.840 -0.000) 17.648 7.742 ( -7.812 -4.838 -0.000) 9.189 8.000 ( 11.685 1.868 0.000) 11.833 8.210 ( 3.601 -8.002 -0.000) 8.775 8.339 ( 6.376 -11.753 -0.000) 13.371 8.477 ( -0.218 -5.928 -0.000) 5.932 8.658 ( -7.825 -5.663 -0.000) 9.659 8.936 ( 11.228 -9.834 -0.000) 14.926 9.063 ( 5.741 -21.522 -0.000) 22.274 10.607 ( 22.035 -6.724 -0.000) 23.038 11.743 ( 41.871 -5.714 -0.000) 42.259 12.536 ( 19.712 -6.767 -0.000) 20.841 12.559 ( 9.225 0.005 -0.000) 9.225 ======================= Grid point 214 (99/105) ======================= q-point: (-0.38 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 1.730 ( -18.555 -0.000 0.000) 18.555 1.839 ( -15.893 -0.000 0.000) 15.893 1.857 ( -11.159 -0.000 0.000) 11.159 1.922 ( -11.532 -0.000 0.000) 11.532 2.533 ( 0.189 0.000 -0.000) 0.189 2.583 ( -6.135 -0.000 0.000) 6.135 2.658 ( -6.442 -0.000 0.000) 6.442 2.945 ( 0.167 0.000 -0.000) 0.167 3.034 ( -27.634 -0.000 0.000) 27.634 3.088 ( -30.552 -0.000 0.000) 30.552 3.094 ( 0.788 0.000 -0.000) 0.788 3.170 ( -7.933 -0.000 0.000) 7.933 3.264 ( -1.759 -0.000 0.000) 1.759 3.407 ( -5.569 -0.000 0.000) 5.569 3.454 ( -1.166 -0.000 0.000) 1.166 3.640 ( -13.251 -0.000 0.000) 13.251 3.740 ( 5.965 0.000 -0.000) 5.965 4.115 ( -2.819 -0.000 0.000) 2.819 4.169 ( -5.665 -0.000 0.000) 5.665 4.210 ( -7.671 -0.000 0.000) 7.671 4.416 ( -11.488 -0.000 0.000) 11.488 4.610 ( 10.075 0.000 -0.000) 10.075 4.683 ( -0.042 -0.000 0.000) 0.042 4.849 ( 6.389 0.000 -0.000) 6.389 5.066 ( -15.861 -0.000 0.000) 15.861 5.528 ( -17.018 -0.000 0.000) 17.018 5.956 ( -26.943 -0.000 0.000) 26.943 6.378 ( -19.055 -0.000 0.000) 19.055 6.799 ( 16.135 0.000 -0.000) 16.135 7.344 ( -18.895 -0.000 0.000) 18.895 7.548 ( 17.542 0.000 -0.000) 17.542 7.996 ( -8.806 -0.000 0.000) 8.806 8.001 ( 6.474 0.000 -0.000) 6.474 8.038 ( 5.471 0.000 -0.000) 5.471 8.356 ( 4.564 0.000 -0.000) 4.564 8.587 ( 14.658 0.000 -0.000) 14.658 8.725 ( 9.197 0.000 -0.000) 9.197 8.794 ( -16.178 -0.000 0.000) 16.178 9.992 ( 29.131 0.000 -0.000) 29.131 10.695 ( 52.011 0.000 -0.000) 52.011 12.122 ( 13.363 0.000 -0.000) 13.363 12.377 ( 9.930 0.000 -0.000) 9.930 ======================= Grid point 217 (100/105) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 -13.952 -0.000) 13.952 1.432 ( 0.000 -13.255 -0.000) 13.255 1.474 ( 0.000 -17.099 -0.000) 17.099 1.486 ( 0.000 -16.097 -0.000) 16.097 2.131 ( 0.000 -2.734 -0.000) 2.734 2.315 ( 0.000 -5.028 -0.000) 5.028 2.424 ( -0.000 2.119 0.000) 2.119 2.464 ( 0.000 -11.207 -0.000) 11.207 2.531 ( 0.000 -8.256 -0.000) 8.256 2.616 ( -0.000 0.240 0.000) 0.240 2.686 ( -0.000 0.770 0.000) 0.770 2.829 ( 0.000 -27.542 -0.000) 27.542 3.116 ( 0.000 -7.238 -0.000) 7.238 3.278 ( -0.000 6.285 0.000) 6.285 3.306 ( -0.000 5.834 0.000) 5.834 3.343 ( 0.000 -6.727 -0.000) 6.727 3.379 ( -0.000 2.897 0.000) 2.897 3.866 ( 0.000 -16.260 -0.000) 16.260 3.891 ( 0.000 -14.447 -0.000) 14.447 4.307 ( 0.000 -13.128 -0.000) 13.128 4.484 ( 0.000 -18.466 -0.000) 18.466 4.559 ( 0.000 -10.066 -0.000) 10.066 4.959 ( 0.000 -11.062 -0.000) 11.062 5.012 ( 0.000 -1.624 -0.000) 1.624 5.169 ( 0.000 -10.759 -0.000) 10.759 5.188 ( 0.000 -15.526 -0.000) 15.526 5.469 ( 0.000 -9.724 -0.000) 9.724 5.852 ( 0.000 -17.249 -0.000) 17.249 7.088 ( 0.000 -1.086 -0.000) 1.086 7.421 ( 0.000 -0.592 -0.000) 0.592 7.584 ( 0.000 -3.312 -0.000) 3.312 8.190 ( 0.000 -0.549 -0.000) 0.549 8.432 ( -0.000 0.925 0.000) 0.925 8.577 ( 0.000 -1.975 -0.000) 1.975 8.636 ( 0.000 -15.826 -0.000) 15.826 8.711 ( 0.000 -21.670 -0.000) 21.670 9.593 ( 0.000 -26.699 -0.000) 26.699 9.845 ( 0.000 -35.056 -0.000) 35.056 11.189 ( 0.000 -8.025 -0.000) 8.025 12.802 ( 0.000 -9.089 -0.000) 9.089 12.881 ( 0.000 -1.954 -0.000) 1.954 13.189 ( -0.000 1.969 0.000) 1.969 ======================= Grid point 228 (101/105) ======================= q-point: (-0.52 -0.48 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -8.457 -8.359 -0.000) 11.891 1.226 ( -8.754 -4.046 -0.000) 9.644 1.399 ( -17.556 -9.274 -0.000) 19.855 1.412 ( -13.835 -10.320 -0.000) 17.260 2.167 ( -13.142 -11.508 -0.000) 17.468 2.193 ( -7.340 -4.908 -0.000) 8.830 2.226 ( -12.490 -18.426 -0.000) 22.260 2.329 ( -9.306 -5.237 -0.000) 10.678 2.496 ( -6.307 -0.298 -0.000) 6.314 2.670 ( -3.468 0.618 0.000) 3.522 2.679 ( -12.200 0.518 0.000) 12.211 2.853 ( -2.363 8.811 0.000) 9.122 3.098 ( -14.622 -10.104 -0.000) 17.773 3.183 ( -10.905 -10.174 -0.000) 14.914 3.242 ( 1.052 -8.753 -0.000) 8.816 3.429 ( -9.146 4.291 0.000) 10.103 3.769 ( 0.356 -4.229 -0.000) 4.244 3.780 ( -21.483 3.817 0.000) 21.820 3.893 ( -27.535 -10.258 -0.000) 29.384 4.114 ( 0.713 -6.540 -0.000) 6.579 4.269 ( -11.636 -8.327 -0.000) 14.309 4.335 ( 1.380 -8.706 -0.000) 8.814 4.603 ( 7.967 -9.847 -0.000) 12.667 4.973 ( 2.548 -5.428 -0.000) 5.997 5.018 ( -1.493 -0.279 -0.000) 1.519 5.110 ( -13.614 -9.459 -0.000) 16.578 5.189 ( 5.085 -11.614 -0.000) 12.679 5.652 ( -14.144 -12.554 -0.000) 18.912 7.123 ( -5.031 -5.875 -0.000) 7.735 7.303 ( 6.808 -2.397 -0.000) 7.218 7.589 ( -5.755 -3.093 -0.000) 6.534 8.174 ( 4.488 3.143 0.000) 5.479 8.271 ( 2.625 -6.423 -0.000) 6.939 8.466 ( -0.520 -5.405 -0.000) 5.430 8.475 ( 6.044 -5.388 -0.000) 8.097 8.523 ( -5.647 -2.729 -0.000) 6.272 9.092 ( 4.111 -13.766 -0.000) 14.366 9.138 ( 1.618 -26.620 -0.000) 26.669 10.942 ( 10.329 -5.550 -0.000) 11.726 12.414 ( 22.643 -5.538 -0.000) 23.310 12.746 ( 8.405 -1.175 -0.000) 8.487 12.965 ( 19.672 -3.911 -0.000) 20.057 ======================= Grid point 239 (102/105) ======================= q-point: (-0.42 -0.58 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -16.936 -0.000 0.000) 16.936 1.513 ( -15.685 -0.000 0.000) 15.685 1.604 ( -14.008 -0.000 0.000) 14.008 1.669 ( -14.012 -0.000 0.000) 14.012 2.397 ( -12.873 -0.000 0.000) 12.873 2.400 ( -23.713 -0.000 0.000) 23.713 2.450 ( -27.796 -0.000 0.000) 27.796 2.515 ( -14.420 -0.000 0.000) 14.420 2.533 ( -0.398 -0.000 0.000) 0.398 2.901 ( -7.458 -0.000 0.000) 7.458 2.990 ( -8.683 -0.000 0.000) 8.683 3.059 ( -9.322 -0.000 0.000) 9.322 3.069 ( -3.470 -0.000 0.000) 3.470 3.275 ( -7.779 -0.000 0.000) 7.779 3.326 ( -11.709 -0.000 0.000) 11.709 3.601 ( 4.269 0.000 -0.000) 4.269 3.818 ( -18.776 -0.000 0.000) 18.776 3.850 ( 4.560 0.000 -0.000) 4.560 4.088 ( -0.112 -0.000 0.000) 0.112 4.232 ( -1.458 -0.000 0.000) 1.458 4.311 ( 2.658 0.000 -0.000) 2.658 4.491 ( -16.561 -0.000 0.000) 16.561 4.800 ( 8.016 0.000 -0.000) 8.016 4.881 ( -49.751 -0.000 0.000) 49.751 4.952 ( 3.336 0.000 -0.000) 3.336 4.967 ( 4.940 0.000 -0.000) 4.940 5.370 ( -22.585 -0.000 0.000) 22.585 5.920 ( -23.244 -0.000 0.000) 23.244 7.087 ( 11.744 0.000 -0.000) 11.744 7.090 ( -6.219 -0.000 0.000) 6.219 7.685 ( -6.415 -0.000 0.000) 6.415 8.072 ( 17.108 0.000 -0.000) 17.108 8.127 ( 5.514 0.000 -0.000) 5.514 8.147 ( 4.910 0.000 -0.000) 4.910 8.448 ( 4.213 0.000 -0.000) 4.213 8.544 ( -8.304 -0.000 0.000) 8.304 8.845 ( 9.322 0.000 -0.000) 9.322 8.856 ( 2.209 0.000 -0.000) 2.209 10.534 ( 22.602 0.000 -0.000) 22.602 11.685 ( 42.030 0.000 -0.000) 42.030 12.456 ( 19.757 0.000 -0.000) 19.757 12.562 ( 8.510 0.000 -0.000) 8.510 ======================= Grid point 254 (103/105) ======================= q-point: (-0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 1.119 ( 0.000 -9.897 -0.000) 9.897 1.131 ( 0.000 -15.209 -0.000) 15.209 1.180 ( 0.000 -11.957 -0.000) 11.957 1.198 ( 0.000 -9.027 -0.000) 9.027 2.051 ( 0.000 -6.599 -0.000) 6.599 2.093 ( 0.000 -20.108 -0.000) 20.108 2.194 ( 0.000 -9.676 -0.000) 9.676 2.214 ( 0.000 -19.351 -0.000) 19.351 2.233 ( 0.000 -2.713 -0.000) 2.713 2.548 ( 0.000 -0.736 -0.000) 0.736 2.684 ( 0.000 -0.681 -0.000) 0.681 2.799 ( 0.000 -2.280 -0.000) 2.280 2.899 ( 0.000 -5.699 -0.000) 5.699 3.062 ( 0.000 -22.894 -0.000) 22.894 3.260 ( 0.000 -1.316 -0.000) 1.316 3.271 ( 0.000 -6.959 -0.000) 6.959 3.389 ( -0.000 3.453 0.000) 3.453 3.777 ( 0.000 -2.713 -0.000) 2.713 3.809 ( -0.000 8.494 0.000) 8.494 4.074 ( 0.000 -8.307 -0.000) 8.307 4.177 ( 0.000 -7.532 -0.000) 7.532 4.359 ( 0.000 -9.069 -0.000) 9.069 4.756 ( 0.000 -7.531 -0.000) 7.531 4.857 ( 0.000 -12.190 -0.000) 12.190 4.993 ( 0.000 -4.566 -0.000) 4.566 5.048 ( -0.000 1.490 0.000) 1.490 5.238 ( 0.000 -11.023 -0.000) 11.023 5.513 ( 0.000 -14.438 -0.000) 14.438 7.067 ( 0.000 -0.766 -0.000) 0.766 7.375 ( 0.000 -2.988 -0.000) 2.988 7.527 ( 0.000 -1.992 -0.000) 1.992 8.212 ( -0.000 2.813 0.000) 2.813 8.312 ( 0.000 -7.625 -0.000) 7.625 8.445 ( -0.000 0.347 0.000) 0.347 8.461 ( 0.000 -5.887 -0.000) 5.887 8.544 ( 0.000 -1.172 -0.000) 1.172 9.127 ( 0.000 -16.215 -0.000) 16.215 9.150 ( 0.000 -30.116 -0.000) 30.116 11.043 ( 0.000 -5.274 -0.000) 5.274 12.650 ( 0.000 -5.477 -0.000) 5.477 12.847 ( 0.000 -1.268 -0.000) 1.268 13.198 ( 0.000 -0.785 -0.000) 0.785 ======================= Grid point 265 (104/105) ======================= q-point: (-0.46 -0.54 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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| 1.061 ( -11.550 -0.000 0.000) 11.550 1.219 ( -11.896 -0.000 0.000) 11.896 1.269 ( -17.481 -0.000 0.000) 17.481 1.296 ( -21.509 -0.000 0.000) 21.509 1.982 ( -12.909 -0.000 0.000) 12.909 1.986 ( -12.562 -0.000 0.000) 12.562 2.186 ( -9.267 -0.000 0.000) 9.267 2.295 ( -8.251 -0.000 0.000) 8.251 2.514 ( -1.246 -0.000 0.000) 1.246 2.672 ( -9.857 -0.000 0.000) 9.857 2.848 ( -4.689 -0.000 0.000) 4.689 2.882 ( -39.851 -0.000 0.000) 39.851 2.888 ( -14.521 -0.000 0.000) 14.521 2.997 ( -0.489 -0.000 0.000) 0.489 3.169 ( -0.676 -0.000 0.000) 0.676 3.459 ( -16.340 -0.000 0.000) 16.340 3.687 ( 3.288 0.000 -0.000) 3.288 3.724 ( -39.865 -0.000 0.000) 39.865 3.922 ( 2.430 0.000 -0.000) 2.430 4.077 ( -2.981 -0.000 0.000) 2.981 4.188 ( -9.716 -0.000 0.000) 9.716 4.223 ( 0.410 0.000 -0.000) 0.410 4.488 ( 7.827 0.000 -0.000) 7.827 4.928 ( 4.338 0.000 -0.000) 4.338 4.983 ( -16.352 -0.000 0.000) 16.352 5.045 ( 2.597 0.000 -0.000) 2.597 5.051 ( 4.561 0.000 -0.000) 4.561 5.499 ( -15.962 -0.000 0.000) 15.962 7.043 ( 0.471 0.000 -0.000) 0.471 7.273 ( 6.171 0.000 -0.000) 6.171 7.554 ( -4.759 -0.000 0.000) 4.759 8.218 ( 3.188 0.000 -0.000) 3.188 8.230 ( 2.909 0.000 -0.000) 2.909 8.396 ( 12.325 0.000 -0.000) 12.325 8.443 ( -1.643 -0.000 0.000) 1.643 8.520 ( 2.557 0.000 -0.000) 2.557 8.796 ( -7.282 -0.000 0.000) 7.282 8.954 ( 1.587 0.000 -0.000) 1.587 10.881 ( 10.783 0.000 -0.000) 10.783 12.351 ( 22.344 0.000 -0.000) 22.344 12.735 ( 7.913 0.000 -0.000) 7.913 12.913 ( 22.120 0.000 -0.000) 22.120 ======================= Grid point 292 (105/105) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 0.000 -0.000) 0.000 1.008 ( -0.000 0.000 -0.000) 0.000 1.044 ( -0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.868 ( -0.000 -0.000 -0.000) 0.000 1.932 ( -0.000 0.000 -0.000) 0.000 1.993 ( 0.000 -0.000 0.000) 0.000 2.120 ( -0.000 0.000 -0.000) 0.000 2.204 ( -0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 -0.000) 0.000 2.674 ( -0.000 0.000 -0.000) 0.000 2.801 ( 0.000 0.000 -0.000) 0.000 2.994 ( 0.000 -0.000 -0.000) 0.000 3.184 ( -0.000 -0.000 0.000) 0.000 3.250 ( -0.000 -0.000 -0.000) 0.000 3.426 ( -0.000 -0.000 -0.000) 0.000 3.722 ( 0.000 0.000 -0.000) 0.000 3.947 ( 0.000 -0.000 -0.000) 0.000 3.984 ( -0.000 0.000 -0.000) 0.000 4.130 ( 0.000 0.000 -0.000) 0.000 4.232 ( 0.000 -0.000 0.000) 0.000 4.673 ( -0.000 0.000 -0.000) 0.000 4.712 ( 0.000 -0.000 -0.000) 0.000 4.973 ( 0.000 0.000 -0.000) 0.000 5.072 ( 0.000 0.000 -0.000) 0.000 5.097 ( 0.000 0.000 -0.000) 0.000 5.331 ( -0.000 -0.000 -0.000) 0.000 7.059 ( -0.000 0.000 -0.000) 0.000 7.336 ( 0.000 0.000 -0.000) 0.000 7.506 ( 0.000 0.000 -0.000) 0.000 8.252 ( 0.000 0.000 -0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.448 ( -0.000 -0.000 -0.000) 0.000 8.531 ( 0.000 -0.000 0.000) 0.000 8.547 ( 0.000 -0.000 -0.000) 0.000 8.674 ( 0.000 0.000 -0.000) 0.000 8.955 ( 0.000 -0.000 0.000) 0.000 10.986 ( -0.000 0.000 -0.000) 0.000 12.586 ( 0.000 -0.000 -0.000) 0.000 12.833 ( -0.000 -0.000 -0.000) 0.000 13.182 ( -0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/19656 10.0 510.918 677.487 296.521 0.000 -0.000 -0.000 3/19656 20.0 69.709 64.730 34.068 0.000 -0.000 -0.000 3/19656 30.0 26.196 21.502 12.149 0.000 -0.000 -0.000 3/19656 40.0 14.924 11.577 6.622 0.000 -0.000 -0.000 3/19656 50.0 10.298 7.802 4.426 0.000 -0.000 -0.000 3/19656 60.0 7.866 5.914 3.302 0.000 -0.000 -0.000 3/19656 70.0 6.388 4.803 2.633 0.000 -0.000 -0.000 3/19656 80.0 5.401 4.076 2.194 0.000 -0.000 -0.000 3/19656 90.0 4.698 3.564 1.885 0.000 -0.000 -0.000 3/19656 100.0 4.172 3.184 1.656 0.000 -0.000 -0.000 3/19656 110.0 3.762 2.888 1.480 0.000 -0.000 -0.000 3/19656 120.0 3.434 2.651 1.341 0.000 -0.000 -0.000 3/19656 130.0 3.165 2.455 1.227 0.000 -0.000 -0.000 3/19656 140.0 2.939 2.289 1.132 0.000 -0.000 -0.000 3/19656 150.0 2.746 2.147 1.052 0.000 -0.000 -0.000 3/19656 160.0 2.578 2.022 0.984 0.000 -0.000 -0.000 3/19656 170.0 2.432 1.913 0.924 0.000 -0.000 -0.000 3/19656 180.0 2.302 1.815 0.872 0.000 -0.000 -0.000 3/19656 190.0 2.186 1.727 0.825 0.000 -0.000 -0.000 3/19656 200.0 2.082 1.647 0.783 0.000 -0.000 -0.000 3/19656 210.0 1.988 1.575 0.746 0.000 -0.000 -0.000 3/19656 220.0 1.902 1.509 0.712 0.000 -0.000 -0.000 3/19656 230.0 1.823 1.448 0.681 0.000 -0.000 -0.000 3/19656 240.0 1.751 1.392 0.653 0.000 -0.000 -0.000 3/19656 250.0 1.684 1.340 0.627 0.000 -0.000 -0.000 3/19656 260.0 1.622 1.292 0.603 0.000 -0.000 -0.000 3/19656 270.0 1.565 1.247 0.581 0.000 -0.000 -0.000 3/19656 280.0 1.511 1.205 0.560 0.000 -0.000 -0.000 3/19656 290.0 1.462 1.166 0.541 0.000 -0.000 -0.000 3/19656 300.0 1.415 1.129 0.523 0.000 -0.000 -0.000 3/19656 310.0 1.371 1.095 0.507 0.000 -0.000 -0.000 3/19656 320.0 1.330 1.062 0.491 0.000 -0.000 -0.000 3/19656 330.0 1.291 1.032 0.476 0.000 -0.000 -0.000 3/19656 340.0 1.254 1.003 0.462 0.000 -0.000 -0.000 3/19656 350.0 1.220 0.975 0.449 0.000 -0.000 -0.000 3/19656 360.0 1.187 0.949 0.437 0.000 -0.000 -0.000 3/19656 370.0 1.156 0.925 0.425 0.000 -0.000 -0.000 3/19656 380.0 1.127 0.901 0.414 0.000 -0.000 -0.000 3/19656 390.0 1.099 0.879 0.404 0.000 -0.000 -0.000 3/19656 400.0 1.072 0.858 0.394 0.000 -0.000 -0.000 3/19656 410.0 1.047 0.838 0.384 0.000 -0.000 -0.000 3/19656 420.0 1.022 0.819 0.375 0.000 -0.000 -0.000 3/19656 430.0 0.999 0.800 0.367 0.000 -0.000 -0.000 3/19656 440.0 0.977 0.782 0.358 0.000 -0.000 -0.000 3/19656 450.0 0.956 0.766 0.350 0.000 -0.000 -0.000 3/19656 460.0 0.936 0.749 0.343 0.000 -0.000 -0.000 3/19656 470.0 0.916 0.734 0.336 0.000 -0.000 -0.000 3/19656 480.0 0.897 0.719 0.329 0.000 -0.000 -0.000 3/19656 490.0 0.879 0.705 0.322 0.000 -0.000 -0.000 3/19656 500.0 0.862 0.691 0.316 0.000 -0.000 -0.000 3/19656 510.0 0.846 0.678 0.310 0.000 -0.000 -0.000 3/19656 520.0 0.830 0.665 0.304 0.000 -0.000 -0.000 3/19656 530.0 0.814 0.653 0.298 0.000 -0.000 -0.000 3/19656 540.0 0.800 0.641 0.292 0.000 -0.000 -0.000 3/19656 550.0 0.785 0.630 0.287 0.000 -0.000 -0.000 3/19656 560.0 0.771 0.619 0.282 0.000 -0.000 -0.000 3/19656 570.0 0.758 0.608 0.277 0.000 -0.000 -0.000 3/19656 580.0 0.745 0.598 0.272 0.000 -0.000 -0.000 3/19656 590.0 0.733 0.588 0.268 0.000 -0.000 -0.000 3/19656 600.0 0.721 0.578 0.263 0.000 -0.000 -0.000 3/19656 610.0 0.709 0.569 0.259 0.000 -0.000 -0.000 3/19656 620.0 0.698 0.560 0.255 0.000 -0.000 -0.000 3/19656 630.0 0.687 0.551 0.251 0.000 -0.000 -0.000 3/19656 640.0 0.676 0.542 0.247 0.000 -0.000 -0.000 3/19656 650.0 0.666 0.534 0.243 0.000 -0.000 -0.000 3/19656 660.0 0.656 0.526 0.240 0.000 -0.000 -0.000 3/19656 670.0 0.647 0.519 0.236 0.000 -0.000 -0.000 3/19656 680.0 0.637 0.511 0.233 0.000 -0.000 -0.000 3/19656 690.0 0.628 0.504 0.229 0.000 -0.000 -0.000 3/19656 700.0 0.619 0.497 0.226 0.000 -0.000 -0.000 3/19656 710.0 0.611 0.490 0.223 0.000 -0.000 -0.000 3/19656 720.0 0.602 0.483 0.220 0.000 -0.000 -0.000 3/19656 730.0 0.594 0.476 0.217 0.000 -0.000 -0.000 3/19656 740.0 0.586 0.470 0.214 0.000 -0.000 -0.000 3/19656 750.0 0.578 0.464 0.211 0.000 -0.000 -0.000 3/19656 760.0 0.571 0.458 0.208 0.000 -0.000 -0.000 3/19656 770.0 0.563 0.452 0.206 0.000 -0.000 -0.000 3/19656 780.0 0.556 0.446 0.203 0.000 -0.000 -0.000 3/19656 790.0 0.549 0.441 0.200 0.000 -0.000 -0.000 3/19656 800.0 0.542 0.435 0.198 0.000 -0.000 -0.000 3/19656 810.0 0.536 0.430 0.195 0.000 -0.000 -0.000 3/19656 820.0 0.529 0.425 0.193 0.000 -0.000 -0.000 3/19656 830.0 0.523 0.420 0.191 0.000 -0.000 -0.000 3/19656 840.0 0.517 0.415 0.188 0.000 -0.000 -0.000 3/19656 850.0 0.511 0.410 0.186 0.000 -0.000 -0.000 3/19656 860.0 0.505 0.405 0.184 0.000 -0.000 -0.000 3/19656 870.0 0.499 0.401 0.182 0.000 -0.000 -0.000 3/19656 880.0 0.494 0.396 0.180 0.000 -0.000 -0.000 3/19656 890.0 0.488 0.392 0.178 0.000 -0.000 -0.000 3/19656 900.0 0.483 0.387 0.176 0.000 -0.000 -0.000 3/19656 910.0 0.477 0.383 0.174 0.000 -0.000 -0.000 3/19656 920.0 0.472 0.379 0.172 0.000 -0.000 -0.000 3/19656 930.0 0.467 0.375 0.170 0.000 -0.000 -0.000 3/19656 940.0 0.462 0.371 0.168 0.000 -0.000 -0.000 3/19656 950.0 0.457 0.367 0.167 0.000 -0.000 -0.000 3/19656 960.0 0.453 0.363 0.165 0.000 -0.000 -0.000 3/19656 970.0 0.448 0.360 0.163 0.000 -0.000 -0.000 3/19656 980.0 0.444 0.356 0.162 0.000 -0.000 -0.000 3/19656 990.0 0.439 0.352 0.160 0.000 -0.000 -0.000 3/19656 1000.0 0.435 0.349 0.158 0.000 -0.000 -0.000 3/19656 Thermal conductivity related properties were written into "kappa-m11468.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:28:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|