----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:39:34]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.746284798189842 0.000000000000000 0.000000000000000 b -2.873142399094921 4.976428612612739 0.000000000000000 c 0.000000000000000 0.000000000000000 4.680503289999999 Atomic positions (fractional): *1 F 0.83811721353034 0.67623442706067 0.77633466363415 18.998 2 F 0.32376557293933 0.16188278646966 0.77633466363415 18.998 3 F 0.83811721353034 0.16188278646966 0.77633466363415 18.998 4 F 0.16188278646966 0.32376557293933 0.22366533636585 18.998 5 F 0.67623442706067 0.83811721353034 0.22366533636585 18.998 6 F 0.16188278646966 0.83811721353034 0.22366533636585 18.998 *7 K 0.33333333333333 0.66666666666667 0.71954974462014 39.098 8 K 0.66666666666667 0.33333333333333 0.28045025537986 39.098 *9 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.746284798189842 0.000000000000000 0.000000000000000 b -2.873142399094921 4.976428612612739 0.000000000000000 c 0.000000000000000 0.000000000000000 4.680503289999999 Atomic positions (fractional): *1 F 0.83811721353034 0.67623442706067 0.77633466363415 18.998 > 1 2 F 0.32376557293933 0.16188278646966 0.77633466363415 18.998 > 2 3 F 0.83811721353034 0.16188278646966 0.77633466363415 18.998 > 3 4 F 0.16188278646966 0.32376557293933 0.22366533636585 18.998 > 4 5 F 0.67623442706067 0.83811721353034 0.22366533636585 18.998 > 5 6 F 0.16188278646966 0.83811721353034 0.22366533636585 18.998 > 6 *7 K 0.33333333333333 0.66666666666667 0.71954974462014 39.098 > 7 8 K 0.66666666666667 0.33333333333333 0.28045025537986 39.098 > 8 *9 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.492569596379685 0.000000000000000 0.000000000000000 b -5.746284798189842 9.952857225225477 0.000000000000000 c 0.000000000000000 0.000000000000000 14.041509869999997 Atomic positions (fractional): *1 F 0.41905860676517 0.33811721353034 0.25877822121138 18.998 > 1 2 F 0.91905860676517 0.33811721353034 0.25877822121138 18.998 > 1 3 F 0.41905860676517 0.83811721353034 0.25877822121138 18.998 > 1 4 F 0.91905860676517 0.83811721353034 0.25877822121138 18.998 > 1 5 F 0.41905860676517 0.33811721353034 0.59211155454472 18.998 > 1 6 F 0.91905860676517 0.33811721353034 0.59211155454472 18.998 > 1 7 F 0.41905860676517 0.83811721353034 0.59211155454472 18.998 > 1 8 F 0.91905860676517 0.83811721353034 0.59211155454472 18.998 > 1 9 F 0.41905860676517 0.33811721353034 0.92544488787805 18.998 > 1 10 F 0.91905860676517 0.33811721353034 0.92544488787805 18.998 > 1 11 F 0.41905860676517 0.83811721353034 0.92544488787805 18.998 > 1 12 F 0.91905860676517 0.83811721353034 0.92544488787805 18.998 > 1 13 F 0.16188278646966 0.08094139323483 0.25877822121138 18.998 > 2 14 F 0.66188278646966 0.08094139323483 0.25877822121138 18.998 > 2 15 F 0.16188278646966 0.58094139323483 0.25877822121138 18.998 > 2 16 F 0.66188278646966 0.58094139323483 0.25877822121138 18.998 > 2 17 F 0.16188278646966 0.08094139323483 0.59211155454472 18.998 > 2 18 F 0.66188278646966 0.08094139323483 0.59211155454472 18.998 > 2 19 F 0.16188278646966 0.58094139323483 0.59211155454472 18.998 > 2 20 F 0.66188278646966 0.58094139323483 0.59211155454472 18.998 > 2 21 F 0.16188278646966 0.08094139323483 0.92544488787805 18.998 > 2 22 F 0.66188278646966 0.08094139323483 0.92544488787805 18.998 > 2 23 F 0.16188278646966 0.58094139323483 0.92544488787805 18.998 > 2 24 F 0.66188278646966 0.58094139323483 0.92544488787805 18.998 > 2 25 F 0.41905860676517 0.08094139323483 0.25877822121138 18.998 > 3 26 F 0.91905860676517 0.08094139323483 0.25877822121138 18.998 > 3 27 F 0.41905860676517 0.58094139323483 0.25877822121138 18.998 > 3 28 F 0.91905860676517 0.58094139323483 0.25877822121138 18.998 > 3 29 F 0.41905860676517 0.08094139323483 0.59211155454472 18.998 > 3 30 F 0.91905860676517 0.08094139323483 0.59211155454472 18.998 > 3 31 F 0.41905860676517 0.58094139323483 0.59211155454472 18.998 > 3 32 F 0.91905860676517 0.58094139323483 0.59211155454472 18.998 > 3 33 F 0.41905860676517 0.08094139323483 0.92544488787805 18.998 > 3 34 F 0.91905860676517 0.08094139323483 0.92544488787805 18.998 > 3 35 F 0.41905860676517 0.58094139323483 0.92544488787805 18.998 > 3 36 F 0.91905860676517 0.58094139323483 0.92544488787805 18.998 > 3 37 F 0.08094139323483 0.16188278646966 0.07455511212195 18.998 > 4 38 F 0.58094139323483 0.16188278646966 0.07455511212195 18.998 > 4 39 F 0.08094139323483 0.66188278646966 0.07455511212195 18.998 > 4 40 F 0.58094139323483 0.66188278646966 0.07455511212195 18.998 > 4 41 F 0.08094139323483 0.16188278646966 0.40788844545528 18.998 > 4 42 F 0.58094139323483 0.16188278646966 0.40788844545528 18.998 > 4 43 F 0.08094139323483 0.66188278646966 0.40788844545528 18.998 > 4 44 F 0.58094139323483 0.66188278646966 0.40788844545528 18.998 > 4 45 F 0.08094139323483 0.16188278646966 0.74122177878862 18.998 > 4 46 F 0.58094139323483 0.16188278646966 0.74122177878862 18.998 > 4 47 F 0.08094139323483 0.66188278646966 0.74122177878862 18.998 > 4 48 F 0.58094139323483 0.66188278646966 0.74122177878862 18.998 > 4 49 F 0.33811721353034 0.41905860676517 0.07455511212195 18.998 > 5 50 F 0.83811721353034 0.41905860676517 0.07455511212195 18.998 > 5 51 F 0.33811721353034 0.91905860676517 0.07455511212195 18.998 > 5 52 F 0.83811721353034 0.91905860676517 0.07455511212195 18.998 > 5 53 F 0.33811721353034 0.41905860676517 0.40788844545528 18.998 > 5 54 F 0.83811721353034 0.41905860676517 0.40788844545528 18.998 > 5 55 F 0.33811721353034 0.91905860676517 0.40788844545528 18.998 > 5 56 F 0.83811721353034 0.91905860676517 0.40788844545528 18.998 > 5 57 F 0.33811721353034 0.41905860676517 0.74122177878862 18.998 > 5 58 F 0.83811721353034 0.41905860676517 0.74122177878862 18.998 > 5 59 F 0.33811721353034 0.91905860676517 0.74122177878862 18.998 > 5 60 F 0.83811721353034 0.91905860676517 0.74122177878862 18.998 > 5 61 F 0.08094139323483 0.41905860676517 0.07455511212195 18.998 > 6 62 F 0.58094139323483 0.41905860676517 0.07455511212195 18.998 > 6 63 F 0.08094139323483 0.91905860676517 0.07455511212195 18.998 > 6 64 F 0.58094139323483 0.91905860676517 0.07455511212195 18.998 > 6 65 F 0.08094139323483 0.41905860676517 0.40788844545528 18.998 > 6 66 F 0.58094139323483 0.41905860676517 0.40788844545528 18.998 > 6 67 F 0.08094139323483 0.91905860676517 0.40788844545528 18.998 > 6 68 F 0.58094139323483 0.91905860676517 0.40788844545528 18.998 > 6 69 F 0.08094139323483 0.41905860676517 0.74122177878862 18.998 > 6 70 F 0.58094139323483 0.41905860676517 0.74122177878862 18.998 > 6 71 F 0.08094139323483 0.91905860676517 0.74122177878862 18.998 > 6 72 F 0.58094139323483 0.91905860676517 0.74122177878862 18.998 > 6 *73 K 0.16666666666667 0.33333333333333 0.23984991487338 39.098 > 7 74 K 0.66666666666667 0.33333333333333 0.23984991487338 39.098 > 7 75 K 0.16666666666667 0.83333333333333 0.23984991487338 39.098 > 7 76 K 0.66666666666667 0.83333333333333 0.23984991487338 39.098 > 7 77 K 0.16666666666667 0.33333333333333 0.57318324820671 39.098 > 7 78 K 0.66666666666667 0.33333333333333 0.57318324820671 39.098 > 7 79 K 0.16666666666667 0.83333333333333 0.57318324820671 39.098 > 7 80 K 0.66666666666667 0.83333333333333 0.57318324820671 39.098 > 7 81 K 0.16666666666667 0.33333333333333 0.90651658154005 39.098 > 7 82 K 0.66666666666667 0.33333333333333 0.90651658154005 39.098 > 7 83 K 0.16666666666667 0.83333333333333 0.90651658154005 39.098 > 7 84 K 0.66666666666667 0.83333333333333 0.90651658154005 39.098 > 7 85 K 0.33333333333333 0.16666666666667 0.09348341845995 39.098 > 8 86 K 0.83333333333333 0.16666666666667 0.09348341845995 39.098 > 8 87 K 0.33333333333333 0.66666666666667 0.09348341845995 39.098 > 8 88 K 0.83333333333333 0.66666666666667 0.09348341845995 39.098 > 8 89 K 0.33333333333333 0.16666666666667 0.42681675179329 39.098 > 8 90 K 0.83333333333333 0.16666666666667 0.42681675179329 39.098 > 8 91 K 0.33333333333333 0.66666666666667 0.42681675179329 39.098 > 8 92 K 0.83333333333333 0.66666666666667 0.42681675179329 39.098 > 8 93 K 0.33333333333333 0.16666666666667 0.76015008512662 39.098 > 8 94 K 0.83333333333333 0.16666666666667 0.76015008512662 39.098 > 8 95 K 0.33333333333333 0.66666666666667 0.76015008512662 39.098 > 8 96 K 0.83333333333333 0.66666666666667 0.76015008512662 39.098 > 8 *97 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 9 98 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 9 99 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 9 100 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 9 101 Pd 0.00000000000000 0.00000000000000 0.33333333333333 106.420 > 9 102 Pd 0.50000000000000 0.00000000000000 0.33333333333333 106.420 > 9 103 Pd 0.00000000000000 0.50000000000000 0.33333333333333 106.420 > 9 104 Pd 0.50000000000000 0.50000000000000 0.33333333333333 106.420 > 9 105 Pd 0.00000000000000 0.00000000000000 0.66666666666667 106.420 > 9 106 Pd 0.50000000000000 0.00000000000000 0.66666666666667 106.420 > 9 107 Pd 0.00000000000000 0.50000000000000 0.66666666666667 106.420 > 9 108 Pd 0.50000000000000 0.50000000000000 0.66666666666667 106.420 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5623171 -0.0000000 0.0000000 0.0000000 2.5623171 0.0000000 0.0000000 0.0000000 2.3930447 -------------------------- Born effective charges -------------------------- 1 F -0.4969093 0.0000000 0.0000000 -0.0000000 -1.2219790 -0.4976027 -0.0000000 -0.4421188 -0.7768613 2 F -1.0407115 -0.3139644 0.4309366 -0.3139644 -0.6781767 0.2488014 0.3828861 0.2210594 -0.7768613 3 F -1.0407115 0.3139644 -0.4309366 0.3139644 -0.6781767 0.2488014 -0.3828861 0.2210594 -0.7768613 4 F -0.4969093 0.0000000 0.0000000 -0.0000000 -1.2219790 -0.4976027 -0.0000000 -0.4421188 -0.7768613 5 F -1.0407115 -0.3139644 0.4309366 -0.3139644 -0.6781767 0.2488014 0.3828861 0.2210594 -0.7768613 6 F -1.0407115 0.3139644 -0.4309366 0.3139644 -0.6781767 0.2488014 -0.3828861 0.2210594 -0.7768613 7 K 1.3127669 -0.0000000 0.0000000 -0.0000000 1.3127669 0.0000000 -0.0000000 0.0000000 1.2113604 8 K 1.3127669 -0.0000000 0.0000000 -0.0000000 1.3127669 0.0000000 -0.0000000 0.0000000 1.2113604 9 Pd 2.5311309 -0.0000000 0.0000000 -0.0000000 2.5311309 0.0000000 -0.0000000 0.0000000 2.2384468 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 267 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 160 - Time: 0.312 Solver_block: 160 / 160 - Time: 0.226 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.548 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 4806/4806 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 430 Number of blocks in projector: 267 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 158 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 78 Use standard eigh solver. Tree of FC basis block matrices: - (430, 421), data: False |-- (78, 75), data: True |-- (158, 156), data: True |-- (194, 190), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:39:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:39:41]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.746284798189842 0.000000000000000 0.000000000000000 b -2.873142399094921 4.976428612612739 0.000000000000000 c 0.000000000000000 0.000000000000000 4.680503289999999 Atomic positions (fractional): 1 F 0.83811721353034 0.67623442706067 0.77633466363415 18.998 2 F 0.32376557293933 0.16188278646966 0.77633466363415 18.998 3 F 0.83811721353034 0.16188278646966 0.77633466363415 18.998 4 F 0.16188278646966 0.32376557293933 0.22366533636585 18.998 5 F 0.67623442706067 0.83811721353034 0.22366533636585 18.998 6 F 0.16188278646966 0.83811721353034 0.22366533636585 18.998 7 K 0.33333333333333 0.66666666666667 0.71954974462014 39.098 8 K 0.66666666666667 0.33333333333333 0.28045025537986 39.098 9 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.492569596379685 0.000000000000000 0.000000000000000 b -5.746284798189842 9.952857225225477 0.000000000000000 c 0.000000000000000 0.000000000000000 14.041509869999997 Atomic positions (fractional): 1 F 0.41905860676517 0.33811721353034 0.25877822121138 18.998 > 1 2 F 0.91905860676517 0.33811721353034 0.25877822121138 18.998 > 1 3 F 0.41905860676517 0.83811721353034 0.25877822121138 18.998 > 1 4 F 0.91905860676517 0.83811721353034 0.25877822121138 18.998 > 1 5 F 0.41905860676517 0.33811721353034 0.59211155454472 18.998 > 1 6 F 0.91905860676517 0.33811721353034 0.59211155454472 18.998 > 1 7 F 0.41905860676517 0.83811721353034 0.59211155454472 18.998 > 1 8 F 0.91905860676517 0.83811721353034 0.59211155454472 18.998 > 1 9 F 0.41905860676517 0.33811721353034 0.92544488787805 18.998 > 1 10 F 0.91905860676517 0.33811721353034 0.92544488787805 18.998 > 1 11 F 0.41905860676517 0.83811721353034 0.92544488787805 18.998 > 1 12 F 0.91905860676517 0.83811721353034 0.92544488787805 18.998 > 1 13 F 0.16188278646966 0.08094139323483 0.25877822121138 18.998 > 13 14 F 0.66188278646966 0.08094139323483 0.25877822121138 18.998 > 13 15 F 0.16188278646966 0.58094139323483 0.25877822121138 18.998 > 13 16 F 0.66188278646966 0.58094139323483 0.25877822121138 18.998 > 13 17 F 0.16188278646966 0.08094139323483 0.59211155454472 18.998 > 13 18 F 0.66188278646966 0.08094139323483 0.59211155454472 18.998 > 13 19 F 0.16188278646966 0.58094139323483 0.59211155454472 18.998 > 13 20 F 0.66188278646966 0.58094139323483 0.59211155454472 18.998 > 13 21 F 0.16188278646966 0.08094139323483 0.92544488787805 18.998 > 13 22 F 0.66188278646966 0.08094139323483 0.92544488787805 18.998 > 13 23 F 0.16188278646966 0.58094139323483 0.92544488787805 18.998 > 13 24 F 0.66188278646966 0.58094139323483 0.92544488787805 18.998 > 13 25 F 0.41905860676517 0.08094139323483 0.25877822121138 18.998 > 25 26 F 0.91905860676517 0.08094139323483 0.25877822121138 18.998 > 25 27 F 0.41905860676517 0.58094139323483 0.25877822121138 18.998 > 25 28 F 0.91905860676517 0.58094139323483 0.25877822121138 18.998 > 25 29 F 0.41905860676517 0.08094139323483 0.59211155454472 18.998 > 25 30 F 0.91905860676517 0.08094139323483 0.59211155454472 18.998 > 25 31 F 0.41905860676517 0.58094139323483 0.59211155454472 18.998 > 25 32 F 0.91905860676517 0.58094139323483 0.59211155454472 18.998 > 25 33 F 0.41905860676517 0.08094139323483 0.92544488787805 18.998 > 25 34 F 0.91905860676517 0.08094139323483 0.92544488787805 18.998 > 25 35 F 0.41905860676517 0.58094139323483 0.92544488787805 18.998 > 25 36 F 0.91905860676517 0.58094139323483 0.92544488787805 18.998 > 25 37 F 0.08094139323483 0.16188278646966 0.07455511212195 18.998 > 37 38 F 0.58094139323483 0.16188278646966 0.07455511212195 18.998 > 37 39 F 0.08094139323483 0.66188278646966 0.07455511212195 18.998 > 37 40 F 0.58094139323483 0.66188278646966 0.07455511212195 18.998 > 37 41 F 0.08094139323483 0.16188278646966 0.40788844545528 18.998 > 37 42 F 0.58094139323483 0.16188278646966 0.40788844545528 18.998 > 37 43 F 0.08094139323483 0.66188278646966 0.40788844545528 18.998 > 37 44 F 0.58094139323483 0.66188278646966 0.40788844545528 18.998 > 37 45 F 0.08094139323483 0.16188278646966 0.74122177878862 18.998 > 37 46 F 0.58094139323483 0.16188278646966 0.74122177878862 18.998 > 37 47 F 0.08094139323483 0.66188278646966 0.74122177878862 18.998 > 37 48 F 0.58094139323483 0.66188278646966 0.74122177878862 18.998 > 37 49 F 0.33811721353034 0.41905860676517 0.07455511212195 18.998 > 49 50 F 0.83811721353034 0.41905860676517 0.07455511212195 18.998 > 49 51 F 0.33811721353034 0.91905860676517 0.07455511212195 18.998 > 49 52 F 0.83811721353034 0.91905860676517 0.07455511212195 18.998 > 49 53 F 0.33811721353034 0.41905860676517 0.40788844545528 18.998 > 49 54 F 0.83811721353034 0.41905860676517 0.40788844545528 18.998 > 49 55 F 0.33811721353034 0.91905860676517 0.40788844545528 18.998 > 49 56 F 0.83811721353034 0.91905860676517 0.40788844545528 18.998 > 49 57 F 0.33811721353034 0.41905860676517 0.74122177878862 18.998 > 49 58 F 0.83811721353034 0.41905860676517 0.74122177878862 18.998 > 49 59 F 0.33811721353034 0.91905860676517 0.74122177878862 18.998 > 49 60 F 0.83811721353034 0.91905860676517 0.74122177878862 18.998 > 49 61 F 0.08094139323483 0.41905860676517 0.07455511212195 18.998 > 61 62 F 0.58094139323483 0.41905860676517 0.07455511212195 18.998 > 61 63 F 0.08094139323483 0.91905860676517 0.07455511212195 18.998 > 61 64 F 0.58094139323483 0.91905860676517 0.07455511212195 18.998 > 61 65 F 0.08094139323483 0.41905860676517 0.40788844545528 18.998 > 61 66 F 0.58094139323483 0.41905860676517 0.40788844545528 18.998 > 61 67 F 0.08094139323483 0.91905860676517 0.40788844545528 18.998 > 61 68 F 0.58094139323483 0.91905860676517 0.40788844545528 18.998 > 61 69 F 0.08094139323483 0.41905860676517 0.74122177878862 18.998 > 61 70 F 0.58094139323483 0.41905860676517 0.74122177878862 18.998 > 61 71 F 0.08094139323483 0.91905860676517 0.74122177878862 18.998 > 61 72 F 0.58094139323483 0.91905860676517 0.74122177878862 18.998 > 61 73 K 0.16666666666667 0.33333333333333 0.23984991487338 39.098 > 73 74 K 0.66666666666667 0.33333333333333 0.23984991487338 39.098 > 73 75 K 0.16666666666667 0.83333333333333 0.23984991487338 39.098 > 73 76 K 0.66666666666667 0.83333333333333 0.23984991487338 39.098 > 73 77 K 0.16666666666667 0.33333333333333 0.57318324820671 39.098 > 73 78 K 0.66666666666667 0.33333333333333 0.57318324820671 39.098 > 73 79 K 0.16666666666667 0.83333333333333 0.57318324820671 39.098 > 73 80 K 0.66666666666667 0.83333333333333 0.57318324820671 39.098 > 73 81 K 0.16666666666667 0.33333333333333 0.90651658154005 39.098 > 73 82 K 0.66666666666667 0.33333333333333 0.90651658154005 39.098 > 73 83 K 0.16666666666667 0.83333333333333 0.90651658154005 39.098 > 73 84 K 0.66666666666667 0.83333333333333 0.90651658154005 39.098 > 73 85 K 0.33333333333333 0.16666666666667 0.09348341845995 39.098 > 85 86 K 0.83333333333333 0.16666666666667 0.09348341845995 39.098 > 85 87 K 0.33333333333333 0.66666666666667 0.09348341845995 39.098 > 85 88 K 0.83333333333333 0.66666666666667 0.09348341845995 39.098 > 85 89 K 0.33333333333333 0.16666666666667 0.42681675179329 39.098 > 85 90 K 0.83333333333333 0.16666666666667 0.42681675179329 39.098 > 85 91 K 0.33333333333333 0.66666666666667 0.42681675179329 39.098 > 85 92 K 0.83333333333333 0.66666666666667 0.42681675179329 39.098 > 85 93 K 0.33333333333333 0.16666666666667 0.76015008512662 39.098 > 85 94 K 0.83333333333333 0.16666666666667 0.76015008512662 39.098 > 85 95 K 0.33333333333333 0.66666666666667 0.76015008512662 39.098 > 85 96 K 0.83333333333333 0.66666666666667 0.76015008512662 39.098 > 85 97 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 97 98 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 97 99 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 97 100 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 97 101 Pd 0.00000000000000 0.00000000000000 0.33333333333333 106.420 > 97 102 Pd 0.50000000000000 0.00000000000000 0.33333333333333 106.420 > 97 103 Pd 0.00000000000000 0.50000000000000 0.33333333333333 106.420 > 97 104 Pd 0.50000000000000 0.50000000000000 0.33333333333333 106.420 > 97 105 Pd 0.00000000000000 0.00000000000000 0.66666666666667 106.420 > 97 106 Pd 0.50000000000000 0.00000000000000 0.66666666666667 106.420 > 97 107 Pd 0.00000000000000 0.50000000000000 0.66666666666667 106.420 > 97 108 Pd 0.50000000000000 0.50000000000000 0.66666666666667 106.420 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5623171 -0.0000000 0.0000000 0.0000000 2.5623171 0.0000000 0.0000000 0.0000000 2.3930447 -------------------------- Born effective charges -------------------------- 1 F -0.4969093 0.0000000 0.0000000 -0.0000000 -1.2219790 -0.4976027 -0.0000000 -0.4421188 -0.7768613 2 F -1.0407115 -0.3139644 0.4309366 -0.3139644 -0.6781767 0.2488014 0.3828861 0.2210594 -0.7768613 3 F -1.0407115 0.3139644 -0.4309366 0.3139644 -0.6781767 0.2488014 -0.3828861 0.2210594 -0.7768613 4 F -0.4969093 0.0000000 0.0000000 -0.0000000 -1.2219790 -0.4976027 -0.0000000 -0.4421188 -0.7768613 5 F -1.0407115 -0.3139644 0.4309366 -0.3139644 -0.6781767 0.2488014 0.3828861 0.2210594 -0.7768613 6 F -1.0407115 0.3139644 -0.4309366 0.3139644 -0.6781767 0.2488014 -0.3828861 0.2210594 -0.7768613 7 K 1.3127669 -0.0000000 0.0000000 -0.0000000 1.3127669 0.0000000 -0.0000000 0.0000000 1.2113604 8 K 1.3127669 -0.0000000 0.0000000 -0.0000000 1.3127669 0.0000000 -0.0000000 0.0000000 1.2113604 9 Pd 2.5311309 -0.0000000 0.0000000 -0.0000000 2.5311309 0.0000000 -0.0000000 0.0000000 2.2384468 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:39:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:39:48]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3m1 (164) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.746284798189842 0.000000000000000 0.000000000000000 b -2.873142399094921 4.976428612612739 0.000000000000000 c 0.000000000000000 0.000000000000000 4.680503289999999 Atomic positions (fractional): 1 F 0.83811721353034 0.67623442706067 0.77633466363415 18.998 2 F 0.32376557293933 0.16188278646966 0.77633466363415 18.998 3 F 0.83811721353034 0.16188278646966 0.77633466363415 18.998 4 F 0.16188278646966 0.32376557293933 0.22366533636585 18.998 5 F 0.67623442706067 0.83811721353034 0.22366533636585 18.998 6 F 0.16188278646966 0.83811721353034 0.22366533636585 18.998 7 K 0.33333333333333 0.66666666666667 0.71954974462014 39.098 8 K 0.66666666666667 0.33333333333333 0.28045025537986 39.098 9 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.492569596379685 0.000000000000000 0.000000000000000 b -5.746284798189842 9.952857225225477 0.000000000000000 c 0.000000000000000 0.000000000000000 14.041509869999997 Atomic positions (fractional): 1 F 0.41905860676517 0.33811721353034 0.25877822121138 18.998 > 1 2 F 0.91905860676517 0.33811721353034 0.25877822121138 18.998 > 1 3 F 0.41905860676517 0.83811721353034 0.25877822121138 18.998 > 1 4 F 0.91905860676517 0.83811721353034 0.25877822121138 18.998 > 1 5 F 0.41905860676517 0.33811721353034 0.59211155454472 18.998 > 1 6 F 0.91905860676517 0.33811721353034 0.59211155454472 18.998 > 1 7 F 0.41905860676517 0.83811721353034 0.59211155454472 18.998 > 1 8 F 0.91905860676517 0.83811721353034 0.59211155454472 18.998 > 1 9 F 0.41905860676517 0.33811721353034 0.92544488787805 18.998 > 1 10 F 0.91905860676517 0.33811721353034 0.92544488787805 18.998 > 1 11 F 0.41905860676517 0.83811721353034 0.92544488787805 18.998 > 1 12 F 0.91905860676517 0.83811721353034 0.92544488787805 18.998 > 1 13 F 0.16188278646966 0.08094139323483 0.25877822121138 18.998 > 13 14 F 0.66188278646966 0.08094139323483 0.25877822121138 18.998 > 13 15 F 0.16188278646966 0.58094139323483 0.25877822121138 18.998 > 13 16 F 0.66188278646966 0.58094139323483 0.25877822121138 18.998 > 13 17 F 0.16188278646966 0.08094139323483 0.59211155454472 18.998 > 13 18 F 0.66188278646966 0.08094139323483 0.59211155454472 18.998 > 13 19 F 0.16188278646966 0.58094139323483 0.59211155454472 18.998 > 13 20 F 0.66188278646966 0.58094139323483 0.59211155454472 18.998 > 13 21 F 0.16188278646966 0.08094139323483 0.92544488787805 18.998 > 13 22 F 0.66188278646966 0.08094139323483 0.92544488787805 18.998 > 13 23 F 0.16188278646966 0.58094139323483 0.92544488787805 18.998 > 13 24 F 0.66188278646966 0.58094139323483 0.92544488787805 18.998 > 13 25 F 0.41905860676517 0.08094139323483 0.25877822121138 18.998 > 25 26 F 0.91905860676517 0.08094139323483 0.25877822121138 18.998 > 25 27 F 0.41905860676517 0.58094139323483 0.25877822121138 18.998 > 25 28 F 0.91905860676517 0.58094139323483 0.25877822121138 18.998 > 25 29 F 0.41905860676517 0.08094139323483 0.59211155454472 18.998 > 25 30 F 0.91905860676517 0.08094139323483 0.59211155454472 18.998 > 25 31 F 0.41905860676517 0.58094139323483 0.59211155454472 18.998 > 25 32 F 0.91905860676517 0.58094139323483 0.59211155454472 18.998 > 25 33 F 0.41905860676517 0.08094139323483 0.92544488787805 18.998 > 25 34 F 0.91905860676517 0.08094139323483 0.92544488787805 18.998 > 25 35 F 0.41905860676517 0.58094139323483 0.92544488787805 18.998 > 25 36 F 0.91905860676517 0.58094139323483 0.92544488787805 18.998 > 25 37 F 0.08094139323483 0.16188278646966 0.07455511212195 18.998 > 37 38 F 0.58094139323483 0.16188278646966 0.07455511212195 18.998 > 37 39 F 0.08094139323483 0.66188278646966 0.07455511212195 18.998 > 37 40 F 0.58094139323483 0.66188278646966 0.07455511212195 18.998 > 37 41 F 0.08094139323483 0.16188278646966 0.40788844545528 18.998 > 37 42 F 0.58094139323483 0.16188278646966 0.40788844545528 18.998 > 37 43 F 0.08094139323483 0.66188278646966 0.40788844545528 18.998 > 37 44 F 0.58094139323483 0.66188278646966 0.40788844545528 18.998 > 37 45 F 0.08094139323483 0.16188278646966 0.74122177878862 18.998 > 37 46 F 0.58094139323483 0.16188278646966 0.74122177878862 18.998 > 37 47 F 0.08094139323483 0.66188278646966 0.74122177878862 18.998 > 37 48 F 0.58094139323483 0.66188278646966 0.74122177878862 18.998 > 37 49 F 0.33811721353034 0.41905860676517 0.07455511212195 18.998 > 49 50 F 0.83811721353034 0.41905860676517 0.07455511212195 18.998 > 49 51 F 0.33811721353034 0.91905860676517 0.07455511212195 18.998 > 49 52 F 0.83811721353034 0.91905860676517 0.07455511212195 18.998 > 49 53 F 0.33811721353034 0.41905860676517 0.40788844545528 18.998 > 49 54 F 0.83811721353034 0.41905860676517 0.40788844545528 18.998 > 49 55 F 0.33811721353034 0.91905860676517 0.40788844545528 18.998 > 49 56 F 0.83811721353034 0.91905860676517 0.40788844545528 18.998 > 49 57 F 0.33811721353034 0.41905860676517 0.74122177878862 18.998 > 49 58 F 0.83811721353034 0.41905860676517 0.74122177878862 18.998 > 49 59 F 0.33811721353034 0.91905860676517 0.74122177878862 18.998 > 49 60 F 0.83811721353034 0.91905860676517 0.74122177878862 18.998 > 49 61 F 0.08094139323483 0.41905860676517 0.07455511212195 18.998 > 61 62 F 0.58094139323483 0.41905860676517 0.07455511212195 18.998 > 61 63 F 0.08094139323483 0.91905860676517 0.07455511212195 18.998 > 61 64 F 0.58094139323483 0.91905860676517 0.07455511212195 18.998 > 61 65 F 0.08094139323483 0.41905860676517 0.40788844545528 18.998 > 61 66 F 0.58094139323483 0.41905860676517 0.40788844545528 18.998 > 61 67 F 0.08094139323483 0.91905860676517 0.40788844545528 18.998 > 61 68 F 0.58094139323483 0.91905860676517 0.40788844545528 18.998 > 61 69 F 0.08094139323483 0.41905860676517 0.74122177878862 18.998 > 61 70 F 0.58094139323483 0.41905860676517 0.74122177878862 18.998 > 61 71 F 0.08094139323483 0.91905860676517 0.74122177878862 18.998 > 61 72 F 0.58094139323483 0.91905860676517 0.74122177878862 18.998 > 61 73 K 0.16666666666667 0.33333333333333 0.23984991487338 39.098 > 73 74 K 0.66666666666667 0.33333333333333 0.23984991487338 39.098 > 73 75 K 0.16666666666667 0.83333333333333 0.23984991487338 39.098 > 73 76 K 0.66666666666667 0.83333333333333 0.23984991487338 39.098 > 73 77 K 0.16666666666667 0.33333333333333 0.57318324820671 39.098 > 73 78 K 0.66666666666667 0.33333333333333 0.57318324820671 39.098 > 73 79 K 0.16666666666667 0.83333333333333 0.57318324820671 39.098 > 73 80 K 0.66666666666667 0.83333333333333 0.57318324820671 39.098 > 73 81 K 0.16666666666667 0.33333333333333 0.90651658154005 39.098 > 73 82 K 0.66666666666667 0.33333333333333 0.90651658154005 39.098 > 73 83 K 0.16666666666667 0.83333333333333 0.90651658154005 39.098 > 73 84 K 0.66666666666667 0.83333333333333 0.90651658154005 39.098 > 73 85 K 0.33333333333333 0.16666666666667 0.09348341845995 39.098 > 85 86 K 0.83333333333333 0.16666666666667 0.09348341845995 39.098 > 85 87 K 0.33333333333333 0.66666666666667 0.09348341845995 39.098 > 85 88 K 0.83333333333333 0.66666666666667 0.09348341845995 39.098 > 85 89 K 0.33333333333333 0.16666666666667 0.42681675179329 39.098 > 85 90 K 0.83333333333333 0.16666666666667 0.42681675179329 39.098 > 85 91 K 0.33333333333333 0.66666666666667 0.42681675179329 39.098 > 85 92 K 0.83333333333333 0.66666666666667 0.42681675179329 39.098 > 85 93 K 0.33333333333333 0.16666666666667 0.76015008512662 39.098 > 85 94 K 0.83333333333333 0.16666666666667 0.76015008512662 39.098 > 85 95 K 0.33333333333333 0.66666666666667 0.76015008512662 39.098 > 85 96 K 0.83333333333333 0.66666666666667 0.76015008512662 39.098 > 85 97 Pd 0.00000000000000 0.00000000000000 0.00000000000000 106.420 > 97 98 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 97 99 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 97 100 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 97 101 Pd 0.00000000000000 0.00000000000000 0.33333333333333 106.420 > 97 102 Pd 0.50000000000000 0.00000000000000 0.33333333333333 106.420 > 97 103 Pd 0.00000000000000 0.50000000000000 0.33333333333333 106.420 > 97 104 Pd 0.50000000000000 0.50000000000000 0.33333333333333 106.420 > 97 105 Pd 0.00000000000000 0.00000000000000 0.66666666666667 106.420 > 97 106 Pd 0.50000000000000 0.00000000000000 0.66666666666667 106.420 > 97 107 Pd 0.00000000000000 0.50000000000000 0.66666666666667 106.420 > 97 108 Pd 0.50000000000000 0.50000000000000 0.66666666666667 106.420 > 97 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5623171 -0.0000000 0.0000000 0.0000000 2.5623171 0.0000000 0.0000000 0.0000000 2.3930447 -------------------------- Born effective charges -------------------------- 1 F -0.4969093 0.0000000 0.0000000 -0.0000000 -1.2219790 -0.4976027 -0.0000000 -0.4421188 -0.7768613 2 F -1.0407115 -0.3139644 0.4309366 -0.3139644 -0.6781767 0.2488014 0.3828861 0.2210594 -0.7768613 3 F -1.0407115 0.3139644 -0.4309366 0.3139644 -0.6781767 0.2488014 -0.3828861 0.2210594 -0.7768613 4 F -0.4969093 0.0000000 0.0000000 -0.0000000 -1.2219790 -0.4976027 -0.0000000 -0.4421188 -0.7768613 5 F -1.0407115 -0.3139644 0.4309366 -0.3139644 -0.6781767 0.2488014 0.3828861 0.2210594 -0.7768613 6 F -1.0407115 0.3139644 -0.4309366 0.3139644 -0.6781767 0.2488014 -0.3828861 0.2210594 -0.7768613 7 K 1.3127669 -0.0000000 0.0000000 -0.0000000 1.3127669 0.0000000 -0.0000000 0.0000000 1.2113604 8 K 1.3127669 -0.0000000 0.0000000 -0.0000000 1.3127669 0.0000000 -0.0000000 0.0000000 1.2113604 9 Pd 2.5311309 -0.0000000 0.0000000 -0.0000000 2.5311309 0.0000000 -0.0000000 0.0000000 2.2384468 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxy) -0.00000001 (xxy) -0.00000001 (xyx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.81, Number of G-points: 283, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/124) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 124 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 1.951 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 15.845 ( 0.000 0.000 0.000) 0.000 15.845 ( 0.000 0.000 0.000) 0.000 16.604 ( 0.000 0.000 0.000) 0.000 17.501 ( 0.000 0.000 0.000) 0.000 17.501 ( 0.000 0.000 0.000) 0.000 17.536 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/124) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.273 ( 11.639 6.720 -1.907) 13.574 0.448 ( 19.121 11.040 -3.900) 22.421 0.830 ( 34.905 20.153 2.644) 40.392 2.004 ( 4.135 2.387 0.072) 4.775 2.467 ( -1.382 -0.798 -0.597) 1.704 2.491 ( 0.883 0.510 -0.491) 1.132 2.717 ( 3.782 2.183 2.896) 5.240 2.998 ( -1.215 -0.702 -0.148) 1.411 3.367 ( -5.792 -3.344 2.984) 7.323 3.644 ( -2.340 -1.351 -2.472) 3.662 3.754 ( 5.085 2.936 -2.065) 6.225 5.036 ( -3.436 -1.984 0.328) 3.981 6.590 ( -4.268 -2.464 0.853) 5.002 6.671 ( 2.203 1.272 -0.054) 2.544 6.922 ( -1.215 -0.701 -0.602) 1.526 6.923 ( -1.143 -0.660 1.098) 1.716 7.016 ( 0.678 0.391 0.017) 0.783 7.273 ( 3.275 1.891 -0.027) 3.782 7.805 ( -2.304 -1.330 -0.137) 2.664 8.452 ( -0.161 -0.093 0.179) 0.258 8.549 ( 0.995 0.575 -0.660) 1.326 15.844 ( -0.081 -0.046 -0.186) 0.208 15.859 ( 1.277 0.737 -1.134) 1.860 16.596 ( -0.651 -0.376 0.004) 0.751 17.494 ( -3.557 -2.054 -1.426) 4.348 17.505 ( 0.291 0.168 0.215) 0.400 18.722 ( -0.228 -0.132 2.076) 2.093 ======================= Grid point 2 (3/124) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 10.862 6.271 -1.928) 12.689 0.881 ( 18.015 10.401 -4.079) 21.198 1.599 ( 30.949 17.868 2.424) 35.819 2.115 ( 4.714 2.722 0.508) 5.467 2.418 ( -2.554 -1.475 0.140) 2.953 2.523 ( 1.850 1.068 -0.923) 2.327 2.834 ( 5.046 2.913 4.726) 7.502 2.969 ( -0.361 -0.209 -1.204) 1.274 3.240 ( -4.558 -2.632 3.456) 6.297 3.566 ( -4.200 -2.425 -3.592) 6.035 3.862 ( 3.931 2.270 -1.879) 4.913 4.923 ( -6.170 -3.563 0.019) 7.125 6.473 ( -5.351 -3.089 1.064) 6.270 6.739 ( 3.337 1.927 -0.735) 3.923 6.881 ( -2.283 -1.318 -0.628) 2.709 6.899 ( -0.662 -0.382 2.441) 2.558 7.025 ( 0.037 0.021 -0.123) 0.130 7.360 ( 3.857 2.227 -0.048) 4.454 7.731 ( -3.845 -2.220 -0.108) 4.441 8.448 ( -0.190 -0.109 0.273) 0.350 8.580 ( 1.551 0.895 -1.069) 2.085 15.841 ( -0.097 -0.056 -0.294) 0.315 15.905 ( 2.640 1.524 -2.001) 3.647 16.576 ( -1.042 -0.602 0.033) 1.204 17.377 ( -6.332 -3.656 -2.097) 7.606 17.514 ( 0.444 0.256 0.343) 0.617 18.715 ( -0.376 -0.217 3.283) 3.312 ======================= Grid point 3 (4/124) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 8.883 5.129 -1.711) 10.399 1.273 ( 15.430 8.909 -4.030) 18.268 2.195 ( 1.844 1.065 1.267) 2.478 2.233 ( 21.931 12.662 -0.350) 25.326 2.365 ( -1.197 -0.691 2.660) 2.998 2.565 ( 1.371 0.791 -0.877) 1.809 2.867 ( -0.579 -0.335 2.662) 2.745 3.058 ( 6.582 3.800 1.305) 7.712 3.175 ( -0.871 -0.503 2.855) 3.027 3.460 ( -4.603 -2.658 -3.389) 6.303 3.930 ( 1.927 1.112 -1.382) 2.619 4.759 ( -7.632 -4.406 -0.835) 8.852 6.357 ( -4.425 -2.555 0.909) 5.190 6.808 ( 2.139 1.235 -1.481) 2.879 6.823 ( -2.555 -1.475 -0.472) 2.988 6.904 ( 1.302 0.752 3.101) 3.446 7.015 ( -0.931 -0.537 -0.275) 1.109 7.441 ( 2.927 1.690 -0.017) 3.379 7.637 ( -3.948 -2.280 0.108) 4.560 8.444 ( -0.103 -0.059 0.252) 0.278 8.616 ( 1.479 0.854 -1.073) 2.017 15.839 ( -0.056 -0.032 -0.287) 0.294 15.980 ( 3.695 2.133 -2.282) 4.839 16.551 ( -1.011 -0.584 0.090) 1.171 17.213 ( -7.388 -4.265 -1.806) 8.720 17.524 ( 0.410 0.237 0.336) 0.581 18.706 ( -0.403 -0.233 3.208) 3.242 ======================= Grid point 4 (5/124) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 5.174 2.987 -1.049) 6.066 1.578 ( 10.309 5.952 -3.149) 12.313 2.201 ( -1.014 -0.585 1.654) 2.026 2.319 ( -0.928 -0.536 -0.664) 1.261 2.577 ( -0.166 -0.096 -0.320) 0.373 2.578 ( 4.970 2.869 0.932) 5.814 2.934 ( 7.336 4.235 2.282) 8.773 3.191 ( 1.573 0.908 1.399) 2.293 3.199 ( 4.997 2.885 2.893) 6.454 3.367 ( -3.179 -1.835 -3.043) 4.768 3.956 ( 0.450 0.260 -0.743) 0.907 4.589 ( -6.376 -3.681 -1.219) 7.463 6.275 ( -2.458 -1.419 0.526) 2.887 6.771 ( -1.714 -0.989 -0.256) 1.995 6.837 ( 0.755 0.436 0.135) 0.883 6.949 ( 1.924 1.111 -0.692) 2.327 6.987 ( -1.281 -0.739 1.216) 1.915 7.493 ( 1.513 0.873 0.007) 1.747 7.560 ( -2.465 -1.423 0.231) 2.855 8.443 ( -0.022 -0.012 0.144) 0.146 8.644 ( 0.879 0.508 -0.667) 1.215 15.839 ( -0.014 -0.008 -0.173) 0.174 16.064 ( 3.208 1.852 -1.635) 4.049 16.532 ( -0.572 -0.330 0.117) 0.670 17.057 ( -5.521 -3.187 -0.928) 6.442 17.532 ( 0.236 0.136 0.205) 0.341 18.698 ( -0.269 -0.155 1.953) 1.978 ======================= Grid point 5 (6/124) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 0.000 0.000 -0.000) 0.000 1.709 ( 0.000 0.000 -0.000) 0.000 2.179 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 -0.000) 0.000 3.052 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 -0.000) 0.000 3.960 ( 0.000 0.000 -0.000) 0.000 4.506 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 -0.000) 0.000 6.750 ( 0.000 0.000 -0.000) 0.000 6.847 ( 0.000 0.000 -0.000) 0.000 6.965 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 -0.000) 0.000 7.510 ( 0.000 0.000 -0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 8.443 ( 0.000 0.000 -0.000) 0.000 8.655 ( 0.000 0.000 -0.000) 0.000 15.839 ( 0.000 0.000 0.000) 0.000 16.106 ( 0.000 0.000 -0.000) 0.000 16.525 ( 0.000 0.000 0.000) 0.000 16.987 ( 0.000 0.000 -0.000) 0.000 17.535 ( 0.000 0.000 -0.000) 0.000 18.694 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/124) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 6.154 10.659 0.000) 12.308 0.783 ( 11.121 19.262 0.000) 22.242 1.397 ( 18.391 31.854 0.000) 36.782 2.085 ( 2.906 5.034 0.000) 5.813 2.441 ( -0.936 -1.621 0.000) 1.871 2.511 ( 0.778 1.347 0.000) 1.556 2.790 ( 2.832 4.906 0.000) 5.665 2.972 ( -0.985 -1.706 0.000) 1.970 3.286 ( -2.438 -4.222 0.000) 4.875 3.581 ( -2.199 -3.809 0.000) 4.399 3.842 ( 2.526 4.374 0.000) 5.051 4.956 ( -3.333 -5.773 0.000) 6.666 6.541 ( -2.079 -3.601 0.000) 4.158 6.684 ( 0.913 1.581 0.000) 1.825 6.897 ( -0.871 -1.508 0.000) 1.741 6.899 ( -0.980 -1.697 0.000) 1.959 7.023 ( 0.113 0.195 0.000) 0.225 7.339 ( 2.395 4.149 0.000) 4.791 7.754 ( -2.073 -3.591 0.000) 4.147 8.451 ( 0.004 0.006 0.000) 0.007 8.569 ( 0.775 1.342 0.000) 1.550 15.862 ( 0.554 0.959 0.000) 1.107 15.866 ( 0.509 0.881 0.000) 1.018 16.582 ( -0.566 -0.981 0.000) 1.133 17.398 ( -3.512 -6.082 0.000) 7.023 17.538 ( 1.031 1.785 0.000) 2.062 18.711 ( -0.571 -0.989 0.000) 1.142 ======================= Grid point 13 (8/124) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 7.932 7.038 -1.058) 10.657 1.172 ( 11.893 17.154 -2.287) 20.998 2.015 ( 20.124 21.314 1.067) 29.333 2.172 ( 2.126 2.205 0.576) 3.117 2.410 ( -2.206 1.167 0.300) 2.514 2.547 ( 1.985 1.207 -0.444) 2.365 2.875 ( 0.456 1.637 2.299) 2.859 2.962 ( 3.728 -0.796 -0.254) 3.820 3.221 ( -2.190 0.552 1.873) 2.934 3.500 ( -3.031 -3.355 -2.074) 4.975 3.911 ( 1.694 1.884 -0.860) 2.675 4.816 ( -5.251 -6.646 -0.267) 8.474 6.447 ( -5.912 -0.134 0.617) 5.946 6.741 ( 4.636 -0.963 -0.767) 4.796 6.852 ( -2.234 -1.342 -1.110) 2.833 6.877 ( 0.416 -1.734 2.592) 3.146 7.019 ( -0.412 -0.680 -0.302) 0.851 7.422 ( 2.377 3.516 0.005) 4.244 7.669 ( -3.122 -3.839 0.014) 4.948 8.453 ( -0.181 0.639 0.187) 0.690 8.599 ( 1.247 0.949 -0.642) 1.694 15.860 ( -1.338 1.759 0.194) 2.219 15.918 ( 3.977 -0.044 -1.571) 4.276 16.559 ( -0.818 -0.984 0.036) 1.280 17.258 ( -4.789 -7.034 -0.870) 8.554 17.573 ( -0.754 4.714 -0.117) 4.775 18.686 ( -0.062 -2.758 1.910) 3.356 ======================= Grid point 14 (9/124) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 6.737 3.463 -1.098) 7.654 1.520 ( 8.983 14.948 -2.949) 17.687 2.201 ( 0.454 -0.155 1.056) 1.160 2.379 ( -3.270 3.670 -1.292) 5.082 2.439 ( 9.168 2.951 2.164) 9.872 2.620 ( 3.409 5.955 -0.111) 6.863 2.875 ( 1.471 1.638 1.509) 2.669 3.070 ( 7.762 -0.729 2.121) 8.079 3.227 ( 0.143 3.163 1.514) 3.510 3.415 ( -3.812 -1.076 -2.295) 4.577 3.939 ( 0.925 -0.657 -0.803) 1.390 4.654 ( -5.831 -5.366 -0.882) 7.973 6.351 ( -5.594 1.690 0.566) 5.871 6.795 ( -0.243 -0.933 -0.473) 1.074 6.811 ( 1.402 -0.986 -1.485) 2.268 6.884 ( 2.879 -2.479 2.987) 4.833 6.995 ( -1.055 -1.401 -0.672) 1.878 7.486 ( 1.381 2.536 0.029) 2.888 7.580 ( -2.565 -3.287 0.175) 4.173 8.457 ( -0.505 1.358 0.217) 1.465 8.628 ( 1.252 0.203 -0.717) 1.456 15.854 ( -1.069 1.337 -0.009) 1.711 15.995 ( 4.821 -0.504 -1.645) 5.119 16.537 ( -0.639 -0.769 0.085) 1.004 17.104 ( -4.928 -5.749 -0.819) 7.616 17.604 ( -2.633 7.216 -0.147) 7.683 18.657 ( 1.226 -4.736 2.084) 5.318 ======================= Grid point 15 (10/124) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 3.322 -0.154 -0.458) 3.357 1.754 ( 1.647 10.876 -1.714) 11.133 2.199 ( -0.866 0.971 0.890) 1.577 2.345 ( -3.145 2.543 0.032) 4.045 2.492 ( 2.687 -4.909 0.225) 5.601 2.685 ( -2.455 4.954 -0.334) 5.539 2.990 ( 6.070 0.226 1.032) 6.161 3.190 ( 5.577 -0.119 2.280) 6.026 3.252 ( 0.182 -0.379 -0.231) 0.480 3.358 ( -3.316 2.790 -1.190) 4.494 3.939 ( 1.016 -2.188 -0.344) 2.437 4.531 ( -3.350 -1.558 -0.610) 3.745 6.295 ( -3.530 3.146 0.221) 4.734 6.766 ( -1.362 0.630 -0.222) 1.517 6.836 ( 1.322 -0.724 -0.026) 1.508 6.913 ( 3.736 -4.376 0.610) 5.786 6.963 ( -0.545 -1.382 -0.262) 1.509 7.519 ( 0.059 1.561 0.033) 1.563 7.524 ( -0.538 -2.058 0.116) 2.131 8.461 ( -0.883 1.764 0.094) 1.975 8.644 ( 0.815 -0.540 -0.304) 1.024 15.850 ( -0.738 1.078 -0.024) 1.307 16.059 ( 3.494 -2.178 -0.733) 4.182 16.524 ( -0.126 -0.447 0.058) 0.468 16.994 ( -2.137 -2.602 -0.295) 3.380 17.623 ( -4.334 8.533 -0.070) 9.570 18.638 ( 2.752 -5.843 0.875) 6.517 ======================= Grid point 23 (11/124) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 3.523 6.102 0.000) 7.046 1.526 ( 9.994 17.310 0.000) 19.988 2.194 ( 0.284 0.492 0.000) 0.568 2.360 ( 5.686 9.849 0.000) 11.373 2.455 ( 1.169 2.024 0.000) 2.337 2.595 ( 3.225 5.586 0.000) 6.450 2.920 ( 0.793 1.373 0.000) 1.585 2.949 ( 1.090 1.888 0.000) 2.180 3.241 ( 0.558 0.966 0.000) 1.116 3.451 ( -0.744 -1.289 0.000) 1.488 3.925 ( -0.341 -0.590 0.000) 0.681 4.678 ( -3.788 -6.561 0.000) 7.576 6.440 ( -0.569 -0.985 0.000) 1.137 6.729 ( 0.070 0.122 0.000) 0.140 6.825 ( -0.853 -1.477 0.000) 1.705 6.846 ( -0.517 -0.896 0.000) 1.035 6.997 ( -0.893 -1.546 0.000) 1.785 7.488 ( 1.635 2.831 0.000) 3.269 7.586 ( -2.400 -4.156 0.000) 4.799 8.472 ( 0.688 1.192 0.000) 1.377 8.615 ( 0.335 0.580 0.000) 0.669 15.896 ( 0.264 0.458 0.000) 0.529 15.920 ( 0.936 1.621 0.000) 1.872 16.539 ( -0.571 -0.989 0.000) 1.142 17.117 ( -3.851 -6.670 0.000) 7.701 17.682 ( 3.360 5.820 0.000) 6.720 18.610 ( -2.610 -4.521 0.000) 5.220 ======================= Grid point 24 (12/124) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 3.116 1.519 -0.313) 3.480 1.836 ( 5.530 15.441 -1.275) 16.451 2.211 ( 0.685 1.490 0.494) 1.712 2.409 ( 0.639 -4.110 0.658) 4.211 2.458 ( -4.024 3.830 -0.202) 5.559 2.739 ( 3.529 3.920 -0.247) 5.281 2.926 ( -0.360 3.029 -0.091) 3.051 3.056 ( 7.846 -0.992 1.974) 8.151 3.242 ( -0.543 -1.801 -0.511) 1.949 3.455 ( -1.091 5.412 -0.156) 5.523 3.894 ( -0.157 -3.894 -0.285) 3.908 4.569 ( -2.967 -2.830 -0.325) 4.113 6.410 ( -4.030 3.838 0.188) 5.568 6.744 ( 3.969 -4.901 -0.520) 6.328 6.801 ( -1.354 0.962 -0.789) 1.839 6.842 ( 1.092 -1.154 1.896) 2.473 6.959 ( -1.104 -2.236 -0.596) 2.564 7.513 ( -1.373 -3.102 0.093) 3.393 7.532 ( 0.646 1.834 0.012) 1.944 8.496 ( -0.174 2.350 0.129) 2.360 8.622 ( 0.612 -0.785 -0.255) 1.028 15.886 ( -1.672 1.672 0.206) 2.373 15.971 ( 3.622 -1.569 -0.653) 4.000 16.522 ( -0.321 -0.650 0.031) 0.725 17.003 ( -2.628 -4.107 -0.150) 4.878 17.792 ( -1.015 10.989 -0.261) 11.038 18.519 ( 0.425 -8.818 0.709) 8.857 ======================= Grid point 25 (13/124) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.875 -1.515 0.000) 1.750 1.976 ( -5.809 10.061 0.000) 11.617 2.233 ( -0.967 1.674 -0.000) 1.933 2.384 ( 3.264 -5.653 -0.000) 6.528 2.427 ( -3.594 6.225 0.000) 7.189 2.779 ( -1.345 2.330 0.000) 2.690 2.948 ( 1.199 -2.077 -0.000) 2.399 3.157 ( 2.116 -3.665 -0.000) 4.232 3.191 ( 2.006 -3.474 0.000) 4.012 3.487 ( -4.636 8.030 0.000) 9.272 3.866 ( 2.787 -4.827 -0.000) 5.574 4.527 ( -0.410 0.711 -0.000) 0.821 6.392 ( -3.566 6.176 0.000) 7.132 6.754 ( 4.110 -7.118 -0.000) 8.219 6.797 ( -1.002 1.735 -0.000) 2.004 6.850 ( 0.514 -0.890 0.000) 1.028 6.931 ( 1.006 -1.743 -0.000) 2.013 7.484 ( 0.952 -1.648 -0.000) 1.903 7.547 ( -0.572 0.990 0.000) 1.144 8.507 ( -1.481 2.566 -0.000) 2.963 8.623 ( 0.880 -1.524 0.000) 1.760 15.880 ( -1.037 1.797 -0.000) 2.075 15.997 ( 2.002 -3.467 0.000) 4.003 16.516 ( 0.175 -0.303 -0.000) 0.350 16.957 ( 0.677 -1.172 0.000) 1.354 17.844 ( -7.105 12.307 0.000) 14.211 18.473 ( 5.749 -9.957 -0.000) 11.497 ======================= Grid point 35 (14/124) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.180 0.311 0.000) 0.359 2.101 ( 5.718 9.903 0.000) 11.435 2.250 ( 0.941 1.631 0.000) 1.883 2.302 ( -3.383 -5.860 0.000) 6.767 2.546 ( 2.917 5.052 0.000) 5.833 2.725 ( -2.618 -4.535 0.000) 5.236 3.013 ( 1.828 3.166 0.000) 3.656 3.044 ( 1.542 2.671 0.000) 3.084 3.165 ( -3.182 -5.511 0.000) 6.363 3.600 ( 4.289 7.428 0.000) 8.577 3.789 ( -3.449 -5.974 0.000) 6.898 4.538 ( -0.304 -0.527 0.000) 0.608 6.495 ( 2.375 4.114 0.000) 4.750 6.636 ( -2.815 -4.875 0.000) 5.630 6.828 ( -0.026 -0.044 0.000) 0.051 6.840 ( 1.244 2.155 0.000) 2.488 6.907 ( -1.551 -2.687 0.000) 3.103 7.467 ( -0.753 -1.304 0.000) 1.505 7.557 ( 0.364 0.630 0.000) 0.727 8.544 ( 1.248 2.161 0.000) 2.496 8.597 ( -0.872 -1.511 0.000) 1.745 15.913 ( 0.460 0.797 0.000) 0.920 15.945 ( -0.460 -0.796 0.000) 0.920 16.513 ( -0.144 -0.250 0.000) 0.288 16.945 ( -0.862 -1.493 0.000) 1.724 18.023 ( 6.260 10.842 0.000) 12.520 18.319 ( -5.788 -10.025 0.000) 11.576 ======================= Grid point 109 (15/124) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 0.000 -0.000 14.906) 14.906 0.287 ( 0.000 -0.000 14.906) 14.906 0.629 ( 0.000 0.000 31.878) 31.878 2.001 ( 0.000 0.000 4.939) 4.939 2.481 ( 0.000 0.000 -0.058) 0.058 2.481 ( 0.000 -0.000 -0.058) 0.058 3.029 ( 0.000 0.000 1.554) 1.554 3.437 ( 0.000 -0.000 -2.110) 2.110 3.437 ( 0.000 -0.000 -2.110) 2.110 3.669 ( 0.000 0.000 -0.244) 0.244 3.669 ( 0.000 0.000 -0.244) 0.244 4.280 ( 0.000 0.000 -1.987) 1.987 6.621 ( -0.000 0.000 -2.334) 2.334 6.621 ( 0.000 -0.000 -2.334) 2.334 6.940 ( 0.000 0.000 0.395) 0.395 6.940 ( -0.000 0.000 0.395) 0.395 6.945 ( 0.000 0.000 -5.689) 5.689 7.219 ( 0.000 0.000 -1.156) 1.156 8.040 ( 0.000 0.000 3.404) 3.404 8.470 ( 0.000 -0.000 1.590) 1.590 8.470 ( 0.000 0.000 1.590) 1.590 15.846 ( 0.000 -0.000 0.198) 0.198 15.846 ( 0.000 0.000 0.198) 0.198 16.602 ( 0.000 0.000 -0.169) 0.169 17.489 ( 0.000 -0.000 -1.253) 1.253 17.489 ( -0.000 -0.000 -1.253) 1.253 18.572 ( 0.000 0.000 -0.656) 0.656 ======================= Grid point 110 (16/124) ======================= q-point: ( 0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 15.105 8.721 5.672) 18.341 0.542 ( 6.926 3.999 19.388) 20.973 0.988 ( 28.601 16.513 13.822) 35.801 2.053 ( 4.166 2.405 4.843) 6.826 2.482 ( 0.518 0.299 -0.433) 0.739 2.510 ( 0.520 0.300 1.697) 1.800 2.875 ( -6.183 -3.570 5.451) 8.982 3.141 ( -5.599 -3.233 13.361) 14.843 3.420 ( -4.296 -2.480 2.363) 5.495 3.595 ( -3.938 -2.274 -2.156) 5.032 3.697 ( 4.423 2.554 -3.754) 6.339 4.718 ( 11.075 6.394 -20.974) 24.565 6.586 ( -3.515 -2.029 -1.189) 4.229 6.629 ( 1.446 0.835 -3.922) 4.263 6.899 ( -2.281 -1.317 -5.409) 6.017 6.910 ( -1.759 -1.015 -0.569) 2.109 6.973 ( 1.668 0.963 -0.219) 1.938 7.262 ( 3.261 1.883 -1.101) 3.923 7.939 ( -4.959 -2.863 8.456) 10.212 8.471 ( -0.069 -0.040 1.708) 1.710 8.528 ( 2.406 1.389 -0.297) 2.794 15.842 ( -0.188 -0.108 0.062) 0.225 15.857 ( 0.543 0.314 0.667) 0.915 16.592 ( -0.691 -0.399 -0.275) 0.844 17.496 ( 0.391 0.226 -1.123) 1.211 17.521 ( -1.534 -0.886 1.745) 2.487 18.603 ( 2.425 1.400 -8.137) 8.605 ======================= Grid point 111 (17/124) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 7.709 4.451 16.432) 18.688 0.845 ( 16.690 9.636 0.672) 19.284 1.672 ( 28.133 16.243 5.296) 32.914 2.168 ( 5.035 2.907 4.801) 7.540 2.479 ( -2.245 -1.296 4.289) 5.012 2.507 ( 1.680 0.970 -0.655) 2.048 2.904 ( 6.071 3.505 1.406) 7.150 3.036 ( -4.317 -2.493 8.493) 9.848 3.312 ( -4.223 -2.438 3.859) 6.219 3.510 ( -3.485 -2.012 -2.134) 4.555 3.803 ( 4.183 2.415 -4.182) 6.389 4.782 ( -2.669 -1.541 -12.655) 13.025 6.480 ( -5.116 -2.954 -0.266) 5.913 6.672 ( 1.900 1.097 -6.161) 6.540 6.858 ( -1.257 -0.726 -6.937) 7.087 6.862 ( -2.357 -1.361 -1.212) 2.980 7.011 ( 1.532 0.884 1.038) 2.051 7.349 ( 3.838 2.216 -1.136) 4.575 7.833 ( -4.424 -2.554 8.218) 9.676 8.468 ( -0.206 -0.119 1.706) 1.723 8.575 ( 1.926 1.112 0.704) 2.333 15.839 ( -0.116 -0.067 0.020) 0.135 15.884 ( 1.957 1.130 0.058) 2.261 16.572 ( -0.985 -0.569 -0.311) 1.179 17.415 ( -6.605 -3.813 4.828) 9.027 17.506 ( 0.425 0.245 -1.154) 1.254 18.653 ( 1.561 0.901 -8.306) 8.500 ======================= Grid point 112 (18/124) ======================= q-point: ( 0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 7.824 4.517 12.896) 15.746 1.216 ( 14.895 8.600 -1.544) 17.269 2.206 ( 14.417 8.324 -0.213) 16.649 2.258 ( 2.361 1.363 4.946) 5.648 2.462 ( 3.101 1.790 4.697) 5.906 2.552 ( 1.789 1.033 -0.293) 2.086 2.956 ( -1.535 -0.886 6.285) 6.530 3.071 ( 7.295 4.212 0.125) 8.424 3.243 ( -1.543 -0.891 4.048) 4.423 3.432 ( -3.079 -1.778 0.544) 3.597 3.881 ( 2.459 1.420 -3.730) 4.688 4.665 ( -6.482 -3.742 -8.312) 11.186 6.365 ( -4.533 -2.617 0.024) 5.235 6.706 ( 0.953 0.550 -9.078) 9.145 6.805 ( -2.435 -1.406 -1.293) 3.094 6.839 ( -0.399 -0.231 -7.394) 7.409 7.043 ( 1.231 0.711 2.909) 3.238 7.429 ( 2.933 1.693 -1.180) 3.586 7.733 ( -4.081 -2.356 7.838) 9.146 8.463 ( -0.210 -0.121 1.579) 1.598 8.620 ( 1.915 1.105 1.458) 2.648 15.837 ( 0.012 0.007 0.073) 0.074 15.949 ( 3.617 2.088 -0.600) 4.219 16.549 ( -0.952 -0.549 -0.239) 1.124 17.246 ( -7.444 -4.298 4.606) 9.752 17.514 ( 0.286 0.165 -1.320) 1.361 18.672 ( 0.161 0.093 -6.211) 6.213 ======================= Grid point 113 (19/124) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 5.511 3.182 11.864) 13.463 1.519 ( 10.834 6.255 -2.545) 12.766 2.276 ( -0.689 -0.398 5.597) 5.653 2.308 ( -0.069 -0.040 0.120) 0.144 2.575 ( 0.145 0.083 0.248) 0.299 2.590 ( 2.733 1.578 -0.081) 3.157 3.016 ( 5.840 3.372 5.501) 8.703 3.202 ( 3.059 1.766 -1.843) 3.984 3.236 ( 0.428 0.247 3.140) 3.179 3.382 ( -0.683 -0.394 3.866) 3.946 3.921 ( 1.132 0.654 -2.894) 3.175 4.520 ( -5.060 -2.921 -5.598) 8.092 6.279 ( -2.796 -1.615 -0.131) 3.232 6.714 ( -0.173 -0.100 -11.811) 11.813 6.757 ( -1.513 -0.873 -1.121) 2.076 6.839 ( 0.359 0.207 -6.721) 6.734 7.065 ( 0.559 0.322 3.905) 3.958 7.481 ( 1.512 0.873 -1.195) 2.116 7.652 ( -2.675 -1.545 7.529) 8.139 8.458 ( -0.161 -0.093 1.391) 1.403 8.660 ( 1.456 0.841 2.199) 2.768 15.839 ( 0.115 0.066 0.197) 0.238 16.042 ( 4.018 2.320 -0.503) 4.666 16.531 ( -0.611 -0.353 -0.221) 0.739 17.093 ( -5.144 -2.970 4.377) 7.378 17.518 ( 0.056 0.032 -1.555) 1.556 18.662 ( -0.975 -0.563 -5.397) 5.513 ======================= Grid point 114 (20/124) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.958 0.553 12.602) 12.651 1.689 ( 2.941 1.698 -1.713) 3.804 2.241 ( -1.666 -0.962 5.921) 6.225 2.305 ( 0.115 0.066 -0.190) 0.231 2.573 ( 0.061 0.035 0.122) 0.140 2.606 ( -0.042 -0.024 -0.183) 0.190 3.082 ( -2.246 -1.297 2.487) 3.593 3.203 ( -2.094 -1.209 -3.333) 4.118 3.234 ( -1.075 -0.621 1.929) 2.294 3.403 ( 1.803 1.041 5.094) 5.503 3.941 ( 0.671 0.387 -1.958) 2.106 4.473 ( 1.395 0.805 -3.281) 3.654 6.240 ( -0.449 -0.259 -0.557) 0.761 6.706 ( -0.322 -0.186 -12.552) 12.558 6.741 ( 0.216 0.125 -0.876) 0.910 6.852 ( 0.535 0.309 -6.676) 6.704 7.064 ( -0.719 -0.415 3.903) 3.991 7.498 ( -0.009 -0.005 -1.202) 1.203 7.617 ( -0.177 -0.102 7.331) 7.334 8.455 ( -0.119 -0.069 1.228) 1.236 8.684 ( 0.540 0.312 2.841) 2.908 15.842 ( 0.148 0.085 0.357) 0.396 16.111 ( 1.412 0.815 0.526) 1.714 16.522 ( -0.148 -0.085 -0.361) 0.399 17.036 ( 0.758 0.438 4.855) 4.933 17.517 ( -0.175 -0.101 -1.779) 1.790 18.631 ( -1.631 -0.942 -6.293) 6.569 ======================= Grid point 116 (21/124) ======================= q-point: (-0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -4.092 -2.363 13.932) 14.712 1.628 ( -7.926 -4.576 1.825) 9.333 2.225 ( 0.104 0.060 4.188) 4.190 2.311 ( 0.077 0.044 -1.474) 1.476 2.574 ( -4.777 -2.758 0.777) 5.570 2.582 ( 0.480 0.277 0.012) 0.554 2.934 ( -7.487 -4.323 1.788) 8.828 3.129 ( -4.146 -2.394 -3.439) 5.895 3.183 ( -2.863 -1.653 0.628) 3.365 3.458 ( 3.148 1.817 5.445) 6.547 3.951 ( 0.078 0.045 -1.226) 1.230 4.565 ( 5.581 3.222 -3.619) 7.390 6.259 ( 2.029 1.172 -1.086) 2.583 6.708 ( 0.598 0.345 -11.632) 11.653 6.767 ( 1.904 1.099 -0.648) 2.292 6.850 ( -1.006 -0.581 -6.813) 6.911 7.037 ( -1.329 -0.767 2.892) 3.274 7.481 ( -1.498 -0.865 -1.192) 2.101 7.646 ( 2.596 1.499 7.431) 8.013 8.453 ( -0.049 -0.028 1.148) 1.149 8.683 ( -0.599 -0.346 3.149) 3.224 15.845 ( 0.130 0.075 0.503) 0.525 16.098 ( -2.320 -1.340 1.668) 3.156 16.526 ( 0.555 0.321 -0.465) 0.792 17.130 ( 6.815 3.934 6.327) 10.097 17.511 ( -0.344 -0.199 -1.916) 1.957 18.591 ( -1.730 -0.999 -8.630) 8.859 ======================= Grid point 117 (22/124) ======================= q-point: (-0.30 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -7.501 -4.331 15.585) 17.830 1.360 ( -14.367 -8.295 4.701) 17.243 2.155 ( -18.938 -10.934 -5.350) 22.513 2.216 ( -1.386 -0.800 3.544) 3.888 2.436 ( -0.331 -0.191 7.021) 7.031 2.580 ( -0.957 -0.553 0.431) 1.186 2.849 ( -1.642 -0.948 0.544) 1.973 3.030 ( -3.197 -1.846 -1.120) 3.857 3.135 ( -0.426 -0.246 -1.130) 1.232 3.549 ( 4.411 2.547 5.265) 7.326 3.936 ( -1.500 -0.866 -0.725) 1.878 4.694 ( 5.001 2.887 -7.204) 9.233 6.331 ( 4.087 2.360 -1.611) 4.987 6.734 ( 1.453 0.839 -9.336) 9.485 6.802 ( -2.729 -1.575 -5.729) 6.539 6.823 ( 2.734 1.578 -0.438) 3.187 7.010 ( -0.994 -0.574 0.257) 1.176 7.430 ( -2.874 -1.659 -1.132) 3.506 7.729 ( 4.288 2.475 7.700) 9.154 8.453 ( 0.097 0.056 1.161) 1.166 8.657 ( -1.637 -0.945 2.918) 3.477 15.848 ( 0.092 0.053 0.574) 0.584 16.024 ( -3.646 -2.105 1.988) 4.656 16.546 ( 1.052 0.607 -0.424) 1.287 17.318 ( 8.604 4.967 8.453) 13.044 17.502 ( -0.405 -0.234 -1.910) 1.967 18.555 ( -1.235 -0.713 -11.547) 11.635 ======================= Grid point 118 (23/124) ======================= q-point: (-0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -8.652 -4.995 17.651) 20.282 0.990 ( -17.109 -9.878 6.748) 20.877 1.577 ( -28.366 -16.377 0.726) 32.763 2.151 ( -4.078 -2.354 4.143) 6.271 2.493 ( 3.408 1.967 6.384) 7.499 2.540 ( -2.065 -1.192 0.640) 2.469 2.774 ( -3.479 -2.008 -1.285) 4.217 3.030 ( 2.497 1.442 4.590) 5.421 3.181 ( 4.124 2.381 -2.633) 5.442 3.642 ( 3.062 1.768 3.897) 5.262 3.878 ( -3.540 -2.044 -0.249) 4.095 4.776 ( 1.440 0.831 -13.418) 13.521 6.441 ( 5.134 2.964 -2.110) 6.292 6.713 ( -3.000 -1.732 -2.768) 4.434 6.800 ( 2.612 1.508 -8.013) 8.562 6.885 ( 2.494 1.440 -0.150) 2.883 6.986 ( -1.118 -0.645 -1.811) 2.224 7.350 ( -3.819 -2.205 -1.038) 4.531 7.833 ( 4.511 2.605 8.055) 9.593 8.458 ( 0.262 0.151 1.257) 1.293 8.610 ( -2.374 -1.371 1.937) 3.356 15.850 ( 0.030 0.018 0.530) 0.531 15.942 ( -3.258 -1.881 1.455) 4.033 16.571 ( 1.060 0.612 -0.385) 1.284 17.493 ( -0.322 -0.186 -1.752) 1.791 17.494 ( 5.903 3.408 8.690) 11.044 18.539 ( -0.016 -0.009 -12.868) 12.868 ======================= Grid point 119 (24/124) ======================= q-point: (-0.10 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -10.839 -6.258 15.570) 19.977 0.588 ( -16.840 -9.722 9.668) 21.716 0.917 ( -25.485 -14.714 13.687) 32.455 2.051 ( -3.854 -2.225 4.747) 6.507 2.500 ( -1.264 -0.730 0.333) 1.497 2.513 ( -2.047 -1.182 0.800) 2.495 2.840 ( 11.181 6.455 7.587) 14.974 3.119 ( 6.197 3.578 11.492) 13.537 3.306 ( 6.187 3.572 -3.210) 7.833 3.675 ( -0.342 -0.197 0.360) 0.534 3.776 ( -4.976 -2.873 0.277) 5.753 4.699 ( -10.810 -6.241 -22.084) 25.368 6.556 ( 4.352 2.512 -2.515) 5.619 6.653 ( -1.961 -1.132 -1.804) 2.895 6.875 ( 3.676 2.122 -4.864) 6.455 6.932 ( 1.333 0.769 0.303) 1.568 6.959 ( -1.121 -0.647 -2.307) 2.646 7.263 ( -3.342 -1.930 -1.047) 3.999 7.939 ( 4.890 2.823 8.342) 10.074 8.465 ( 0.302 0.174 1.415) 1.457 8.545 ( -3.405 -1.966 0.068) 3.932 15.849 ( -0.065 -0.037 0.382) 0.389 15.876 ( -2.351 -1.357 0.343) 2.737 16.592 ( 0.718 0.415 -0.286) 0.877 17.488 ( -0.097 -0.056 -1.497) 1.501 17.558 ( -1.091 -0.630 2.389) 2.701 18.556 ( 1.271 0.734 -8.432) 8.559 ======================= Grid point 121 (25/124) ======================= q-point: ( 0.10 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 2.531 8.617 18.343) 20.424 0.823 ( 5.281 21.317 4.010) 22.324 1.442 ( 20.122 26.477 5.114) 33.646 2.132 ( 3.395 4.833 4.688) 7.540 2.500 ( -1.787 -0.488 2.584) 3.179 2.516 ( -0.281 1.239 1.739) 2.154 2.811 ( 5.409 -0.519 2.048) 5.807 3.047 ( -1.957 -4.487 7.021) 8.559 3.275 ( 2.725 -6.429 -0.949) 7.046 3.599 ( -6.615 -0.672 1.589) 6.836 3.824 ( -0.154 6.358 -1.840) 6.621 4.783 ( 0.309 -0.613 -15.046) 15.062 6.513 ( -0.308 -4.525 -2.578) 5.217 6.660 ( -0.852 2.160 -2.524) 3.430 6.832 ( -0.231 -3.747 -6.340) 7.368 6.900 ( -1.428 -1.365 -1.033) 2.229 6.983 ( 1.239 0.417 -1.067) 1.687 7.328 ( 2.319 4.148 -1.102) 4.878 7.861 ( -2.619 -4.477 8.271) 9.763 8.466 ( 0.380 -0.219 1.497) 1.560 8.578 ( 0.003 2.792 1.002) 2.966 15.858 ( 0.826 0.397 -0.034) 0.917 15.882 ( -1.947 2.794 1.089) 3.575 16.578 ( -0.525 -0.992 -0.348) 1.175 17.449 ( -3.794 -4.032 2.865) 6.234 17.545 ( -0.799 1.482 1.615) 2.333 18.587 ( 3.933 -2.015 -10.394) 11.295 ======================= Grid point 122 (26/124) ======================= q-point: ( 0.20 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 5.173 6.883 14.871) 17.184 1.156 ( 8.610 18.992 0.676) 20.864 2.017 ( 18.338 15.848 0.484) 24.242 2.239 ( 3.591 4.084 5.513) 7.743 2.461 ( -1.447 0.298 3.441) 3.745 2.547 ( 1.498 2.393 0.554) 2.877 2.935 ( 5.276 -1.337 2.759) 6.102 2.979 ( 0.887 -0.648 2.913) 3.113 3.256 ( 0.370 -2.458 1.751) 3.040 3.489 ( -4.948 -0.281 0.974) 5.051 3.880 ( 0.505 3.651 -2.279) 4.334 4.713 ( -4.073 -4.884 -9.572) 11.493 6.439 ( -4.472 -1.266 -1.307) 4.828 6.681 ( 1.557 0.106 -5.772) 5.979 6.794 ( 0.044 -3.354 -5.925) 6.809 6.861 ( -1.646 -0.817 -2.797) 3.347 7.005 ( 1.670 -0.996 0.922) 2.152 7.410 ( 2.386 3.509 -1.174) 4.403 7.765 ( -3.266 -4.053 7.935) 9.490 8.471 ( -0.010 0.552 1.657) 1.746 8.607 ( 0.799 1.765 1.434) 2.410 15.864 ( -1.695 2.104 0.069) 2.703 15.903 ( 2.665 0.856 0.322) 2.817 16.556 ( -0.735 -0.996 -0.306) 1.275 17.303 ( -5.759 -6.431 4.876) 9.915 17.562 ( -1.224 4.507 -0.920) 4.760 18.621 ( 2.930 -3.553 -7.876) 9.124 ======================= Grid point 123 (27/124) ======================= q-point: ( 0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 5.763 4.047 12.628) 14.458 1.478 ( 7.394 16.272 -1.253) 17.917 2.236 ( 2.634 -0.786 2.098) 3.458 2.373 ( -0.621 6.050 2.206) 6.469 2.484 ( 4.143 -0.883 1.597) 4.527 2.622 ( 2.288 5.487 0.058) 5.945 2.940 ( 3.392 -0.239 4.711) 5.810 3.108 ( 7.919 0.604 1.414) 8.067 3.246 ( -0.045 -0.368 1.263) 1.316 3.423 ( -3.342 1.585 2.651) 4.551 3.911 ( 0.532 0.783 -2.042) 2.251 4.577 ( -5.228 -4.425 -6.803) 9.654 6.350 ( -5.152 0.980 -0.609) 5.280 6.701 ( 0.985 -0.949 -9.885) 9.979 6.769 ( 0.171 -1.675 -2.869) 3.327 6.829 ( -0.837 -1.095 -5.252) 5.429 7.022 ( 2.144 -2.367 2.883) 4.303 7.475 ( 1.387 2.536 -1.191) 3.126 7.674 ( -2.662 -3.391 7.687) 8.814 8.476 ( -0.648 1.422 1.632) 2.260 8.640 ( 1.437 0.667 1.888) 2.465 15.856 ( -1.274 1.608 0.220) 2.064 15.975 ( 4.547 0.399 -0.240) 4.571 16.535 ( -0.583 -0.827 -0.261) 1.045 17.144 ( -5.242 -5.274 4.561) 8.723 17.586 ( -2.601 6.641 -1.717) 7.336 18.618 ( 2.027 -5.317 -5.801) 8.126 ======================= Grid point 124 (28/124) ======================= q-point: ( 0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 3.628 0.612 12.434) 12.967 1.715 ( 2.432 12.301 -1.931) 12.687 2.256 ( 0.572 0.370 3.904) 3.963 2.351 ( -4.474 2.433 1.684) 5.364 2.502 ( 2.124 -4.665 0.749) 5.181 2.674 ( -1.756 4.902 -0.752) 5.261 3.031 ( 4.847 -2.287 2.552) 5.936 3.209 ( 0.096 -0.903 -2.302) 2.475 3.240 ( 2.425 -0.993 2.653) 3.729 3.409 ( -1.555 3.824 4.680) 6.241 3.922 ( 1.094 -0.950 -1.382) 2.003 4.478 ( -2.002 -0.977 -4.699) 5.200 6.290 ( -3.625 2.648 -0.617) 4.531 6.700 ( 0.319 -0.912 -11.472) 11.513 6.761 ( -0.986 1.006 -1.744) 2.242 6.816 ( 1.607 -2.706 -6.256) 7.003 7.030 ( 1.887 -3.271 3.645) 5.248 7.508 ( 0.040 1.535 -1.208) 1.954 7.614 ( -0.766 -2.117 7.464) 7.796 8.477 ( -1.135 1.831 1.455) 2.600 8.667 ( 1.331 -0.261 2.487) 2.833 15.853 ( -0.740 1.182 0.292) 1.425 16.053 ( 4.259 -1.262 0.151) 4.444 16.521 ( -0.188 -0.558 -0.323) 0.672 17.038 ( -1.876 -2.244 4.578) 5.433 17.602 ( -4.067 8.073 -2.058) 9.271 18.591 ( 1.785 -6.411 -5.504) 8.636 ======================= Grid point 125 (29/124) ======================= q-point: (-0.50 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -0.680 -2.392 13.371) 13.600 1.771 ( -7.285 5.688 0.076) 9.243 2.239 ( -2.558 -0.042 4.848) 5.482 2.334 ( -0.102 3.300 -0.767) 3.389 2.496 ( 2.409 -4.300 0.576) 4.962 2.688 ( -2.754 5.157 0.003) 5.846 2.995 ( -4.016 -5.800 1.155) 7.148 3.142 ( -2.700 -4.845 -2.466) 6.070 3.245 ( -2.486 0.519 0.427) 2.575 3.437 ( 0.826 2.960 5.417) 6.228 3.934 ( 1.437 -1.057 -0.782) 1.948 4.501 ( 3.778 1.545 -3.661) 5.483 6.282 ( -1.279 4.216 -1.044) 4.528 6.701 ( 0.474 -0.139 -11.965) 11.975 6.764 ( 0.009 1.797 -0.798) 1.966 6.817 ( 1.831 -3.982 -6.294) 7.670 7.021 ( 0.895 -3.013 3.099) 4.414 7.507 ( -1.381 0.682 -1.230) 1.971 7.611 ( 1.954 -0.457 7.424) 7.690 8.473 ( -1.268 1.692 1.303) 2.484 8.677 ( 0.519 -0.940 2.926) 3.117 15.854 ( -0.457 1.075 0.364) 1.224 16.078 ( 1.272 -3.701 1.155) 4.080 16.519 ( 0.378 -0.144 -0.448) 0.603 17.050 ( 4.142 0.599 5.168) 6.650 17.605 ( -4.998 8.157 -1.907) 9.755 18.559 ( 1.752 -5.746 -6.949) 9.186 ======================= Grid point 126 (30/124) ======================= q-point: (-0.40 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -5.220 -3.994 14.599) 16.010 1.583 ( -15.931 -0.809 3.280) 16.285 2.202 ( -1.345 -2.101 0.624) 2.571 2.348 ( -5.054 2.027 -1.525) 5.655 2.471 ( -2.286 -1.878 3.352) 4.471 2.633 ( -6.455 0.537 1.201) 6.588 2.880 ( -2.608 0.293 1.623) 3.086 3.035 ( -2.717 -5.531 -1.418) 6.323 3.195 ( -3.553 1.571 -1.147) 4.051 3.495 ( 3.103 1.390 5.181) 6.197 3.942 ( 0.185 -0.869 -0.499) 1.019 4.609 ( 6.345 0.977 -5.372) 8.371 6.328 ( 1.013 5.287 -1.709) 5.647 6.717 ( 1.252 0.599 -10.529) 10.620 6.785 ( 0.276 -4.491 -4.503) 6.366 6.802 ( 1.649 1.056 -1.348) 2.377 7.006 ( 0.236 -1.695 1.067) 2.017 7.474 ( -2.841 0.037 -1.219) 3.091 7.669 ( 4.300 0.778 7.603) 8.769 8.468 ( -1.015 1.248 1.268) 2.049 8.665 ( -0.620 -1.398 2.917) 3.293 15.858 ( -0.458 1.185 0.374) 1.324 16.030 ( -1.351 -4.801 1.799) 5.302 16.532 ( 0.998 0.230 -0.437) 1.114 17.175 ( 8.714 0.593 6.081) 10.643 17.593 ( -4.809 6.524 -1.179) 8.190 18.542 ( 1.355 -2.837 -9.320) 9.836 ======================= Grid point 127 (31/124) ======================= q-point: (-0.30 0.10 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -8.100 -3.995 16.185) 18.535 1.239 ( -19.626 -4.866 4.329) 20.679 1.967 ( -24.381 -4.336 -2.454) 24.885 2.220 ( -4.865 0.639 4.773) 6.845 2.466 ( 0.896 1.796 5.088) 5.470 2.560 ( -2.152 -1.607 0.849) 2.817 2.850 ( -4.171 1.838 -0.513) 4.586 2.986 ( 1.944 -1.412 2.364) 3.370 3.186 ( -0.005 4.099 -1.507) 4.367 3.562 ( 4.396 -1.833 3.964) 6.196 3.914 ( -2.329 -1.427 -0.548) 2.786 4.721 ( 5.442 0.170 -9.372) 10.839 6.415 ( 2.843 4.864 -2.451) 6.144 6.717 ( -1.218 -4.141 -2.928) 5.216 6.765 ( 2.555 0.681 -9.078) 9.455 6.856 ( 2.380 1.353 -0.542) 2.790 6.994 ( -0.357 -0.619 -0.900) 1.149 7.410 ( -4.159 -0.343 -1.157) 4.331 7.764 ( 5.253 0.919 7.858) 9.497 8.464 ( -0.508 0.773 1.341) 1.629 8.629 ( -1.652 -1.618 2.297) 3.259 15.861 ( -0.627 1.190 0.266) 1.371 15.952 ( -1.950 -4.498 1.654) 5.174 16.555 ( 1.264 0.278 -0.382) 1.349 17.334 ( 9.160 -1.320 5.927) 10.990 17.571 ( -3.277 3.293 0.129) 4.647 18.551 ( 0.577 1.457 -11.006) 11.117 ======================= Grid point 132 (32/124) ======================= q-point: ( 0.20 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 1.984 6.062 14.277) 15.637 1.545 ( 6.774 18.714 1.820) 19.986 2.187 ( 2.821 2.108 -0.728) 3.596 2.369 ( 5.315 6.024 2.206) 8.331 2.487 ( 0.036 1.240 2.151) 2.483 2.615 ( 3.192 5.627 1.682) 6.684 2.924 ( 0.409 1.393 0.625) 1.581 2.978 ( 4.702 -0.097 2.556) 5.353 3.227 ( 1.608 -0.138 -0.924) 1.860 3.492 ( -2.209 0.346 3.646) 4.277 3.921 ( -0.930 0.343 -0.308) 1.038 4.608 ( -3.915 -5.080 -6.922) 9.437 6.416 ( 0.284 -1.315 -2.365) 2.721 6.688 ( -2.032 0.752 -4.640) 5.121 6.736 ( 0.234 -2.283 -8.444) 8.751 6.832 ( -0.138 -1.796 -1.135) 2.129 6.986 ( -0.407 -0.881 0.312) 1.020 7.476 ( 1.666 2.791 -1.232) 3.477 7.678 ( -2.355 -4.334 7.737) 9.175 8.488 ( 1.046 1.078 1.628) 2.215 8.638 ( -0.359 1.148 2.200) 2.507 15.890 ( 1.395 0.100 -0.323) 1.436 15.939 ( -1.669 2.793 1.528) 3.595 16.535 ( -0.500 -1.047 -0.357) 1.214 17.170 ( -4.725 -6.547 5.108) 9.554 17.669 ( 2.512 5.732 -1.296) 6.392 18.531 ( 0.222 -4.885 -7.706) 9.126 ======================= Grid point 133 (33/124) ======================= q-point: ( 0.30 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 2.513 2.033 13.220) 13.610 1.822 ( 3.548 16.767 -0.118) 17.139 2.237 ( 2.261 1.359 1.687) 3.131 2.418 ( 0.780 -4.072 1.361) 4.364 2.476 ( -3.719 2.959 1.682) 5.041 2.732 ( 2.125 4.406 -0.524) 4.919 2.940 ( 1.191 0.445 1.122) 1.696 3.100 ( 8.478 -1.955 2.270) 8.992 3.222 ( -1.492 -1.454 -0.676) 2.190 3.499 ( -0.876 5.677 3.963) 6.979 3.893 ( -0.508 -2.702 0.247) 2.761 4.508 ( -2.798 -2.224 -5.799) 6.812 6.396 ( -3.414 3.287 -1.560) 4.989 6.673 ( 1.075 -1.985 -8.008) 8.320 6.726 ( 1.410 -2.719 -7.062) 7.697 6.814 ( -1.069 0.252 -1.534) 1.886 6.968 ( 0.680 -2.768 1.668) 3.303 7.519 ( 0.651 1.733 -1.240) 2.228 7.605 ( -1.400 -3.107 7.638) 8.364 8.515 ( -0.170 2.376 1.813) 2.993 8.642 ( 0.568 -0.486 2.215) 2.338 15.891 ( -1.604 1.600 0.232) 2.277 15.969 ( 3.145 -0.764 0.558) 3.284 16.518 ( -0.301 -0.735 -0.373) 0.878 17.049 ( -2.816 -3.920 4.708) 6.742 17.764 ( -1.372 10.674 -2.498) 11.048 18.470 ( 1.322 -9.108 -5.520) 10.732 ======================= Grid point 134 (34/124) ======================= q-point: ( 0.40 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 1.119 -1.102 13.262) 13.355 1.967 ( -4.377 11.427 -0.646) 12.253 2.289 ( -0.513 1.844 5.197) 5.538 2.362 ( -0.429 -3.950 -0.942) 4.083 2.445 ( -1.560 3.038 1.054) 3.574 2.775 ( -0.652 2.468 -0.385) 2.581 2.955 ( 1.255 -2.276 0.307) 2.617 3.143 ( -3.524 -5.031 -0.778) 6.192 3.206 ( 5.581 -2.203 1.266) 6.132 3.531 ( -4.170 7.210 4.091) 9.279 3.874 ( 2.654 -3.767 0.761) 4.671 4.478 ( 0.285 0.504 -5.040) 5.073 6.377 ( -3.563 5.660 -1.414) 6.836 6.682 ( 1.871 -1.654 -9.712) 10.028 6.721 ( 2.248 -4.914 -6.768) 8.661 6.802 ( -1.676 2.252 -0.822) 2.924 6.960 ( 1.995 -3.307 1.982) 4.341 7.533 ( -0.493 0.771 -1.066) 1.405 7.576 ( 0.723 -1.390 7.386) 7.550 8.524 ( -1.758 2.658 1.698) 3.611 8.649 ( 1.260 -1.497 2.513) 3.185 15.883 ( -1.169 1.739 0.311) 2.118 16.004 ( 2.612 -3.123 0.722) 4.135 16.511 ( 0.140 -0.348 -0.442) 0.580 17.005 ( 0.842 -1.093 4.770) 4.966 17.816 ( -6.476 12.098 -2.769) 13.999 18.419 ( 4.642 -10.020 -5.356) 12.273 ======================= Grid point 136 (35/124) ======================= q-point: (-0.50 0.20 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -2.295 -2.157 13.817) 14.172 1.866 ( -14.784 1.998 1.666) 15.011 2.225 ( -3.118 -0.588 1.605) 3.556 2.390 ( 2.228 0.275 -0.188) 2.253 2.479 ( 0.156 3.639 1.472) 3.929 2.745 ( -4.509 -1.356 0.422) 4.728 2.946 ( -2.558 3.482 1.682) 4.636 3.025 ( -2.561 -5.775 -1.370) 6.465 3.239 ( 0.095 -0.868 -0.174) 0.891 3.507 ( -3.099 2.655 4.496) 6.072 3.903 ( 3.003 -1.660 0.591) 3.482 4.520 ( 3.907 0.206 -5.211) 6.516 6.388 ( -1.531 5.046 -1.993) 5.637 6.702 ( 1.728 -0.912 -8.201) 8.430 6.707 ( 1.665 -4.342 -7.339) 8.688 6.804 ( -0.211 1.802 -0.245) 1.831 6.969 ( 1.888 -1.796 0.956) 2.776 7.518 ( -1.844 0.358 -1.262) 2.263 7.603 ( 3.298 -0.177 7.613) 8.298 8.511 ( -2.103 1.594 1.601) 3.086 8.651 ( 0.553 -1.372 2.599) 2.991 15.885 ( -0.753 1.937 0.114) 2.081 15.991 ( 0.211 -4.216 1.309) 4.420 16.517 ( 0.730 0.006 -0.439) 0.852 17.055 ( 5.247 -0.055 4.992) 7.242 17.775 ( -8.391 6.060 -1.985) 10.539 18.444 ( 5.975 -3.795 -6.731) 9.767 ======================= Grid point 144 (36/124) ======================= q-point: ( 0.30 0.30 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 0.058 0.334 13.459) 13.463 2.102 ( 4.589 9.854 0.240) 10.873 2.274 ( 0.013 -0.405 0.585) 0.711 2.321 ( -1.075 -2.900 3.847) 4.936 2.544 ( 2.657 4.209 -0.145) 4.980 2.719 ( -2.805 -4.876 -0.616) 5.659 3.021 ( -3.308 7.281 -0.012) 7.997 3.051 ( 8.345 -2.219 1.048) 8.698 3.166 ( -4.456 -4.561 0.354) 6.387 3.634 ( 4.067 6.776 3.294) 8.562 3.807 ( -3.291 -5.273 1.849) 6.485 4.483 ( -0.448 -0.512 -5.586) 5.628 6.472 ( 2.439 3.865 -2.180) 5.063 6.603 ( -2.808 -4.210 -3.146) 5.958 6.693 ( -0.102 -0.490 -12.025) 12.035 6.841 ( 1.401 2.052 -0.025) 2.485 6.913 ( -1.656 -2.586 0.660) 3.141 7.538 ( 0.054 0.050 0.413) 0.419 7.564 ( -0.404 -0.723 5.987) 6.044 8.564 ( 1.442 2.202 1.979) 3.293 8.621 ( -1.079 -1.495 2.280) 2.933 15.916 ( 0.821 0.849 0.288) 1.216 15.952 ( -0.968 -0.805 0.742) 1.461 16.508 ( -0.142 -0.274 -0.461) 0.554 16.993 ( -0.908 -1.485 4.780) 5.087 17.989 ( 5.629 10.490 -3.337) 12.364 18.271 ( -4.998 -9.679 -4.799) 11.904 ======================= Grid point 218 (37/124) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 0.000 0.000 15.171) 15.171 0.580 ( 0.000 0.000 15.171) 15.171 1.228 ( 0.000 0.000 29.566) 29.566 2.131 ( 0.000 0.000 7.954) 7.954 2.475 ( 0.000 -0.000 -0.765) 0.765 2.475 ( 0.000 0.000 -0.765) 0.765 3.071 ( 0.000 0.000 2.721) 2.721 3.381 ( 0.000 0.000 -3.497) 3.497 3.381 ( 0.000 0.000 -3.497) 3.497 3.661 ( 0.000 0.000 -0.545) 0.545 3.661 ( 0.000 0.000 -0.545) 0.545 4.221 ( 0.000 0.000 -4.140) 4.140 6.562 ( 0.000 -0.000 -3.460) 3.460 6.562 ( 0.000 0.000 -3.460) 3.460 6.805 ( 0.000 0.000 -8.146) 8.146 6.948 ( 0.000 0.000 0.352) 0.352 6.948 ( -0.000 -0.000 0.352) 0.352 7.188 ( 0.000 0.000 -1.997) 1.997 8.119 ( 0.000 0.000 4.299) 4.299 8.512 ( 0.000 -0.000 2.543) 2.543 8.512 ( 0.000 0.000 2.543) 2.543 15.852 ( 0.000 -0.000 0.347) 0.347 15.852 ( 0.000 0.000 0.347) 0.347 16.598 ( 0.000 0.000 -0.275) 0.275 17.455 ( 0.000 0.000 -2.121) 2.121 17.455 ( 0.000 0.000 -2.121) 2.121 18.554 ( 0.000 0.000 -1.097) 1.097 ======================= Grid point 219 (38/124) ======================= q-point: ( 0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 8.648 4.993 11.614) 15.317 0.870 ( 13.236 7.642 14.458) 21.039 1.356 ( 13.068 7.545 22.587) 27.164 2.180 ( 3.988 2.302 7.822) 9.077 2.472 ( 0.392 0.226 -0.768) 0.891 2.522 ( 2.517 1.453 -0.395) 2.933 2.943 ( -5.976 -3.450 2.829) 7.458 3.323 ( -1.576 -0.910 4.330) 4.697 3.452 ( -0.859 -0.496 0.646) 1.184 3.576 ( -7.044 -4.067 0.355) 8.141 3.616 ( 1.844 1.065 -4.041) 4.568 4.396 ( 8.970 5.179 -12.660) 16.357 6.540 ( -0.788 -0.455 -4.893) 4.977 6.548 ( -2.394 -1.382 -2.606) 3.799 6.763 ( -2.678 -1.546 -7.731) 8.327 6.900 ( -2.721 -1.571 -0.478) 3.179 6.983 ( 2.060 1.189 0.581) 2.448 7.233 ( 3.313 1.913 -1.836) 4.243 8.074 ( -3.286 -1.897 5.709) 6.855 8.514 ( -0.055 -0.032 2.564) 2.564 8.547 ( 2.472 1.427 1.980) 3.474 15.846 ( -0.231 -0.133 0.295) 0.397 15.872 ( 1.025 0.592 0.774) 1.414 16.586 ( -0.810 -0.468 -0.320) 0.989 17.464 ( 0.374 0.216 -2.111) 2.154 17.522 ( 3.328 1.921 -1.446) 4.106 18.493 ( -3.276 -1.891 -3.508) 5.159 ======================= Grid point 220 (39/124) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 13.244 7.647 5.847) 16.373 1.070 ( 5.899 3.406 19.440) 20.599 1.807 ( 22.022 12.714 8.479) 26.805 2.289 ( 4.620 2.667 7.141) 8.913 2.499 ( 2.129 1.229 -0.152) 2.464 2.541 ( -0.972 -0.561 1.741) 2.072 2.928 ( 4.315 2.491 1.522) 5.210 3.213 ( -6.885 -3.975 8.185) 11.410 3.387 ( -3.277 -1.892 3.803) 5.365 3.485 ( -1.223 -0.706 -0.470) 1.488 3.702 ( 4.134 2.387 -6.163) 7.795 4.509 ( 0.840 0.485 -14.049) 14.082 6.464 ( -4.402 -2.542 -1.307) 5.249 6.516 ( -1.414 -0.816 -9.046) 9.192 6.715 ( -1.150 -0.664 -6.946) 7.072 6.836 ( -2.783 -1.607 -1.483) 3.539 7.038 ( 2.505 1.446 1.217) 3.138 7.319 ( 3.761 2.172 -1.870) 4.729 7.985 ( -4.239 -2.448 6.831) 8.404 8.510 ( -0.295 -0.170 2.479) 2.502 8.607 ( 2.626 1.516 2.444) 3.895 15.842 ( -0.086 -0.050 0.322) 0.337 15.900 ( 1.644 0.949 1.321) 2.312 16.565 ( -0.995 -0.574 -0.438) 1.229 17.471 ( 0.275 0.159 -2.282) 2.304 17.513 ( -4.301 -2.483 4.315) 6.579 18.465 ( 0.811 0.468 -9.502) 9.548 ======================= Grid point 221 (40/124) ======================= q-point: ( 0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 5.946 3.433 18.025) 19.288 1.219 ( 12.886 7.439 1.934) 15.004 2.236 ( 12.261 7.079 2.919) 14.456 2.367 ( 2.002 1.156 5.378) 5.853 2.521 ( 0.567 0.328 1.582) 1.712 2.565 ( 2.884 1.665 2.072) 3.922 3.069 ( 6.392 3.691 0.178) 7.383 3.089 ( -2.455 -1.417 6.297) 6.906 3.328 ( -1.672 -0.966 4.557) 4.949 3.470 ( -0.405 -0.234 2.852) 2.890 3.786 ( 3.036 1.753 -5.955) 6.911 4.467 ( -3.588 -2.071 -11.240) 11.979 6.360 ( -4.347 -2.510 -0.565) 5.052 6.477 ( -1.782 -1.029 -13.052) 13.213 6.705 ( 0.034 0.020 -6.379) 6.380 6.774 ( -2.436 -1.406 -1.852) 3.368 7.092 ( 2.042 1.179 1.988) 3.085 7.397 ( 2.877 1.661 -1.997) 3.876 7.885 ( -4.156 -2.399 7.183) 8.639 8.502 ( -0.370 -0.214 2.308) 2.347 8.668 ( 2.562 1.479 3.239) 4.387 15.842 ( 0.094 0.054 0.402) 0.416 15.956 ( 3.246 1.874 1.137) 3.917 16.542 ( -0.914 -0.527 -0.458) 1.150 17.364 ( -7.453 -4.303 6.828) 10.986 17.476 ( 0.070 0.040 -2.557) 2.558 18.498 ( 1.295 0.748 -10.754) 10.858 ======================= Grid point 222 (41/124) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 5.448 3.145 16.730) 17.874 1.488 ( 9.932 5.734 -0.507) 11.479 2.338 ( -0.442 -0.255 3.058) 3.100 2.391 ( 0.216 0.125 5.174) 5.180 2.574 ( 2.059 1.189 -1.297) 2.708 2.602 ( 0.149 0.086 3.294) 3.298 3.107 ( 2.240 1.293 2.205) 3.399 3.181 ( 2.716 1.568 0.745) 3.223 3.307 ( -0.414 -0.239 4.104) 4.131 3.470 ( 0.607 0.350 4.679) 4.731 3.844 ( 2.032 1.173 -4.982) 5.507 4.386 ( -2.402 -1.387 -7.724) 8.207 6.273 ( -2.968 -1.714 -0.417) 3.453 6.441 ( -1.256 -0.725 -15.059) 15.129 6.710 ( 0.344 0.199 -6.528) 6.540 6.728 ( -1.346 -0.777 -1.798) 2.376 7.127 ( 0.819 0.473 2.496) 2.669 7.448 ( 1.492 0.862 -2.071) 2.694 7.802 ( -2.796 -1.614 7.245) 7.932 8.494 ( -0.316 -0.183 2.118) 2.149 8.722 ( 1.990 1.149 3.880) 4.509 15.846 ( 0.225 0.130 0.505) 0.567 16.046 ( 4.133 2.386 0.751) 4.831 16.524 ( -0.655 -0.378 -0.455) 0.882 17.209 ( -5.113 -2.952 7.058) 9.202 17.475 ( -0.152 -0.088 -2.830) 2.836 18.507 ( -0.632 -0.365 -9.901) 9.927 ======================= Grid point 223 (42/124) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 2.012 1.162 17.411) 17.565 1.658 ( 4.080 2.355 -1.233) 4.870 2.314 ( -1.034 -0.597 1.395) 1.836 2.378 ( -1.202 -0.694 7.016) 7.152 2.587 ( -0.863 -0.498 1.977) 2.214 2.603 ( 0.872 0.504 -0.015) 1.007 3.101 ( -3.331 -1.923 -1.394) 4.091 3.178 ( -3.101 -1.790 0.692) 3.647 3.285 ( -1.977 -1.141 3.162) 3.900 3.502 ( 2.141 1.236 5.184) 5.743 3.885 ( 1.500 0.866 -3.761) 4.141 4.385 ( 2.183 1.260 -5.575) 6.119 6.228 ( -0.811 -0.468 -0.641) 1.135 6.425 ( -0.001 -0.000 -15.367) 15.367 6.717 ( 0.398 0.230 -1.616) 1.680 6.718 ( 0.211 0.122 -6.877) 6.882 7.126 ( -0.918 -0.530 2.614) 2.820 7.466 ( -0.004 -0.003 -2.084) 2.084 7.766 ( -0.159 -0.092 7.288) 7.290 8.487 ( -0.200 -0.116 1.998) 2.011 8.755 ( 0.808 0.466 4.207) 4.310 15.852 ( 0.259 0.150 0.609) 0.679 16.124 ( 2.045 1.181 0.712) 2.466 16.512 ( -0.285 -0.165 -0.547) 0.639 17.161 ( 1.506 0.870 7.475) 7.675 17.469 ( -0.307 -0.177 -3.014) 3.035 18.467 ( -2.713 -1.566 -9.933) 10.415 ======================= Grid point 225 (43/124) ======================= q-point: (-0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -3.053 -1.763 18.695) 19.025 1.652 ( -4.846 -2.798 0.836) 5.658 2.282 ( -2.794 -1.613 -0.971) 3.369 2.349 ( -1.013 -0.585 7.781) 7.868 2.578 ( 0.097 0.056 -0.024) 0.115 2.605 ( -1.409 -0.813 2.288) 2.807 2.975 ( -5.706 -3.294 1.685) 6.801 3.077 ( -4.657 -2.689 -1.967) 5.726 3.212 ( -3.969 -2.292 2.195) 5.082 3.565 ( 3.300 1.905 5.457) 6.656 3.910 ( 0.582 0.336 -2.882) 2.959 4.456 ( 3.184 1.838 -7.217) 8.099 6.237 ( 1.591 0.919 -1.059) 2.121 6.445 ( 1.830 1.057 -14.382) 14.536 6.715 ( -0.561 -0.324 -6.782) 6.813 6.746 ( 2.057 1.187 -1.454) 2.785 7.087 ( -2.280 -1.316 2.276) 3.481 7.448 ( -1.455 -0.840 -2.042) 2.644 7.796 ( 2.694 1.555 7.334) 7.966 8.485 ( -0.035 -0.020 1.999) 2.000 8.756 ( -0.740 -0.427 4.094) 4.182 15.857 ( 0.202 0.117 0.685) 0.724 16.124 ( -1.958 -1.130 0.934) 2.446 16.515 ( 0.562 0.324 -0.617) 0.895 17.283 ( 8.516 4.917 8.814) 13.205 17.461 ( -0.351 -0.203 -3.045) 3.072 18.387 ( -4.057 -2.342 -11.649) 12.556 ======================= Grid point 226 (44/124) ======================= q-point: (-0.30 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -6.800 -3.926 19.016) 20.573 1.449 ( -11.888 -6.863 4.454) 14.431 2.089 ( -14.906 -8.606 -0.863) 17.233 2.325 ( -1.473 -0.850 7.190) 7.388 2.572 ( 0.467 0.270 6.425) 6.448 2.577 ( -0.676 -0.390 -0.724) 1.064 2.869 ( -5.080 -2.933 1.005) 5.952 3.024 ( 1.686 0.973 0.447) 1.997 3.132 ( -2.083 -1.202 0.707) 2.506 3.650 ( 3.651 2.108 4.846) 6.423 3.905 ( -1.140 -0.658 -2.389) 2.728 4.505 ( 0.708 0.409 -11.444) 11.473 6.299 ( 3.597 2.077 -1.621) 4.458 6.511 ( 3.764 2.173 -12.413) 13.152 6.689 ( -1.598 -0.923 -5.691) 5.983 6.806 ( 2.926 1.690 -1.278) 3.613 7.029 ( -2.506 -1.447 1.397) 3.214 7.399 ( -2.777 -1.603 -1.933) 3.744 7.881 ( 4.294 2.479 7.222) 8.760 8.486 ( 0.187 0.108 2.111) 2.122 8.721 ( -2.276 -1.314 3.478) 4.359 15.861 ( 0.083 0.048 0.692) 0.699 16.051 ( -3.883 -2.242 0.820) 4.558 16.536 ( 1.112 0.642 -0.550) 1.397 17.454 ( -0.273 -0.158 -2.901) 2.918 17.511 ( 9.767 5.639 10.603) 15.480 18.296 ( -3.127 -1.805 -14.210) 14.662 ======================= Grid point 227 (45/124) ======================= q-point: (-0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -10.496 -6.060 16.184) 20.219 1.133 ( -14.677 -8.474 7.905) 18.701 1.665 ( -19.041 -10.993 9.150) 23.815 2.267 ( -3.571 -2.062 7.430) 8.498 2.541 ( -2.088 -1.206 -0.720) 2.516 2.596 ( -1.287 -0.743 3.168) 3.499 2.786 ( 1.351 0.780 2.628) 3.056 3.129 ( 6.534 3.773 4.996) 9.050 3.141 ( 2.868 1.656 -1.344) 3.574 3.706 ( 0.416 0.240 2.391) 2.438 3.856 ( -3.066 -1.770 -1.891) 4.014 4.482 ( -2.850 -1.645 -15.271) 15.622 6.396 ( 4.589 2.649 -2.346) 5.795 6.614 ( 4.327 2.498 -10.344) 11.487 6.648 ( -1.116 -0.645 -3.701) 3.919 6.875 ( 2.865 1.654 -0.931) 3.437 6.977 ( -1.907 -1.101 0.415) 2.241 7.322 ( -3.735 -2.156 -1.784) 4.667 7.983 ( 4.324 2.497 6.822) 8.454 8.493 ( 0.394 0.228 2.277) 2.322 8.653 ( -3.480 -2.009 2.473) 4.718 15.861 ( -0.067 -0.039 0.609) 0.614 15.958 ( -3.906 -2.255 0.353) 4.525 16.563 ( 1.133 0.654 -0.450) 1.384 17.449 ( -0.092 -0.053 -2.623) 2.625 17.652 ( 0.689 0.398 6.132) 6.183 18.296 ( 4.246 2.452 -10.603) 11.682 ======================= Grid point 228 (46/124) ======================= q-point: (-0.10 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -16.178 -9.340 11.021) 21.690 0.800 ( -13.182 -7.611 11.786) 19.251 1.325 ( -8.934 -5.158 24.717) 26.784 2.177 ( -3.561 -2.056 7.827) 8.841 2.498 ( -1.443 -0.833 -0.737) 1.822 2.512 ( -3.632 -2.097 -0.619) 4.240 2.938 ( 8.794 5.077 3.860) 10.864 3.246 ( 5.621 3.245 -2.918) 7.116 3.320 ( 9.772 5.642 7.801) 13.718 3.649 ( -4.858 -2.805 -3.003) 6.362 3.767 ( -4.424 -2.554 -1.137) 5.234 4.363 ( -7.381 -4.261 -12.857) 15.425 6.499 ( 3.935 2.272 -3.138) 5.522 6.597 ( -1.750 -1.010 -3.865) 4.361 6.743 ( 4.797 2.770 -7.703) 9.488 6.932 ( 1.912 1.104 -0.237) 2.220 6.945 ( -0.695 -0.401 0.155) 0.818 7.235 ( -3.466 -2.001 -1.785) 4.382 8.074 ( 3.320 1.917 5.732) 6.896 8.503 ( 0.438 0.253 2.436) 2.488 8.566 ( -3.704 -2.139 1.925) 4.690 15.858 ( -0.205 -0.118 0.470) 0.527 15.880 ( -2.613 -1.509 0.126) 3.020 16.586 ( 0.851 0.491 -0.315) 1.032 17.450 ( 0.136 0.079 -2.319) 2.325 17.558 ( -6.643 -3.835 -1.840) 7.888 18.457 ( 7.472 4.314 -2.611) 9.014 ======================= Grid point 230 (47/124) ======================= q-point: ( 0.10 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 1.634 19.730 7.325) 21.109 1.043 ( 4.023 8.920 17.554) 20.097 1.609 ( 15.580 16.639 12.150) 25.831 2.256 ( 3.544 4.704 7.684) 9.681 2.500 ( -0.937 2.100 -0.749) 2.419 2.564 ( -0.334 2.352 1.192) 2.658 2.862 ( 3.110 -3.352 3.107) 5.528 3.193 ( -1.582 -10.502 6.625) 12.517 3.256 ( 5.895 -6.146 -0.637) 8.540 3.631 ( -7.319 1.626 1.343) 7.617 3.773 ( -2.567 8.974 -3.210) 9.871 4.476 ( 3.133 2.172 -14.970) 15.448 6.452 ( -0.048 -4.906 -3.632) 6.105 6.584 ( -3.607 1.693 -5.356) 6.676 6.688 ( 0.509 -4.897 -7.043) 8.593 6.877 ( -2.705 -1.202 -1.148) 3.175 6.987 ( 2.803 -0.149 0.658) 2.883 7.299 ( 2.210 4.109 -1.807) 5.004 8.010 ( -2.351 -4.173 6.636) 8.184 8.506 ( 0.609 -0.382 2.441) 2.544 8.610 ( 0.155 3.832 2.199) 4.421 15.860 ( -0.187 0.780 0.207) 0.828 15.903 ( -0.773 2.851 1.013) 3.123 16.570 ( -0.544 -1.077 -0.417) 1.276 17.451 ( 0.130 -0.964 -1.733) 1.987 17.600 ( -3.216 3.539 2.238) 5.280 18.396 ( 3.030 -6.297 -7.932) 10.571 ======================= Grid point 231 (48/124) ======================= q-point: ( 0.20 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 2.873 6.904 17.977) 19.470 1.200 ( 5.708 17.961 4.693) 19.422 2.056 ( 16.255 10.479 3.581) 19.668 2.369 ( 3.154 5.106 7.393) 9.522 2.499 ( -0.574 -0.312 0.546) 0.852 2.574 ( 0.266 2.948 1.957) 3.549 2.964 ( 7.726 0.195 1.026) 7.797 3.076 ( -1.356 -5.462 5.656) 7.979 3.288 ( 3.922 -5.202 1.413) 6.666 3.527 ( -5.654 2.500 2.566) 6.694 3.826 ( -1.174 6.758 -3.166) 7.554 4.484 ( -1.427 -2.623 -12.967) 13.306 6.396 ( -1.784 -3.121 -3.539) 5.044 6.519 ( -4.126 -0.045 -9.346) 10.216 6.670 ( 1.639 -3.033 -5.777) 6.727 6.820 ( -2.955 -0.380 -1.816) 3.489 7.034 ( 3.357 -1.369 1.433) 3.898 7.379 ( 2.333 3.432 -1.951) 4.585 7.918 ( -3.238 -4.030 7.136) 8.812 8.513 ( 0.017 0.572 2.465) 2.530 8.651 ( 1.044 2.423 2.880) 3.906 15.863 ( -0.945 1.646 0.010) 1.898 15.926 ( 1.319 1.692 1.661) 2.713 16.548 ( -0.686 -1.034 -0.483) 1.331 17.400 ( -3.498 -5.028 3.443) 7.027 17.553 ( -4.221 3.886 0.778) 5.790 18.424 ( 4.795 -3.877 -11.165) 12.754 ======================= Grid point 232 (49/124) ======================= q-point: ( 0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 4.251 4.390 17.347) 18.392 1.476 ( 5.186 16.564 1.143) 17.395 2.283 ( 4.838 -0.899 3.052) 5.791 2.453 ( -2.227 5.500 4.125) 7.227 2.508 ( 3.870 -0.835 1.796) 4.348 2.626 ( 0.785 3.661 1.004) 3.876 3.023 ( 4.015 -3.889 2.805) 6.254 3.130 ( 5.755 2.279 1.455) 6.358 3.291 ( 1.748 -3.361 2.924) 4.786 3.491 ( -2.121 3.303 3.964) 5.579 3.863 ( -0.788 4.001 -2.869) 4.986 4.408 ( -2.749 -3.328 -10.001) 10.893 6.329 ( -3.667 -0.218 -1.666) 4.034 6.457 ( -2.117 -1.132 -13.498) 13.709 6.675 ( 1.926 -2.418 -5.748) 6.526 6.770 ( -2.761 0.511 -2.009) 3.452 7.072 ( 3.271 -2.783 2.082) 4.773 7.442 ( 1.376 2.485 -2.051) 3.503 7.826 ( -2.786 -3.369 7.301) 8.510 8.516 ( -0.917 1.621 2.375) 3.018 8.695 ( 1.933 0.965 3.528) 4.137 15.862 ( -1.040 1.580 0.306) 1.916 15.986 ( 3.861 0.884 1.200) 4.138 16.527 ( -0.542 -0.912 -0.492) 1.169 17.260 ( -5.136 -5.126 6.717) 9.889 17.542 ( -3.252 5.925 -2.524) 7.215 18.454 ( 3.305 -4.764 -10.281) 11.804 ======================= Grid point 233 (50/124) ======================= q-point: ( 0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 3.769 1.571 17.116) 17.596 1.689 ( 1.544 13.054 -0.531) 13.155 2.314 ( 1.196 -0.203 2.647) 2.912 2.430 ( -3.860 1.980 4.518) 6.263 2.531 ( 1.116 -3.774 3.190) 5.066 2.662 ( -1.129 4.727 -0.208) 4.864 3.056 ( 3.284 -5.393 -0.450) 6.330 3.193 ( -0.545 -0.870 0.501) 1.142 3.294 ( 1.605 -2.084 2.787) 3.832 3.508 ( -0.699 4.380 5.343) 6.944 3.885 ( 0.141 1.865 -2.498) 3.120 4.359 ( 0.453 -1.229 -7.234) 7.351 6.274 ( -3.354 1.899 -0.909) 3.960 6.425 ( -0.431 -0.723 -15.239) 15.263 6.685 ( 1.933 -2.334 -6.236) 6.933 6.739 ( -1.689 1.417 -1.737) 2.807 7.087 ( 2.295 -3.882 2.366) 5.093 7.475 ( 0.044 1.496 -2.088) 2.569 7.764 ( -0.891 -2.002 7.350) 7.670 8.514 ( -1.457 2.082 2.240) 3.387 8.732 ( 1.805 -0.201 3.990) 4.384 15.861 ( -0.625 1.206 0.507) 1.450 16.064 ( 4.362 -0.764 0.841) 4.508 16.512 ( -0.237 -0.710 -0.547) 0.927 17.158 ( -1.681 -1.951 7.277) 7.719 17.548 ( -3.811 7.191 -3.412) 8.825 18.440 ( 1.370 -6.085 -9.436) 11.312 ======================= Grid point 234 (51/124) ======================= q-point: (-0.50 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 0.147 -1.610 18.252) 18.323 1.767 ( -5.227 7.549 -0.239) 9.185 2.311 ( -3.518 -0.985 0.592) 3.701 2.384 ( -0.969 1.845 7.058) 7.359 2.514 ( 1.906 -3.467 1.742) 4.322 2.689 ( -2.045 5.507 0.249) 5.880 3.006 ( -2.029 -5.831 -0.695) 6.213 3.112 ( -4.196 -4.690 -0.504) 6.314 3.272 ( -2.921 -0.699 2.055) 3.639 3.547 ( 0.786 3.252 5.786) 6.684 3.907 ( 0.703 0.995 -2.070) 2.402 4.396 ( 3.933 -0.344 -6.853) 7.909 6.258 ( -1.435 3.213 -1.370) 3.776 6.429 ( 1.058 0.530 -14.831) 14.878 6.690 ( 1.466 -2.862 -6.497) 7.250 6.744 ( 0.109 2.232 -1.342) 2.607 7.072 ( 0.697 -4.143 2.219) 4.751 7.474 ( -1.354 0.639 -2.087) 2.568 7.761 ( 1.941 -0.281 7.401) 7.656 8.508 ( -1.492 1.975 2.176) 3.296 8.748 ( 0.705 -1.141 4.098) 4.312 15.864 ( -0.350 0.990 0.596) 1.208 16.100 ( 1.749 -3.327 0.960) 3.880 16.508 ( 0.351 -0.204 -0.635) 0.754 17.179 ( 4.879 0.554 7.646) 9.087 17.554 ( -4.188 8.101 -3.139) 9.644 18.386 ( -0.319 -5.949 -10.191) 11.804 ======================= Grid point 235 (52/124) ======================= q-point: (-0.40 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -4.387 -3.739 18.958) 19.815 1.643 ( -13.535 0.445 2.860) 13.841 2.197 ( -5.788 -4.845 -0.487) 7.564 2.393 ( -3.117 3.347 5.420) 7.092 2.526 ( 1.627 -0.812 2.358) 2.978 2.664 ( -5.430 1.878 1.956) 6.069 2.919 ( -3.224 -1.084 1.934) 3.912 3.010 ( -1.007 -2.851 -1.323) 3.300 3.196 ( -4.595 0.445 1.259) 4.785 3.599 ( 2.608 0.690 5.234) 5.888 3.921 ( -0.347 0.568 -1.577) 1.711 4.459 ( 3.726 -1.397 -9.618) 10.409 6.288 ( 0.917 3.637 -2.417) 4.462 6.475 ( 2.797 1.902 -13.077) 13.508 6.676 ( 0.502 -3.324 -5.742) 6.654 6.783 ( 1.716 2.176 -1.198) 3.019 7.035 ( -0.605 -3.086 1.604) 3.530 7.441 ( -2.746 -0.004 -2.036) 3.419 7.821 ( 4.293 0.889 7.366) 8.572 8.503 ( -1.135 1.565 2.217) 2.941 8.732 ( -0.852 -1.884 3.760) 4.291 15.867 ( -0.340 0.886 0.585) 1.115 16.060 ( -1.282 -4.677 1.150) 4.984 16.521 ( 1.058 0.276 -0.602) 1.248 17.310 ( 8.801 -0.848 6.607) 11.038 17.571 ( -2.674 7.761 -0.354) 8.217 18.322 ( -1.496 -2.765 -12.491) 12.880 ======================= Grid point 236 (53/124) ======================= q-point: (-0.30 0.10 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -7.310 -3.873 18.876) 20.609 1.332 ( -17.603 -6.591 5.168) 19.494 1.960 ( -18.139 -1.142 2.225) 18.311 2.342 ( -5.015 1.739 7.417) 9.121 2.538 ( 0.266 -1.908 0.941) 2.144 2.598 ( -1.644 -0.768 3.489) 3.933 2.851 ( -4.384 2.905 0.651) 5.300 3.047 ( 4.518 1.275 3.518) 5.866 3.167 ( -0.531 4.566 -0.447) 4.618 3.639 ( 3.233 -3.617 3.590) 6.035 3.893 ( -2.891 -1.410 -1.463) 3.533 4.490 ( 1.227 -1.040 -13.414) 13.510 6.358 ( 3.048 3.140 -3.354) 5.514 6.559 ( 4.197 1.782 -11.034) 11.939 6.645 ( -0.219 -2.341 -4.084) 4.712 6.838 ( 2.501 0.884 -1.196) 2.910 6.998 ( -1.208 -0.631 0.862) 1.613 7.380 ( -4.014 -0.388 -1.918) 4.466 7.916 ( 5.168 0.966 7.143) 8.869 8.501 ( -0.555 1.081 2.320) 2.619 8.682 ( -2.358 -2.269 3.013) 4.448 15.868 ( -0.483 0.590 0.460) 0.890 15.978 ( -2.422 -4.341 1.066) 5.084 16.546 ( 1.308 0.326 -0.513) 1.442 17.417 ( 4.308 -1.399 1.114) 4.664 17.616 ( 1.584 1.009 5.152) 5.484 18.305 ( -0.222 3.872 -13.150) 13.710 ======================= Grid point 241 (54/124) ======================= q-point: ( 0.20 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.728 5.832 18.711) 19.612 1.591 ( 4.204 18.985 2.841) 19.651 2.182 ( 5.950 2.770 0.704) 6.601 2.446 ( 3.216 0.840 4.284) 5.423 2.531 ( -0.076 2.519 3.439) 4.264 2.646 ( 1.099 5.295 1.338) 5.571 2.940 ( 2.616 -0.105 0.786) 2.734 3.028 ( 4.449 -2.313 1.985) 5.393 3.224 ( 2.752 -0.096 0.867) 2.887 3.573 ( -2.686 1.924 4.343) 5.457 3.915 ( -0.817 1.890 -0.268) 2.077 4.425 ( -3.205 -2.858 -11.428) 12.208 6.349 ( 0.850 -1.559 -4.939) 5.248 6.498 ( -2.590 -2.081 -11.130) 11.615 6.624 ( -0.313 -1.190 -4.515) 4.680 6.809 ( -0.941 -0.747 -1.258) 1.739 7.005 ( 0.654 -1.129 1.252) 1.808 7.443 ( 1.634 2.712 -2.062) 3.779 7.831 ( -2.338 -4.303 7.376) 8.854 8.531 ( 1.347 1.102 2.546) 3.084 8.694 ( -0.578 1.686 3.365) 3.808 15.887 ( 0.772 0.536 0.011) 0.940 15.972 ( -1.642 2.665 1.751) 3.587 16.526 ( -0.462 -1.138 -0.559) 1.350 17.289 ( -4.699 -5.837 6.172) 9.708 17.641 ( 0.416 4.625 -1.075) 4.767 18.337 ( 2.977 -4.198 -11.505) 12.604 ======================= Grid point 242 (55/124) ======================= q-point: ( 0.30 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 1.716 2.614 18.028) 18.297 1.831 ( 1.422 17.454 1.075) 17.545 2.269 ( 3.725 0.414 1.866) 4.187 2.455 ( 0.764 -2.828 1.260) 3.189 2.545 ( -2.864 1.601 6.372) 7.167 2.721 ( 0.855 4.885 -0.563) 4.991 2.950 ( 1.216 -2.750 -0.451) 3.041 3.126 ( 7.573 -2.829 0.064) 8.084 3.239 ( -0.501 -1.251 2.539) 2.875 3.588 ( -0.617 5.926 4.944) 7.742 3.904 ( -1.118 -0.280 0.752) 1.376 4.352 ( -1.635 -2.002 -9.953) 10.283 6.350 ( -1.185 2.147 -3.759) 4.488 6.436 ( -2.421 -0.712 -12.975) 13.218 6.614 ( 1.880 -3.716 -5.255) 6.705 6.791 ( -1.652 1.733 -1.115) 2.641 7.001 ( 1.857 -3.853 1.535) 4.544 7.486 ( 0.672 1.693 -2.126) 2.800 7.759 ( -1.480 -3.020 7.499) 8.219 8.561 ( -0.302 2.654 2.693) 3.793 8.701 ( 0.779 -0.398 3.616) 3.720 15.895 ( -1.054 1.589 0.207) 1.918 15.989 ( 2.273 -0.497 1.350) 2.690 16.509 ( -0.299 -0.866 -0.611) 1.101 17.171 ( -2.839 -3.632 7.300) 8.633 17.701 ( -2.160 9.507 -3.818) 10.470 18.320 ( 2.547 -8.192 -9.307) 12.657 ======================= Grid point 243 (56/124) ======================= q-point: ( 0.40 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 1.296 -0.497 18.162) 18.215 1.961 ( -4.542 12.572 0.201) 13.369 2.335 ( 2.257 -0.052 0.488) 2.309 2.450 ( -6.179 -1.485 8.176) 10.355 2.459 ( 1.178 1.084 1.094) 1.939 2.767 ( 0.142 2.355 -0.337) 2.384 2.942 ( 1.439 -2.430 -1.793) 3.345 3.136 ( -3.583 -4.661 -0.395) 5.892 3.241 ( 4.098 -2.586 2.602) 5.500 3.626 ( -3.267 6.415 5.363) 8.978 3.892 ( 1.291 -1.391 0.863) 2.084 4.338 ( 1.525 -0.812 -8.968) 9.133 6.342 ( -3.466 4.386 -2.148) 5.989 6.417 ( 0.653 0.126 -14.932) 14.947 6.612 ( 2.791 -4.822 -5.432) 7.781 6.786 ( -1.707 3.148 -0.895) 3.691 6.995 ( 2.466 -4.828 1.518) 5.629 7.499 ( -0.545 0.859 -2.132) 2.362 7.728 ( 0.708 -1.357 7.551) 7.704 8.568 ( -2.115 3.053 2.663) 4.570 8.712 ( 1.599 -1.728 3.804) 4.474 15.891 ( -1.178 1.751 0.506) 2.171 16.021 ( 2.863 -2.999 0.971) 4.258 16.500 ( 0.127 -0.423 -0.674) 0.806 17.129 ( 0.928 -0.940 7.633) 7.746 17.742 ( -5.518 11.156 -4.615) 13.274 18.279 ( 3.445 -9.310 -8.610) 13.141 ======================= Grid point 245 (57/124) ======================= q-point: (-0.50 0.20 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -1.778 -2.219 18.663) 18.878 1.898 ( -12.839 2.943 1.666) 13.276 2.250 ( -5.120 -2.706 0.884) 5.858 2.427 ( 1.583 0.863 3.126) 3.609 2.521 ( 0.961 4.307 3.793) 5.819 2.755 ( -3.034 -1.181 0.644) 3.319 2.967 ( 0.415 4.418 -0.632) 4.483 3.002 ( -4.043 -5.234 -0.375) 6.624 3.253 ( -0.925 -1.022 1.765) 2.239 3.607 ( -2.848 1.710 5.445) 6.378 3.915 ( 1.591 -0.222 0.618) 1.721 4.374 ( 3.489 -1.507 -9.574) 10.300 6.332 ( -1.762 3.211 -4.324) 5.666 6.450 ( 1.927 1.290 -12.787) 12.996 6.613 ( 2.352 -3.719 -4.963) 6.633 6.794 ( -0.492 2.081 -0.777) 2.275 6.993 ( 1.809 -2.803 1.249) 3.562 7.485 ( -1.837 0.339 -2.128) 2.832 7.757 ( 3.274 -0.084 7.530) 8.212 8.553 ( -2.373 1.999 2.611) 4.056 8.715 ( 0.587 -1.830 3.725) 4.191 15.890 ( -0.853 1.527 0.386) 1.791 16.017 ( 0.660 -4.044 1.291) 4.296 16.506 ( 0.792 0.045 -0.657) 1.030 17.181 ( 5.281 -0.301 7.402) 9.098 17.721 ( -6.563 5.675 -3.225) 9.257 18.275 ( 3.604 -3.094 -10.072) 11.136 ======================= Grid point 253 (58/124) ======================= q-point: ( 0.30 0.30 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -0.071 0.356 18.406) 18.410 2.115 ( 4.088 9.212 1.204) 10.150 2.276 ( -1.125 -1.941 0.566) 2.314 2.440 ( 2.046 3.337 6.347) 7.457 2.552 ( 1.748 -0.016 2.086) 2.722 2.702 ( -3.753 -5.525 -1.159) 6.779 2.998 ( -0.778 5.551 -2.111) 5.990 3.068 ( 5.227 -1.571 -0.184) 5.461 3.198 ( -3.424 -3.109 3.325) 5.696 3.714 ( 3.387 5.863 4.569) 8.169 3.855 ( -2.473 -3.955 2.864) 5.474 4.327 ( -0.667 -0.648 -10.302) 10.344 6.401 ( 2.130 2.084 -10.155) 10.583 6.436 ( -0.475 0.973 -7.950) 8.024 6.531 ( -2.062 -3.860 -4.130) 6.017 6.838 ( 1.463 2.633 -0.277) 3.025 6.926 ( -1.776 -3.263 0.655) 3.772 7.508 ( 0.338 0.557 -2.140) 2.237 7.714 ( -0.664 -1.187 7.631) 7.751 8.615 ( 1.682 2.443 3.057) 4.260 8.679 ( -1.278 -1.628 3.498) 4.065 15.923 ( 1.039 1.217 0.466) 1.667 15.970 ( -1.305 -1.229 0.991) 2.049 16.496 ( -0.152 -0.317 -0.702) 0.785 17.119 ( -0.893 -1.386 7.739) 7.913 17.901 ( 4.541 9.204 -5.502) 11.645 18.144 ( -3.803 -8.373 -7.813) 12.068 ======================= Grid point 327 (59/124) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.000 -0.000 14.666) 14.666 0.872 ( 0.000 0.000 14.666) 14.666 1.765 ( 0.000 0.000 25.331) 25.331 2.292 ( 0.000 0.000 8.257) 8.257 2.445 ( 0.000 -0.000 -2.363) 2.363 2.445 ( 0.000 -0.000 -2.363) 2.363 3.131 ( 0.000 0.000 3.376) 3.376 3.309 ( -0.000 -0.000 -3.648) 3.648 3.309 ( 0.000 0.000 -3.648) 3.648 3.649 ( 0.000 0.000 -0.743) 0.743 3.649 ( 0.000 -0.000 -0.743) 0.743 4.119 ( 0.000 0.000 -6.296) 6.296 6.495 ( -0.000 -0.000 -3.320) 3.320 6.495 ( 0.000 0.000 -3.320) 3.320 6.648 ( 0.000 0.000 -7.637) 7.637 6.953 ( 0.000 0.000 0.135) 0.135 6.953 ( 0.000 0.000 0.135) 0.135 7.145 ( 0.000 0.000 -2.254) 2.254 8.196 ( 0.000 0.000 3.458) 3.458 8.563 ( -0.000 0.000 2.604) 2.604 8.563 ( 0.000 0.000 2.604) 2.604 15.859 ( 0.000 0.000 0.397) 0.397 15.859 ( 0.000 0.000 0.397) 0.397 16.592 ( 0.000 0.000 -0.287) 0.287 17.411 ( 0.000 -0.000 -2.328) 2.328 17.411 ( 0.000 0.000 -2.328) 2.328 18.532 ( 0.000 0.000 -1.186) 1.186 ======================= Grid point 328 (60/124) ======================= q-point: ( 0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 4.742 2.738 13.401) 14.476 1.131 ( 15.409 8.896 12.685) 21.851 1.802 ( 3.832 2.213 22.104) 22.542 2.339 ( 3.512 2.027 7.915) 8.893 2.449 ( 0.983 0.568 -1.557) 1.927 2.493 ( 3.036 1.753 -2.586) 4.356 2.997 ( -5.570 -3.216 2.785) 7.009 3.353 ( 3.628 2.095 0.160) 4.192 3.421 ( 4.133 2.386 -3.989) 6.220 3.570 ( -2.614 -1.509 -0.367) 3.040 3.587 ( -7.211 -4.163 0.127) 8.328 4.191 ( 4.575 2.641 -9.090) 10.513 6.446 ( -3.269 -1.887 -4.648) 5.987 6.492 ( -1.443 -0.833 -2.960) 3.397 6.618 ( -1.684 -0.972 -6.716) 6.992 6.892 ( -3.634 -2.098 -0.433) 4.219 6.990 ( 2.299 1.327 0.112) 2.657 7.195 ( 3.437 1.984 -1.978) 4.434 8.167 ( -2.371 -1.369 3.874) 4.744 8.565 ( -0.116 -0.067 2.530) 2.534 8.593 ( 2.465 1.423 2.553) 3.824 15.853 ( -0.203 -0.117 0.447) 0.505 15.885 ( 1.579 0.912 0.554) 1.906 16.580 ( -0.906 -0.523 -0.329) 1.097 17.418 ( 0.249 0.144 -2.445) 2.462 17.479 ( 5.012 2.893 -2.606) 6.347 18.448 ( -6.091 -3.517 -1.498) 7.191 ======================= Grid point 329 (61/124) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 9.271 5.353 9.330) 14.200 1.427 ( 8.401 4.850 16.901) 19.486 1.993 ( 12.773 7.375 10.170) 17.916 2.405 ( 1.545 0.892 2.951) 3.448 2.523 ( 5.509 3.180 3.941) 7.483 2.546 ( 0.939 0.542 -0.936) 1.433 2.964 ( 2.613 1.509 2.073) 3.661 3.326 ( -7.096 -4.097 3.285) 8.828 3.454 ( -1.385 -0.799 2.622) 3.071 3.490 ( 1.191 0.687 0.967) 1.681 3.573 ( 3.034 1.752 -6.424) 7.317 4.264 ( 1.254 0.724 -10.987) 11.082 6.345 ( -4.969 -2.869 -8.148) 9.965 6.433 ( -3.405 -1.966 -1.813) 4.329 6.594 ( -0.425 -0.245 -5.417) 5.440 6.807 ( -3.438 -1.985 -1.359) 4.196 7.054 ( 3.012 1.739 0.424) 3.504 7.280 ( 3.639 2.101 -2.003) 4.655 8.094 ( -3.724 -2.150 4.483) 6.212 8.558 ( -0.418 -0.241 2.398) 2.446 8.662 ( 3.222 1.860 2.979) 4.766 15.851 ( -0.022 -0.013 0.535) 0.536 15.926 ( 2.041 1.178 1.234) 2.660 16.556 ( -1.101 -0.636 -0.493) 1.364 17.422 ( 0.043 0.025 -2.707) 2.708 17.563 ( 0.573 0.331 0.760) 1.008 18.317 ( -3.779 -2.182 -5.432) 6.968 ======================= Grid point 330 (62/124) ======================= q-point: ( 0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 9.908 5.720 5.173) 12.556 1.559 ( 4.431 2.558 18.068) 18.779 2.299 ( 10.990 6.345 2.770) 12.989 2.429 ( 0.780 0.450 0.857) 1.243 2.542 ( -0.868 -0.501 1.120) 1.503 2.655 ( 4.865 2.809 6.885) 8.886 3.064 ( 4.134 2.387 -0.567) 4.807 3.188 ( -2.777 -1.603 3.161) 4.502 3.415 ( -1.490 -0.861 4.309) 4.640 3.530 ( 1.500 0.866 3.206) 3.644 3.654 ( 3.499 2.020 -7.367) 8.403 4.259 ( -1.144 -0.660 -9.631) 9.721 6.236 ( -4.154 -2.398 -11.289) 12.266 6.346 ( -3.853 -2.225 -0.800) 4.520 6.591 ( -0.008 -0.004 -5.237) 5.237 6.736 ( -2.611 -1.508 -1.927) 3.578 7.120 ( 2.554 1.474 0.955) 3.100 7.355 ( 2.753 1.590 -2.192) 3.862 8.003 ( -3.924 -2.266 4.913) 6.683 8.547 ( -0.518 -0.299 2.244) 2.322 8.736 ( 3.109 1.795 3.609) 5.090 15.852 ( 0.164 0.095 0.618) 0.646 15.985 ( 3.064 1.769 1.586) 3.878 16.532 ( -0.930 -0.537 -0.614) 1.237 17.420 ( -0.176 -0.102 -3.007) 3.014 17.488 ( -6.006 -3.468 5.514) 8.860 18.291 ( 0.737 0.425 -9.764) 9.801 ======================= Grid point 331 (63/124) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 8.082 4.666 1.905) 9.524 1.665 ( 4.792 2.767 16.113) 17.037 2.421 ( -0.588 -0.339 5.165) 5.209 2.445 ( 0.586 0.338 0.578) 0.890 2.549 ( 2.293 1.324 -1.087) 2.862 2.721 ( 0.619 0.357 8.324) 8.354 3.096 ( -0.388 -0.224 -2.096) 2.143 3.207 ( 1.428 0.824 0.107) 1.652 3.388 ( -1.087 -0.628 3.940) 4.135 3.561 ( 1.476 0.852 4.795) 5.089 3.731 ( 3.123 1.803 -6.409) 7.354 4.240 ( 0.086 0.049 -6.879) 6.880 6.161 ( -2.240 -1.293 -13.270) 13.520 6.265 ( -2.899 -1.674 -0.314) 3.362 6.592 ( 0.085 0.049 -5.448) 5.449 6.690 ( -1.274 -0.736 -2.060) 2.531 7.165 ( 1.141 0.659 1.480) 1.981 7.404 ( 1.440 0.831 -2.327) 2.860 7.923 ( -2.679 -1.547 5.189) 6.041 8.536 ( -0.426 -0.246 2.121) 2.177 8.800 ( 2.282 1.317 3.984) 4.776 15.858 ( 0.285 0.164 0.667) 0.744 16.066 ( 3.695 2.133 1.196) 4.431 16.513 ( -0.654 -0.378 -0.615) 0.974 17.348 ( -4.866 -2.810 6.769) 8.797 17.414 ( -0.327 -0.189 -3.235) 3.257 18.306 ( -0.114 -0.066 -10.100) 10.101 ======================= Grid point 332 (64/124) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 4.022 2.322 0.189) 4.648 1.765 ( 3.127 1.805 15.968) 16.371 2.365 ( -3.064 -1.769 3.860) 5.237 2.455 ( 0.265 0.153 0.684) 0.750 2.609 ( 2.550 1.472 0.690) 3.024 2.693 ( -2.492 -1.439 8.789) 9.248 3.053 ( -3.346 -1.932 -3.162) 4.992 3.178 ( -3.887 -2.244 -1.291) 4.670 3.348 ( -2.661 -1.536 3.110) 4.371 3.607 ( 2.372 1.370 5.500) 6.145 3.798 ( 2.515 1.452 -5.025) 5.804 4.268 ( 1.902 1.098 -6.119) 6.502 6.137 ( 0.265 0.153 -13.791) 13.795 6.219 ( -0.982 -0.567 -0.220) 1.155 6.594 ( 0.119 0.069 -5.596) 5.598 6.681 ( 0.500 0.289 -2.022) 2.103 7.168 ( -0.870 -0.502 1.812) 2.072 7.421 ( 0.010 0.006 -2.360) 2.360 7.889 ( -0.097 -0.056 5.340) 5.342 8.528 ( -0.218 -0.126 2.086) 2.101 8.837 ( 0.771 0.445 3.983) 4.082 15.865 ( 0.299 0.172 0.679) 0.761 16.136 ( 1.821 1.051 0.466) 2.153 16.501 ( -0.330 -0.190 -0.571) 0.687 17.307 ( 2.015 1.163 7.084) 7.456 17.406 ( -0.354 -0.204 -3.313) 3.338 18.271 ( -3.026 -1.747 -9.665) 10.277 ======================= Grid point 334 (65/124) ======================= q-point: (-0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -2.466 -1.424 1.031) 3.029 1.777 ( -2.483 -1.434 17.263) 17.500 2.288 ( -4.174 -2.410 1.701) 5.111 2.456 ( -0.185 -0.107 1.189) 1.208 2.632 ( -2.323 -1.341 7.209) 7.692 2.657 ( 1.265 0.730 2.869) 3.219 2.979 ( -1.641 -0.947 -1.265) 2.278 3.050 ( -6.533 -3.772 -1.065) 7.618 3.261 ( -4.632 -2.675 2.602) 5.948 3.666 ( 2.761 1.594 4.780) 5.745 3.842 ( 1.141 0.659 -4.089) 4.296 4.301 ( 0.482 0.278 -8.244) 8.262 6.175 ( 3.081 1.779 -12.961) 13.440 6.222 ( 1.252 0.723 -0.384) 1.495 6.595 ( -0.102 -0.059 -5.370) 5.371 6.712 ( 2.147 1.240 -1.975) 3.169 7.127 ( -2.570 -1.484 1.847) 3.495 7.405 ( -1.379 -0.796 -2.299) 2.797 7.920 ( 2.609 1.506 5.297) 6.093 8.526 ( 0.049 0.028 2.164) 2.165 8.833 ( -1.125 -0.649 3.624) 3.850 15.871 ( 0.203 0.117 0.650) 0.691 16.134 ( -2.018 -1.165 0.062) 2.331 16.503 ( 0.571 0.329 -0.565) 0.868 17.399 ( -0.249 -0.144 -3.215) 3.227 17.448 ( 9.756 5.632 7.651) 13.618 18.167 ( -5.732 -3.310 -10.235) 12.189 ======================= Grid point 335 (66/124) ======================= q-point: (-0.30 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -8.749 -5.051 4.270) 10.968 1.647 ( -8.748 -5.051 15.614) 18.597 2.133 ( -9.102 -5.255 5.370) 11.803 2.445 ( -0.803 -0.463 2.431) 2.602 2.584 ( -2.217 -1.280 3.886) 4.654 2.676 ( 0.536 0.309 4.001) 4.048 2.883 ( -5.955 -3.438 0.684) 6.911 3.036 ( 5.336 3.081 0.475) 6.180 3.158 ( -3.420 -1.974 1.878) 4.373 3.728 ( 2.103 1.214 2.980) 3.844 3.847 ( -0.751 -0.434 -3.538) 3.643 4.280 ( -2.241 -1.294 -11.077) 11.375 6.274 ( 3.050 1.761 -0.844) 3.621 6.277 ( 5.506 3.179 -11.282) 12.950 6.588 ( -0.503 -0.290 -4.612) 4.648 6.775 ( 3.112 1.797 -1.856) 4.044 7.058 ( -3.109 -1.795 1.534) 3.904 7.358 ( -2.640 -1.524 -2.157) 3.735 8.000 ( 4.010 2.315 5.010) 6.822 8.531 ( 0.329 0.190 2.325) 2.356 8.785 ( -2.939 -1.697 3.007) 4.534 15.873 ( 0.030 0.017 0.582) 0.583 16.058 ( -4.074 -2.352 -0.056) 4.705 16.525 ( 1.183 0.683 -0.536) 1.468 17.395 ( -0.049 -0.028 -2.967) 2.967 17.707 ( 9.829 5.675 9.186) 14.601 18.032 ( -3.873 -2.236 -12.400) 13.182 ======================= Grid point 336 (67/124) ======================= q-point: (-0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -11.489 -6.633 8.180) 15.585 1.370 ( -14.851 -8.574 11.572) 20.688 1.922 ( -7.730 -4.463 15.784) 18.133 2.412 ( -2.339 -1.350 5.706) 6.313 2.517 ( -3.163 -1.826 -0.348) 3.668 2.615 ( -5.806 -3.352 -0.783) 6.750 2.861 ( 4.400 2.540 4.483) 6.776 3.131 ( 1.151 0.664 0.243) 1.351 3.208 ( 8.986 5.188 2.987) 10.797 3.724 ( -3.411 -1.969 -0.670) 3.995 3.808 ( -2.496 -1.441 -2.925) 4.107 4.217 ( -2.607 -1.505 -11.540) 11.926 6.356 ( 3.838 2.216 -1.661) 4.732 6.418 ( 6.103 3.523 -9.483) 11.815 6.576 ( -0.348 -0.201 -3.660) 3.682 6.851 ( 3.308 1.910 -1.490) 4.100 6.992 ( -2.436 -1.407 0.981) 2.979 7.285 ( -3.614 -2.087 -1.975) 4.617 8.093 ( 3.794 2.191 4.533) 6.304 8.541 ( 0.530 0.306 2.493) 2.567 8.702 ( -4.070 -2.350 2.405) 5.280 15.872 ( -0.159 -0.092 0.489) 0.522 15.961 ( -4.040 -2.333 -0.047) 4.666 16.554 ( 1.241 0.716 -0.434) 1.497 17.397 ( 0.173 0.100 -2.657) 2.664 17.699 ( -7.823 -4.516 -1.363) 9.135 18.167 ( 12.315 7.110 -2.513) 14.441 ======================= Grid point 337 (68/124) ======================= q-point: (-0.10 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -13.566 -7.832 12.489) 20.034 1.035 ( -9.864 -5.695 12.054) 16.584 1.798 ( -3.093 -1.786 23.033) 23.308 2.337 ( -3.381 -1.952 8.194) 9.077 2.465 ( -1.354 -0.782 -2.726) 3.142 2.489 ( -4.090 -2.361 -1.884) 5.085 3.008 ( 7.142 4.123 3.430) 8.931 3.198 ( 4.224 2.439 -1.826) 5.208 3.427 ( 7.767 4.484 3.735) 9.716 3.568 ( -7.685 -4.437 -4.948) 10.160 3.736 ( -3.585 -2.070 -1.976) 4.587 4.163 ( -2.394 -1.382 -8.611) 9.043 6.441 ( 3.231 1.865 -2.673) 4.589 6.507 ( 0.695 0.401 -5.332) 5.392 6.604 ( 3.060 1.767 -6.143) 7.087 6.923 ( 2.701 1.559 -0.724) 3.201 6.953 ( -0.847 -0.489 0.473) 1.086 7.197 ( -3.630 -2.096 -1.951) 4.623 8.167 ( 2.383 1.376 3.892) 4.766 8.554 ( 0.522 0.302 2.595) 2.664 8.610 ( -3.450 -1.992 2.334) 4.618 15.866 ( -0.290 -0.167 0.413) 0.532 15.883 ( -2.374 -1.370 0.229) 2.751 16.580 ( 0.928 0.536 -0.317) 1.117 17.403 ( 0.330 0.191 -2.409) 2.439 17.507 ( -7.264 -4.194 -3.084) 8.937 18.428 ( 8.699 5.022 -0.819) 10.078 ======================= Grid point 339 (69/124) ======================= q-point: ( 0.10 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -0.429 15.892 9.737) 18.643 1.342 ( 9.945 11.111 13.333) 20.003 1.894 ( 6.156 6.952 16.015) 18.513 2.412 ( 2.986 4.732 7.717) 9.532 2.473 ( -0.075 1.692 -2.206) 2.781 2.563 ( 1.108 4.792 -0.883) 4.997 2.926 ( 0.992 -3.477 3.360) 4.936 3.235 ( 7.723 -6.400 -0.405) 10.039 3.304 ( -1.680 -11.091 3.629) 11.790 3.633 ( -3.901 4.844 -1.738) 6.458 3.712 ( -5.143 9.646 -2.446) 11.201 4.224 ( 2.943 0.563 -10.924) 11.327 6.371 ( -2.914 -4.822 -4.825) 7.417 6.469 ( -1.770 -2.666 -5.438) 6.310 6.578 ( 0.228 -1.797 -4.476) 4.828 6.855 ( -3.239 -1.745 -1.119) 3.845 6.998 ( 3.095 0.202 0.472) 3.138 7.262 ( 2.117 4.045 -1.947) 4.963 8.116 ( -2.005 -3.523 4.360) 5.953 8.555 ( 0.627 -0.457 2.536) 2.652 8.657 ( 0.597 4.121 2.508) 4.861 15.865 ( -0.505 0.850 0.324) 1.040 15.919 ( 0.511 2.785 0.707) 2.918 16.562 ( -0.633 -1.188 -0.423) 1.411 17.408 ( 0.748 -0.604 -2.448) 2.630 17.602 ( -0.160 7.768 -1.741) 7.963 18.295 ( -1.211 -10.844 -2.729) 11.247 ======================= Grid point 340 (70/124) ======================= q-point: ( 0.20 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 3.123 16.341 6.292) 17.786 1.533 ( 3.443 5.800 17.894) 19.123 2.145 ( 12.258 6.331 4.920) 14.647 2.473 ( -1.640 5.340 0.764) 5.639 2.520 ( 2.659 -0.264 2.987) 4.008 2.623 ( 2.372 3.884 4.089) 6.118 2.983 ( 5.838 -0.236 1.002) 5.928 3.168 ( -1.301 -7.859 3.251) 8.604 3.307 ( 6.838 -5.934 0.745) 9.085 3.576 ( -4.652 3.786 2.106) 6.357 3.761 ( -3.042 10.334 -3.401) 11.296 4.244 ( 0.527 -2.455 -11.127) 11.406 6.266 ( -3.258 -4.322 -8.896) 10.413 6.400 ( -3.510 -1.778 -3.137) 5.032 6.570 ( 0.757 -1.669 -4.461) 4.823 6.786 ( -3.432 -0.342 -1.642) 3.820 7.055 ( 3.852 -1.170 0.770) 4.099 7.339 ( 2.217 3.313 -2.112) 4.511 8.034 ( -3.015 -3.681 4.822) 6.774 8.561 ( -0.125 0.643 2.410) 2.498 8.711 ( 1.677 2.705 3.169) 4.491 15.867 ( -0.627 1.288 0.295) 1.462 15.958 ( 1.445 1.973 1.528) 2.884 16.538 ( -0.732 -1.096 -0.575) 1.438 17.408 ( 0.078 -1.219 -1.705) 2.098 17.601 ( -6.147 2.722 2.932) 7.335 18.226 ( 3.336 -6.036 -8.454) 10.910 ======================= Grid point 341 (71/124) ======================= q-point: ( 0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 2.873 14.920 3.626) 15.621 1.634 ( 2.956 4.801 16.733) 17.657 2.348 ( 6.570 -0.779 2.961) 7.248 2.487 ( -1.426 1.472 1.042) 2.299 2.547 ( 0.172 4.335 0.588) 4.378 2.707 ( 2.257 1.928 7.348) 7.924 3.039 ( 2.823 -4.827 -0.699) 5.636 3.155 ( 4.275 -1.218 0.084) 4.446 3.348 ( 3.481 -3.841 2.947) 5.963 3.570 ( -1.021 4.495 3.920) 6.051 3.797 ( -3.151 7.745 -3.978) 9.259 4.217 ( 0.539 -3.234 -8.913) 9.497 6.182 ( -2.282 -2.547 -12.062) 12.538 6.320 ( -4.066 -0.473 -1.468) 4.349 6.569 ( 1.133 -1.925 -4.891) 5.377 6.732 ( -2.981 0.926 -1.864) 3.636 7.103 ( 3.766 -2.838 1.161) 4.857 7.399 ( 1.317 2.410 -2.268) 3.562 7.947 ( -2.711 -3.119 5.160) 6.611 8.563 ( -1.160 1.826 2.293) 3.153 8.767 ( 2.439 1.053 3.736) 4.585 15.869 ( -0.643 1.353 0.441) 1.562 16.014 ( 3.269 0.923 1.545) 3.732 16.516 ( -0.526 -0.969 -0.639) 1.274 17.370 ( -2.149 -3.391 3.258) 5.170 17.508 ( -6.288 4.152 0.055) 7.535 18.249 ( 3.904 -4.306 -10.158) 11.703 ======================= Grid point 342 (72/124) ======================= q-point: ( 0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 1.640 9.929 4.636) 11.080 1.738 ( 2.200 5.622 12.447) 13.834 2.382 ( 0.127 -1.650 4.375) 4.678 2.469 ( -0.961 0.449 0.604) 1.221 2.602 ( 0.353 3.898 1.096) 4.065 2.718 ( -1.456 -0.224 7.567) 7.709 3.023 ( 1.685 -6.430 -2.635) 7.150 3.187 ( 0.134 -2.616 -1.781) 3.167 3.353 ( 0.769 -2.426 3.274) 4.147 3.614 ( 0.034 4.904 5.405) 7.299 3.818 ( -1.321 4.745 -4.585) 6.729 4.218 ( 2.799 -2.267 -6.707) 7.613 6.138 ( -0.752 -0.809 -13.718) 13.763 6.259 ( -3.016 1.124 -0.630) 3.280 6.571 ( 1.346 -2.000 -5.250) 5.777 6.705 ( -1.770 2.030 -1.818) 3.250 7.124 ( 2.660 -4.213 1.478) 5.197 7.431 ( 0.039 1.469 -2.333) 2.758 7.888 ( -0.895 -1.784 5.376) 5.734 8.559 ( -1.696 2.386 2.251) 3.692 8.812 ( 2.042 -0.311 3.939) 4.448 15.872 ( -0.446 1.140 0.589) 1.358 16.081 ( 3.874 -0.801 0.902) 4.058 16.501 ( -0.223 -0.804 -0.622) 1.041 17.301 ( -1.274 -1.398 7.029) 7.279 17.477 ( -3.836 6.100 -3.635) 8.071 18.249 ( 1.382 -5.371 -9.577) 11.067 ======================= Grid point 343 (73/124) ======================= q-point: (-0.50 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -1.906 7.198 3.961) 8.434 1.781 ( -1.593 0.825 13.489) 13.608 2.337 ( -4.073 -1.443 2.415) 4.950 2.466 ( -0.067 0.507 0.921) 1.053 2.609 ( -0.222 -1.680 6.855) 7.061 2.710 ( -1.102 4.333 2.775) 5.262 2.971 ( -0.211 -4.986 -2.438) 5.554 3.102 ( -4.735 -5.120 -1.132) 7.065 3.319 ( -2.872 -1.206 2.609) 4.064 3.658 ( 0.289 3.251 5.385) 6.297 3.850 ( 0.244 3.282 -3.890) 5.096 4.252 ( 3.299 -2.768 -7.432) 8.590 6.141 ( 1.412 0.137 -13.149) 13.226 6.244 ( -0.963 3.017 -1.127) 3.362 6.574 ( 1.289 -2.006 -5.225) 5.744 6.713 ( -0.034 2.739 -1.739) 3.245 7.109 ( 0.847 -4.729 1.605) 5.065 7.430 ( -1.312 0.631 -2.322) 2.741 7.887 ( 1.845 -0.148 5.429) 5.735 8.553 ( -1.663 2.334 2.287) 3.667 8.827 ( 0.613 -1.421 3.779) 4.083 15.876 ( -0.288 0.905 0.624) 1.136 16.113 ( 1.592 -3.085 0.392) 3.494 16.495 ( 0.369 -0.270 -0.601) 0.755 17.322 ( 3.809 0.025 6.178) 7.258 17.495 ( -1.853 8.434 -2.471) 8.981 18.188 ( -1.685 -5.969 -9.570) 11.404 ======================= Grid point 344 (74/124) ======================= q-point: (-0.40 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -9.699 0.689 5.482) 11.162 1.731 ( -6.071 -2.282 14.339) 15.738 2.214 ( -5.828 -4.105 2.455) 7.539 2.470 ( -0.618 1.043 0.743) 1.422 2.608 ( -0.451 1.311 6.962) 7.099 2.709 ( -3.501 1.464 2.711) 4.664 2.944 ( -3.435 -2.347 0.647) 4.210 2.980 ( 1.715 -0.926 -1.713) 2.595 3.235 ( -5.379 0.105 2.472) 5.921 3.689 ( 1.313 -0.217 3.725) 3.956 3.881 ( -0.761 3.088 -2.466) 4.025 4.259 ( 1.407 -4.063 -10.232) 11.099 6.188 ( 3.831 0.100 -10.047) 10.753 6.288 ( 1.483 4.629 -3.443) 5.956 6.573 ( 0.875 -1.914 -4.660) 5.114 6.755 ( 1.556 2.579 -1.695) 3.456 7.065 ( -0.752 -3.777 1.474) 4.123 7.399 ( -2.628 -0.008 -2.245) 3.456 7.944 ( 4.037 0.889 5.247) 6.680 8.549 ( -1.218 1.894 2.380) 3.276 8.803 ( -1.286 -2.224 3.343) 4.216 15.879 ( -0.309 0.656 0.550) 0.910 16.074 ( -1.532 -4.118 0.366) 4.409 16.509 ( 1.130 0.270 -0.593) 1.305 17.379 ( 2.221 -0.612 0.222) 2.315 17.616 ( 5.870 7.676 4.913) 10.840 18.085 ( -3.829 -3.369 -11.282) 12.381 ======================= Grid point 345 (75/124) ======================= q-point: (-0.30 0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -14.671 -6.580 5.849) 17.110 1.554 ( -9.886 -2.698 15.336) 18.444 2.059 ( -9.756 -0.114 7.642) 12.393 2.464 ( -1.995 2.098 2.164) 3.614 2.558 ( -4.966 -2.309 4.084) 6.831 2.650 ( -2.085 -2.921 1.348) 3.833 2.879 ( -2.139 3.923 2.336) 5.042 3.103 ( 7.755 3.533 1.584) 8.667 3.173 ( -2.577 3.587 1.341) 4.616 3.689 ( 1.168 -4.501 1.267) 4.820 3.860 ( -4.068 -0.786 -1.890) 4.554 4.234 ( -0.176 -1.699 -12.147) 12.267 6.272 ( 5.548 -0.082 -6.475) 8.527 6.380 ( 3.599 4.189 -5.936) 8.108 6.568 ( 0.442 -1.258 -3.776) 4.004 6.811 ( 2.580 0.919 -1.587) 3.165 7.018 ( -1.585 -0.958 1.075) 2.142 7.340 ( -3.833 -0.395 -2.095) 4.386 8.033 ( 4.736 0.888 4.864) 6.846 8.549 ( -0.558 1.286 2.479) 2.848 8.740 ( -3.027 -2.437 2.810) 4.796 15.877 ( -0.433 0.157 0.411) 0.618 15.994 ( -2.957 -3.357 0.522) 4.504 16.535 ( 1.410 0.328 -0.534) 1.543 17.397 ( 0.400 0.343 -2.126) 2.190 17.725 ( 0.534 -4.414 4.388) 6.247 18.081 ( 4.414 7.039 -8.924) 12.193 ======================= Grid point 350 (76/124) ======================= q-point: ( 0.20 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 1.175 11.508 10.670) 15.738 1.667 ( 1.931 12.093 10.587) 16.188 2.218 ( 6.772 1.497 2.605) 7.409 2.488 ( 0.340 -1.034 0.839) 1.374 2.644 ( -0.625 8.411 4.307) 9.471 2.672 ( 2.553 0.966 3.907) 4.767 2.952 ( 2.393 -1.522 0.542) 2.887 3.038 ( 3.655 -5.925 -1.036) 7.038 3.262 ( 3.902 1.352 2.873) 5.031 3.648 ( -2.188 3.258 3.131) 5.020 3.909 ( -0.524 3.842 -0.450) 3.903 4.190 ( -2.342 -2.121 -11.998) 12.407 6.189 ( -1.903 -3.146 -10.558) 11.180 6.357 ( -0.278 -2.292 -3.714) 4.373 6.541 ( -0.928 -1.119 -3.840) 4.106 6.782 ( -1.098 -0.213 -1.435) 1.820 7.027 ( 0.822 -1.193 1.005) 1.763 7.400 ( 1.555 2.600 -2.253) 3.775 7.954 ( -2.216 -4.000 5.211) 6.933 8.581 ( 1.452 1.223 2.550) 3.179 8.760 ( -0.338 1.991 3.311) 3.878 15.889 ( 0.333 0.795 0.192) 0.883 16.003 ( -0.940 2.255 1.368) 2.800 16.514 ( -0.485 -1.211 -0.632) 1.450 17.373 ( -1.560 -2.358 1.832) 3.369 17.650 ( -4.418 1.772 2.325) 5.298 18.114 ( 4.782 -4.251 -10.836) 12.584 ======================= Grid point 351 (77/124) ======================= q-point: ( 0.30 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.737 3.563 16.834) 17.223 1.863 ( 0.166 17.051 2.308) 17.207 2.318 ( 4.882 -1.081 3.096) 5.881 2.473 ( -0.222 -1.174 1.266) 1.741 2.685 ( -3.150 5.750 3.157) 7.277 2.727 ( 2.151 0.480 5.249) 5.693 2.920 ( 0.234 -5.501 -2.499) 6.046 3.102 ( 6.080 -3.482 -2.383) 7.401 3.308 ( 0.963 -0.909 4.058) 4.268 3.680 ( -0.021 6.016 4.233) 7.355 3.910 ( -3.209 3.027 -0.708) 4.468 4.145 ( 1.082 -3.418 -10.293) 10.899 6.142 ( -0.909 -1.370 -13.163) 13.265 6.327 ( -2.338 1.292 -2.074) 3.382 6.520 ( 0.863 -2.919 -4.256) 5.232 6.768 ( -1.927 2.568 -1.237) 3.440 7.025 ( 2.278 -4.462 0.977) 5.104 7.441 ( 0.663 1.630 -2.353) 2.938 7.886 ( -1.450 -2.763 5.485) 6.311 8.614 ( -0.473 3.043 2.609) 4.036 8.773 ( 1.089 -0.499 3.641) 3.832 15.900 ( -0.619 1.618 0.265) 1.753 16.016 ( 1.684 -0.781 1.274) 2.251 16.496 ( -0.298 -0.947 -0.669) 1.197 17.311 ( -1.867 -2.406 6.489) 7.168 17.628 ( -3.914 7.507 -3.264) 9.074 18.132 ( 3.645 -7.013 -9.532) 12.383 ======================= Grid point 352 (78/124) ======================= q-point: ( 0.40 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 1.442 0.477 16.951) 17.018 1.977 ( -5.309 13.377 1.406) 14.460 2.367 ( 0.941 -1.238 2.830) 3.229 2.468 ( -0.580 0.726 0.790) 1.219 2.624 ( -3.484 -1.676 7.484) 8.423 2.773 ( 0.627 3.010 1.796) 3.561 2.891 ( 1.742 -3.126 -3.114) 4.744 3.109 ( -1.317 -4.985 -2.475) 5.719 3.308 ( 1.498 -1.898 3.942) 4.624 3.729 ( -2.439 5.702 4.997) 7.965 3.889 ( -1.014 2.190 -1.914) 3.080 4.153 ( 3.399 -3.805 -8.960) 10.311 6.128 ( 0.161 -0.280 -13.925) 13.928 6.309 ( -2.421 3.570 -1.572) 4.591 6.514 ( 2.194 -3.521 -4.434) 6.072 6.767 ( -2.012 3.942 -1.114) 4.564 7.019 ( 2.884 -5.719 0.986) 6.480 7.455 ( -0.520 0.824 -2.370) 2.563 7.857 ( 0.636 -1.180 5.611) 5.769 8.622 ( -2.398 3.541 2.672) 5.042 8.787 ( 1.767 -2.052 3.671) 4.562 15.901 ( -1.077 1.756 0.517) 2.124 16.038 ( 2.730 -3.064 0.715) 4.165 16.487 ( 0.142 -0.482 -0.662) 0.831 17.283 ( 0.693 -0.594 7.708) 7.762 17.646 ( -4.411 9.915 -4.972) 11.937 18.105 ( 2.590 -8.354 -8.696) 12.334 ======================= Grid point 354 (79/124) ======================= q-point: (-0.50 0.20 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -1.606 -2.268 17.618) 17.836 1.931 ( -11.447 4.394 1.731) 12.383 2.278 ( -5.471 -2.757 2.261) 6.530 2.468 ( 0.926 -0.003 1.390) 1.670 2.637 ( 0.924 4.761 6.464) 8.081 2.777 ( -2.431 -1.312 2.240) 3.556 2.920 ( 2.715 1.069 -3.317) 4.418 3.001 ( -3.990 -2.228 -0.477) 4.595 3.302 ( -1.465 -0.400 3.050) 3.407 3.706 ( -3.193 0.786 4.325) 5.433 3.920 ( 0.291 3.015 -0.449) 3.062 4.169 ( 3.111 -4.469 -10.643) 11.955 6.143 ( 1.686 0.059 -12.721) 12.832 6.319 ( -0.450 3.371 -2.586) 4.272 6.523 ( 2.221 -2.414 -4.128) 5.272 6.775 ( -0.883 2.509 -1.143) 2.895 7.015 ( 2.084 -3.417 1.005) 4.126 7.440 ( -1.773 0.308 -2.342) 2.954 7.885 ( 3.067 -0.038 5.517) 6.312 8.606 ( -2.641 2.347 2.670) 4.428 8.787 ( 0.494 -2.104 3.505) 4.118 15.899 ( -0.929 1.161 0.433) 1.549 16.038 ( 0.883 -3.507 0.825) 3.710 16.493 ( 0.847 0.037 -0.656) 1.073 17.318 ( 3.318 -0.298 6.010) 6.871 17.664 ( -2.748 5.404 -2.240) 6.463 18.076 ( 1.342 -3.020 -9.892) 10.429 ======================= Grid point 362 (80/124) ======================= q-point: ( 0.30 0.30 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.186 0.459 17.528) 17.535 2.150 ( 4.267 9.358 2.255) 10.529 2.308 ( -0.760 -1.427 2.670) 3.122 2.492 ( 2.318 4.974 0.603) 5.521 2.659 ( 3.353 -7.137 1.447) 8.018 2.702 ( -6.422 -1.584 7.019) 9.644 2.943 ( 0.591 5.002 -3.483) 6.124 3.038 ( 1.819 -2.307 -2.615) 3.933 3.283 ( -1.133 -1.403 4.785) 5.113 3.799 ( 2.800 5.270 3.831) 7.092 3.909 ( -1.437 -2.686 2.487) 3.932 4.098 ( -1.091 -1.119 -12.625) 12.722 6.125 ( -0.214 -0.380 -14.013) 14.020 6.369 ( 1.600 2.498 -2.522) 3.894 6.456 ( -1.865 -3.037 -3.453) 4.963 6.830 ( 1.713 3.250 -0.506) 3.709 6.937 ( -2.056 -3.914 0.390) 4.439 7.463 ( 0.334 0.554 -2.393) 2.479 7.845 ( -0.621 -1.098 5.706) 5.844 8.676 ( 1.873 2.772 3.015) 4.503 8.748 ( -1.394 -1.838 3.421) 4.126 15.932 ( 1.103 1.567 0.431) 1.964 15.988 ( -1.435 -1.723 0.771) 2.371 16.482 ( -0.161 -0.342 -0.683) 0.780 17.276 ( -0.629 -0.945 7.970) 8.050 17.788 ( 3.178 7.327 -5.750) 9.841 17.985 ( -2.610 -6.753 -8.154) 10.905 ======================= Grid point 436 (81/124) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.000 -0.000 12.014) 12.014 1.136 ( 0.000 0.000 12.014) 12.014 2.194 ( 0.000 0.000 18.184) 18.184 2.383 ( 0.000 -0.000 -3.829) 3.829 2.383 ( -0.000 0.000 -3.829) 3.829 2.435 ( 0.000 0.000 6.088) 6.088 3.200 ( 0.000 0.000 3.639) 3.639 3.248 ( 0.000 -0.000 -2.542) 2.542 3.248 ( 0.000 0.000 -2.542) 2.542 3.634 ( 0.000 0.000 -0.657) 0.657 3.634 ( 0.000 0.000 -0.657) 0.657 3.983 ( 0.000 0.000 -7.366) 7.366 6.439 ( 0.000 -0.000 -2.301) 2.301 6.439 ( 0.000 0.000 -2.301) 2.301 6.521 ( 0.000 0.000 -5.243) 5.243 6.954 ( 0.000 -0.000 -0.005) 0.005 6.954 ( 0.000 0.000 -0.005) 0.005 7.105 ( 0.000 0.000 -1.784) 1.784 8.250 ( 0.000 0.000 2.066) 2.066 8.608 ( 0.000 0.000 1.890) 1.890 8.608 ( -0.000 0.000 1.890) 1.890 15.866 ( 0.000 -0.000 0.318) 0.318 15.866 ( 0.000 -0.000 0.318) 0.318 16.587 ( 0.000 0.000 -0.210) 0.210 17.370 ( 0.000 0.000 -1.793) 1.793 17.370 ( 0.000 0.000 -1.793) 1.793 18.511 ( 0.000 0.000 -0.899) 0.899 ======================= Grid point 437 (82/124) ======================= q-point: ( 0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 2.947 1.701 12.141) 12.608 1.357 ( 14.758 8.521 10.093) 19.806 2.175 ( -1.397 -0.807 15.019) 15.105 2.390 ( 0.407 0.235 -2.824) 2.862 2.432 ( 3.801 2.194 -2.796) 5.204 2.490 ( 4.679 2.702 5.760) 7.898 3.052 ( -4.878 -2.816 2.796) 6.288 3.327 ( 3.420 1.975 -4.986) 6.360 3.358 ( 4.994 2.883 0.664) 5.805 3.575 ( -6.057 -3.497 -1.321) 7.118 3.583 ( -1.909 -1.102 1.278) 2.549 4.029 ( 2.991 1.727 -7.578) 8.328 6.366 ( -5.366 -3.098 -3.446) 7.090 6.438 ( -0.956 -0.552 -2.455) 2.692 6.513 ( -0.325 -0.188 -4.002) 4.020 6.884 ( -4.227 -2.440 -0.265) 4.888 6.988 ( 2.315 1.337 -0.251) 2.685 7.160 ( 3.598 2.077 -1.463) 4.405 8.226 ( -2.018 -1.165 2.218) 3.217 8.607 ( -0.226 -0.131 1.749) 1.769 8.639 ( 2.625 1.516 2.026) 3.646 15.862 ( -0.106 -0.061 0.466) 0.482 15.893 ( 1.844 1.065 0.262) 2.146 16.574 ( -0.998 -0.576 -0.251) 1.179 17.374 ( 0.046 0.027 -2.013) 2.014 17.432 ( 5.028 2.903 -2.045) 6.155 18.428 ( -6.584 -3.801 -0.713) 7.636 ======================= Grid point 438 (83/124) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 6.221 3.591 10.097) 12.391 1.713 ( 13.352 7.709 12.085) 19.589 2.164 ( 1.880 1.085 6.338) 6.699 2.402 ( 0.648 0.374 -1.924) 2.065 2.528 ( 3.734 2.156 -0.068) 4.312 2.634 ( 7.172 4.141 5.806) 10.114 3.005 ( 0.623 0.360 1.968) 2.096 3.347 ( -6.857 -3.959 -0.687) 7.948 3.404 ( 3.172 1.832 -6.664) 7.604 3.519 ( 3.114 1.798 1.936) 4.083 3.547 ( -1.192 -0.688 2.841) 3.157 4.083 ( 1.443 0.833 -7.641) 7.820 6.212 ( -7.278 -4.202 -5.344) 9.959 6.397 ( -2.513 -1.451 -1.873) 3.454 6.509 ( -0.075 -0.043 -3.286) 3.287 6.786 ( -4.031 -2.327 -0.772) 4.718 7.055 ( 3.296 1.903 -0.193) 3.811 7.245 ( 3.503 2.022 -1.479) 4.306 8.161 ( -3.381 -1.952 2.508) 4.640 8.598 ( -0.536 -0.309 1.608) 1.723 8.715 ( 3.693 2.132 2.417) 4.902 15.862 ( 0.062 0.036 0.597) 0.601 15.945 ( 2.596 1.499 0.695) 3.077 16.547 ( -1.262 -0.728 -0.405) 1.512 17.372 ( -0.204 -0.118 -2.294) 2.306 17.555 ( 4.247 2.452 -1.008) 5.007 18.249 ( -7.585 -4.379 -2.045) 8.994 ======================= Grid point 439 (84/124) ======================= q-point: ( 0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 6.823 3.939 6.934) 10.496 1.892 ( 3.104 1.792 15.985) 16.382 2.308 ( 9.064 5.233 -2.187) 10.692 2.419 ( 0.768 0.444 -1.401) 1.658 2.584 ( 0.836 0.483 3.155) 3.300 2.794 ( 6.002 3.465 6.615) 9.580 3.046 ( 1.720 0.993 -1.209) 2.325 3.204 ( -3.976 -2.295 -1.381) 4.794 3.459 ( 0.737 0.426 -3.481) 3.584 3.543 ( 1.631 0.942 -0.207) 1.894 3.595 ( 2.852 1.647 3.563) 4.852 4.105 ( 0.754 0.435 -6.164) 6.225 6.052 ( -6.118 -3.532 -7.398) 10.229 6.329 ( -3.157 -1.823 -0.992) 3.778 6.507 ( -0.100 -0.057 -3.256) 3.258 6.704 ( -2.937 -1.695 -1.276) 3.623 7.131 ( 2.994 1.729 0.170) 3.462 7.317 ( 2.592 1.497 -1.668) 3.426 8.077 ( -3.655 -2.110 2.797) 5.063 8.584 ( -0.609 -0.352 1.509) 1.665 8.800 ( 3.463 1.999 2.842) 4.905 15.865 ( 0.202 0.117 0.661) 0.700 16.012 ( 3.162 1.826 1.185) 3.839 16.520 ( -1.004 -0.580 -0.570) 1.292 17.365 ( -0.374 -0.216 -2.528) 2.564 17.570 ( -3.256 -1.880 3.065) 4.851 18.136 ( -1.577 -0.911 -6.087) 6.353 ======================= Grid point 440 (85/124) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 5.644 3.259 3.606) 7.448 1.948 ( 2.749 1.587 12.730) 13.120 2.435 ( 0.549 0.317 -1.151) 1.314 2.491 ( 5.660 3.268 0.106) 6.537 2.563 ( -2.094 -1.209 3.832) 4.531 2.889 ( 1.826 1.054 8.162) 8.430 3.045 ( -1.503 -0.868 -2.826) 3.316 3.169 ( -0.472 -0.273 -3.572) 3.613 3.443 ( -1.516 -0.875 0.656) 1.869 3.615 ( 3.813 2.201 -4.320) 6.168 3.654 ( 2.394 1.382 4.611) 5.377 4.129 ( 1.361 0.786 -4.506) 4.772 5.941 ( -3.306 -1.909 -9.052) 9.824 6.260 ( -2.534 -1.463 -0.258) 2.937 6.505 ( -0.055 -0.032 -3.377) 3.378 6.653 ( -1.373 -0.793 -1.602) 2.253 7.186 ( 1.562 0.902 0.695) 1.933 7.363 ( 1.357 0.784 -1.821) 2.403 8.003 ( -2.491 -1.438 3.042) 4.187 8.572 ( -0.457 -0.264 1.480) 1.571 8.869 ( 2.327 1.344 2.961) 3.999 15.871 ( 0.269 0.156 0.635) 0.707 16.088 ( 3.119 1.801 0.983) 3.734 16.501 ( -0.596 -0.344 -0.588) 0.905 17.355 ( -0.405 -0.234 -2.628) 2.669 17.460 ( -4.549 -2.626 4.618) 6.994 18.136 ( 0.274 0.158 -7.127) 7.134 ======================= Grid point 441 (86/124) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 3.060 1.767 1.093) 3.699 2.026 ( 3.519 2.032 10.506) 11.265 2.442 ( 0.009 0.005 -1.295) 1.295 2.457 ( -4.899 -2.828 5.290) 7.745 2.623 ( 4.188 2.418 0.395) 4.852 2.881 ( -2.129 -1.229 9.632) 9.940 2.990 ( -2.922 -1.687 -2.910) 4.455 3.133 ( -3.021 -1.744 -2.957) 4.573 3.393 ( -2.898 -1.673 1.141) 3.536 3.700 ( 3.208 1.852 -4.654) 5.948 3.706 ( 1.931 1.115 4.393) 4.927 4.159 ( 0.912 0.526 -4.780) 4.894 5.905 ( 0.312 0.180 -9.714) 9.721 6.220 ( -0.845 -0.488 0.238) 1.004 6.506 ( 0.122 0.071 -3.461) 3.464 6.642 ( 0.453 0.262 -1.804) 1.878 7.197 ( -0.611 -0.353 1.181) 1.376 7.379 ( 0.017 0.010 -1.873) 1.873 7.972 ( -0.046 -0.027 3.179) 3.179 8.564 ( -0.166 -0.096 1.537) 1.549 8.903 ( 0.530 0.306 2.731) 2.799 15.877 ( 0.241 0.139 0.533) 0.601 16.142 ( 1.130 0.652 0.103) 1.308 16.491 ( -0.241 -0.139 -0.435) 0.516 17.347 ( -0.285 -0.165 -2.557) 2.578 17.420 ( 1.897 1.095 4.277) 4.805 18.114 ( -2.488 -1.437 -6.114) 6.756 ======================= Grid point 443 (87/124) ======================= q-point: (-0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -1.099 -0.634 0.590) 1.399 2.062 ( -2.070 -1.195 11.374) 11.623 2.342 ( -4.230 -2.442 3.536) 6.030 2.435 ( -0.584 -0.337 -1.924) 2.039 2.702 ( 2.320 1.339 1.120) 2.903 2.811 ( -3.497 -2.019 9.715) 10.521 2.950 ( 0.619 0.357 -0.814) 1.083 3.028 ( -5.668 -3.272 -0.996) 6.620 3.304 ( -4.616 -2.665 1.709) 5.597 3.743 ( 1.299 0.750 2.840) 3.212 3.756 ( 1.570 0.906 -4.569) 4.916 4.156 ( -1.398 -0.807 -6.295) 6.498 5.956 ( 4.021 2.322 -9.309) 10.403 6.223 ( 1.142 0.659 0.477) 1.402 6.510 ( 0.194 0.112 -3.378) 3.385 6.673 ( 2.137 1.234 -1.950) 3.145 7.159 ( -2.564 -1.481 1.460) 3.302 7.364 ( -1.296 -0.748 -1.828) 2.363 8.001 ( 2.457 1.419 3.118) 4.215 8.564 ( 0.172 0.099 1.669) 1.681 8.892 ( -1.550 -0.895 2.289) 2.906 15.881 ( 0.121 0.070 0.393) 0.417 16.129 ( -2.211 -1.276 -0.510) 2.603 16.494 ( 0.555 0.320 -0.366) 0.738 17.343 ( -0.056 -0.032 -2.341) 2.342 17.558 ( 9.701 5.601 3.158) 11.638 18.016 ( -5.919 -3.417 -4.816) 8.361 ======================= Grid point 444 (88/124) ======================= q-point: (-0.30 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -5.780 -3.337 2.686) 7.194 1.898 ( -11.256 -6.499 10.650) 16.803 2.268 ( -2.777 -1.603 6.933) 7.639 2.419 ( -0.753 -0.435 -2.864) 2.993 2.707 ( -2.736 -1.579 -0.960) 3.301 2.723 ( -4.273 -2.467 8.143) 9.521 2.914 ( -2.434 -1.405 2.691) 3.891 3.043 ( 7.078 4.086 0.665) 8.200 3.198 ( -3.870 -2.234 2.150) 4.959 3.759 ( -0.455 -0.263 0.048) 0.528 3.771 ( -0.285 -0.165 -4.181) 4.194 4.098 ( -3.134 -1.809 -7.164) 8.026 6.085 ( 6.839 3.949 -8.197) 11.382 6.268 ( 2.577 1.488 0.290) 2.990 6.513 ( 0.041 0.024 -3.086) 3.087 6.737 ( 3.271 1.889 -1.932) 4.242 7.087 ( -3.388 -1.956 1.423) 4.163 7.320 ( -2.500 -1.444 -1.712) 3.357 8.076 ( 3.703 2.138 2.864) 5.146 8.572 ( 0.471 0.272 1.833) 1.912 8.833 ( -3.385 -1.954 1.833) 4.317 15.882 ( -0.053 -0.031 0.264) 0.271 16.052 ( -3.990 -2.304 -0.467) 4.631 16.516 ( 1.210 0.699 -0.408) 1.456 17.345 ( 0.199 0.115 -2.060) 2.073 17.822 ( 3.020 1.744 -7.776) 8.522 17.864 ( 2.360 1.362 5.678) 6.298 ======================= Grid point 445 (89/124) ======================= q-point: (-0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( -8.265 -4.772 6.182) 11.371 1.583 ( -15.034 -8.680 10.588) 20.334 2.209 ( -1.970 -1.137 12.046) 12.259 2.403 ( -0.614 -0.354 -3.612) 3.681 2.579 ( -6.802 -3.927 -2.486) 8.238 2.606 ( -5.669 -3.273 6.464) 9.199 2.945 ( 4.134 2.387 3.981) 6.216 3.149 ( -0.233 -0.135 1.628) 1.650 3.249 ( 9.992 5.769 1.486) 11.633 3.683 ( -6.545 -3.779 -3.191) 8.203 3.746 ( -1.780 -1.027 -3.414) 3.985 4.041 ( -1.484 -0.857 -6.646) 6.864 6.257 ( 7.497 4.328 -6.836) 11.030 6.335 ( 3.019 1.743 -0.425) 3.512 6.512 ( -0.108 -0.062 -2.787) 2.789 6.820 ( 3.761 2.172 -1.594) 4.627 7.012 ( -2.888 -1.667 1.060) 3.499 7.250 ( -3.483 -2.011 -1.559) 4.313 8.161 ( 3.419 1.974 2.530) 4.689 8.585 ( 0.624 0.360 1.953) 2.082 8.742 ( -4.263 -2.461 1.589) 5.173 15.879 ( -0.211 -0.122 0.194) 0.311 15.959 ( -3.783 -2.184 -0.112) 4.369 16.546 ( 1.342 0.775 -0.349) 1.588 17.352 ( 0.381 0.220 -1.821) 1.873 17.634 ( -8.997 -5.194 -4.108) 11.171 18.167 ( 13.112 7.570 1.429) 15.207 ======================= Grid point 446 (90/124) ======================= q-point: (-0.10 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( -7.057 -4.075 9.647) 12.628 1.256 ( -11.501 -6.640 11.856) 17.803 2.187 ( 0.026 0.015 16.029) 16.029 2.390 ( -0.485 -0.280 -4.027) 4.065 2.440 ( -4.613 -2.663 -2.777) 6.007 2.485 ( -4.120 -2.378 6.059) 7.703 3.069 ( 6.113 3.529 2.795) 7.591 3.178 ( 2.414 1.394 -0.162) 2.793 3.475 ( -10.543 -6.087 -3.256) 12.602 3.480 ( 9.333 5.388 1.019) 10.825 3.694 ( -2.536 -1.464 -2.252) 3.694 4.012 ( -1.482 -0.856 -7.004) 7.210 6.400 ( 2.381 1.375 -1.461) 3.113 6.403 ( 4.316 2.492 -4.893) 6.984 6.512 ( 0.273 0.158 -3.450) 3.464 6.906 ( 3.495 2.018 -0.899) 4.134 6.962 ( -1.292 -0.746 0.500) 1.574 7.163 ( -3.763 -2.173 -1.504) 4.598 8.226 ( 2.014 1.163 2.220) 3.215 8.599 ( 0.530 0.306 1.973) 2.066 8.650 ( -3.243 -1.872 1.691) 4.109 15.873 ( -0.284 -0.164 0.214) 0.391 15.888 ( -2.109 -1.217 0.272) 2.450 16.574 ( 0.994 0.574 -0.245) 1.173 17.361 ( 0.413 0.239 -1.718) 1.784 17.450 ( -6.263 -3.616 -2.594) 7.683 18.418 ( 7.865 4.541 -0.284) 9.086 ======================= Grid point 448 (91/124) ======================= q-point: ( 0.10 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -0.964 11.825 9.645) 15.290 1.569 ( 12.980 11.791 9.935) 20.155 2.175 ( -1.346 1.089 11.233) 11.365 2.418 ( 1.291 1.744 -3.024) 3.722 2.492 ( 0.926 4.578 -0.336) 4.683 2.591 ( 4.377 6.417 4.919) 9.194 2.990 ( -0.324 -3.226 3.085) 4.476 3.225 ( 6.310 -4.386 -0.748) 7.721 3.355 ( -1.203 -11.297 1.945) 11.526 3.569 ( -2.047 8.713 -3.872) 9.752 3.685 ( -3.738 6.420 -0.716) 7.463 4.048 ( 2.055 -0.094 -7.331) 7.615 6.271 ( -5.494 -6.303 -4.864) 9.673 6.395 ( 0.570 -3.352 -2.385) 4.154 6.507 ( -0.261 -0.230 -2.869) 2.890 6.835 ( -3.177 -2.514 -0.919) 4.154 7.005 ( 2.654 0.922 0.241) 2.820 7.227 ( 2.080 3.946 -1.480) 4.699 8.181 ( -1.806 -3.131 2.436) 4.359 8.599 ( 0.436 -0.421 1.858) 1.954 8.701 ( 1.168 4.071 1.884) 4.635 15.872 ( -0.406 0.701 0.304) 0.865 15.930 ( 1.279 2.735 0.355) 3.040 16.554 ( -0.744 -1.302 -0.338) 1.537 17.364 ( 0.583 -0.572 -1.929) 2.095 17.554 ( 2.086 8.256 -2.691) 8.931 18.271 ( -3.943 -11.350 -0.275) 12.019 ======================= Grid point 449 (92/124) ======================= q-point: ( 0.20 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 1.588 13.043 7.429) 15.094 1.851 ( 6.686 5.954 14.370) 16.930 2.213 ( 4.956 2.971 1.276) 5.917 2.457 ( -0.396 4.580 -1.578) 4.861 2.555 ( 2.015 1.349 1.353) 2.777 2.736 ( 5.303 4.995 6.133) 9.523 3.002 ( 3.035 -0.828 0.848) 3.258 3.182 ( -1.431 -9.857 -1.666) 10.099 3.334 ( 6.447 -3.432 1.908) 7.548 3.586 ( -2.238 4.694 -1.530) 5.421 3.715 ( -3.873 10.187 -0.475) 10.909 4.067 ( 1.878 -2.412 -6.935) 7.579 6.109 ( -5.566 -5.677 -6.625) 10.349 6.355 ( -1.618 -2.377 -1.736) 3.359 6.499 ( 0.000 -0.848 -2.795) 2.921 6.758 ( -3.725 -0.498 -1.106) 3.917 7.064 ( 3.872 -0.721 0.198) 3.943 7.302 ( 2.094 3.172 -1.606) 4.126 8.107 ( -2.806 -3.355 2.723) 5.152 8.602 ( -0.366 0.749 1.654) 1.853 8.767 ( 2.379 2.711 2.451) 4.361 15.874 ( -0.357 0.968 0.400) 1.107 15.983 ( 1.998 2.085 0.924) 3.032 16.527 ( -0.850 -1.168 -0.498) 1.528 17.367 ( 0.191 -0.141 -2.113) 2.126 17.634 ( -2.294 4.734 0.463) 5.281 18.110 ( -0.953 -8.782 -3.649) 9.558 ======================= Grid point 450 (93/124) ======================= q-point: ( 0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 1.016 13.280 4.671) 14.114 1.940 ( 1.003 3.110 14.281) 14.650 2.367 ( 7.497 0.942 -1.011) 7.623 2.502 ( -0.476 6.381 -0.890) 6.461 2.571 ( -0.390 -0.956 3.309) 3.466 2.859 ( 3.661 2.559 7.176) 8.453 3.012 ( 0.581 -5.246 -1.738) 5.556 3.121 ( 3.172 -4.282 -3.111) 6.171 3.401 ( 3.580 -2.157 1.964) 4.618 3.616 ( 0.247 5.200 -0.577) 5.238 3.731 ( -4.409 7.624 -0.863) 8.849 4.082 ( 2.925 -2.570 -4.948) 6.296 5.978 ( -3.912 -3.580 -8.483) 10.004 6.298 ( -2.728 -0.942 -0.908) 3.025 6.491 ( 0.459 -1.446 -2.999) 3.360 6.700 ( -3.282 1.199 -1.338) 3.741 7.118 ( 4.082 -2.689 0.449) 4.908 7.359 ( 1.233 2.329 -1.754) 3.166 8.026 ( -2.565 -2.832 2.999) 4.857 8.601 ( -1.313 1.988 1.556) 2.846 8.832 ( 2.801 0.985 2.837) 4.106 15.878 ( -0.350 1.077 0.479) 1.229 16.041 ( 3.028 0.749 1.144) 3.322 16.504 ( -0.539 -0.967 -0.589) 1.254 17.370 ( -0.082 0.939 -1.751) 1.989 17.556 ( -7.767 0.446 3.503) 8.532 18.080 ( 3.561 -4.436 -7.005) 9.023 ======================= Grid point 451 (94/124) ======================= q-point: ( 0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -1.180 12.041 2.177) 12.293 1.997 ( 2.303 2.907 11.429) 12.016 2.446 ( 1.391 0.359 0.796) 1.642 2.509 ( -3.111 -1.309 4.666) 5.759 2.596 ( 2.106 5.207 -1.052) 5.714 2.884 ( -1.267 -2.802 7.144) 7.777 2.970 ( 1.516 -4.998 -1.522) 5.441 3.130 ( 0.724 -3.117 -3.586) 4.806 3.407 ( -0.310 -1.879 1.663) 2.528 3.691 ( 1.804 5.119 -1.734) 5.698 3.732 ( -2.154 4.354 0.495) 4.883 4.113 ( 3.110 -2.339 -4.025) 5.598 5.908 ( -1.204 -1.252 -9.640) 9.795 6.251 ( -2.355 0.666 -0.258) 2.460 6.488 ( 0.927 -1.603 -3.225) 3.719 6.671 ( -2.045 2.475 -1.491) 3.540 7.146 ( 3.074 -4.346 0.809) 5.385 7.389 ( 0.018 1.461 -1.818) 2.333 7.972 ( -0.857 -1.563 3.200) 3.663 8.597 ( -1.795 2.648 1.595) 3.575 8.878 ( 2.044 -0.512 2.816) 3.517 15.883 ( -0.318 0.999 0.504) 1.164 16.096 ( 3.180 -1.137 0.585) 3.428 16.489 ( -0.136 -0.775 -0.516) 0.941 17.394 ( 0.672 3.621 -0.476) 3.714 17.436 ( -5.728 0.743 2.329) 6.228 18.089 ( 1.821 -4.663 -6.576) 8.265 ======================= Grid point 452 (95/124) ======================= q-point: (-0.50 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -4.377 9.141 0.604) 10.153 2.058 ( 1.452 0.539 11.188) 11.294 2.402 ( -5.302 -2.565 3.910) 7.070 2.467 ( -1.486 1.857 -0.226) 2.389 2.678 ( 2.048 2.672 0.893) 3.483 2.816 ( -0.194 -3.894 5.066) 6.393 2.946 ( -0.635 -1.967 1.717) 2.687 3.067 ( -3.281 -4.542 -2.101) 5.985 3.363 ( -3.097 -0.964 1.570) 3.603 3.736 ( -0.799 1.295 -0.490) 1.599 3.771 ( 1.346 4.986 -1.048) 5.270 4.127 ( 1.654 -3.772 -5.075) 6.537 5.913 ( 2.243 0.504 -9.693) 9.962 6.236 ( -0.851 2.012 0.008) 2.185 6.491 ( 1.178 -1.403 -3.254) 3.734 6.679 ( -0.344 3.209 -1.624) 3.613 7.136 ( 1.198 -5.084 1.115) 5.341 7.389 ( -1.284 0.661 -1.807) 2.313 7.971 ( 1.711 -0.055 3.237) 3.661 8.593 ( -1.729 2.647 1.711) 3.595 8.889 ( 0.356 -1.679 2.503) 3.034 15.886 ( -0.304 0.800 0.436) 0.960 16.115 ( 1.115 -2.950 -0.115) 3.156 16.485 ( 0.421 -0.313 -0.401) 0.661 17.376 ( -2.737 1.368 -0.564) 3.111 17.491 ( 4.970 6.902 1.901) 8.715 18.037 ( -1.748 -5.880 -5.567) 8.284 ======================= Grid point 453 (96/124) ======================= q-point: (-0.40 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -8.715 3.648 1.499) 9.566 2.009 ( -6.319 -3.418 11.800) 13.815 2.283 ( -3.209 -3.561 3.900) 6.180 2.457 ( -1.982 2.287 -0.925) 3.164 2.711 ( 0.194 -0.448 1.145) 1.245 2.790 ( -3.847 -0.251 6.272) 7.362 2.946 ( 3.217 -0.739 -0.573) 3.351 2.965 ( -1.869 -1.205 1.307) 2.580 3.283 ( -5.421 0.640 2.266) 5.911 3.723 ( -0.474 -1.741 -0.894) 2.014 3.834 ( -0.478 5.337 -1.817) 5.658 4.089 ( -0.279 -5.640 -6.675) 8.744 5.993 ( 5.815 1.127 -8.698) 10.523 6.262 ( 0.974 2.856 -0.262) 3.029 6.498 ( 1.023 -1.090 -3.024) 3.373 6.721 ( 1.319 3.033 -1.710) 3.723 7.091 ( -0.627 -4.285 1.221) 4.500 7.359 ( -2.529 0.032 -1.745) 3.073 8.025 ( 3.727 0.853 3.061) 4.898 8.591 ( -1.236 2.130 1.832) 3.070 8.857 ( -1.701 -2.364 2.111) 3.597 15.887 ( -0.359 0.495 0.304) 0.683 16.075 ( -1.770 -3.385 -0.192) 3.824 16.499 ( 1.154 0.198 -0.430) 1.247 17.357 ( -1.000 0.930 -1.643) 2.136 17.707 ( 10.555 8.176 2.621) 13.606 17.913 ( -5.405 -5.933 -5.228) 9.578 ======================= Grid point 454 (97/124) ======================= q-point: (-0.30 0.10 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -11.349 -4.502 5.129) 13.243 1.807 ( -12.962 -0.627 10.839) 16.908 2.216 ( -1.702 -2.527 6.888) 7.531 2.443 ( -2.421 2.403 -1.788) 3.852 2.623 ( -5.261 -5.965 -0.963) 8.012 2.708 ( -5.544 0.718 6.302) 8.424 2.935 ( -0.119 3.074 3.124) 4.384 3.106 ( 9.272 3.003 -0.578) 9.763 3.220 ( -2.955 3.911 3.106) 5.802 3.680 ( -1.087 -4.592 -2.221) 5.215 3.820 ( -5.416 -0.098 -2.229) 5.858 4.042 ( 0.466 -1.887 -7.200) 7.458 6.128 ( 8.363 0.328 -6.942) 10.873 6.322 ( 2.278 3.124 -1.190) 4.046 6.504 ( 0.613 -0.701 -2.707) 2.863 6.779 ( 2.663 1.373 -1.556) 3.375 7.038 ( -1.772 -1.637 0.958) 2.596 7.303 ( -3.672 -0.354 -1.624) 4.030 8.106 ( 4.334 0.805 2.750) 5.196 8.593 ( -0.522 1.327 1.897) 2.373 8.787 ( -3.460 -2.256 1.857) 4.529 15.883 ( -0.434 -0.022 0.209) 0.482 16.000 ( -3.241 -2.300 0.127) 3.977 16.526 ( 1.519 0.288 -0.434) 1.605 17.355 ( -0.181 0.738 -1.890) 2.037 17.736 ( -7.590 -5.484 -3.060) 9.851 17.999 ( 13.024 7.047 0.330) 14.812 ======================= Grid point 459 (98/124) ======================= q-point: ( 0.20 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 2.228 14.895 3.788) 15.530 1.963 ( 1.666 5.295 13.814) 14.888 2.259 ( 4.335 1.839 1.046) 4.823 2.510 ( 2.861 0.123 1.634) 3.297 2.642 ( -3.089 6.830 -1.405) 7.627 2.809 ( 4.265 1.973 6.407) 7.946 2.964 ( -1.416 -4.654 0.304) 4.874 3.004 ( 3.780 -4.837 -1.359) 6.287 3.323 ( 4.552 1.575 3.069) 5.712 3.676 ( -1.039 4.067 -0.967) 4.308 3.891 ( -2.165 6.519 -1.416) 7.014 3.998 ( 0.172 -3.755 -6.689) 7.673 5.999 ( -3.372 -4.939 -8.239) 10.180 6.311 ( 0.297 -1.855 -1.437) 2.365 6.479 ( -1.022 -1.090 -2.510) 2.921 6.756 ( -0.909 -0.030 -1.234) 1.533 7.044 ( 0.526 -1.003 0.650) 1.306 7.360 ( 1.468 2.484 -1.738) 3.368 8.034 ( -2.065 -3.655 3.026) 5.175 8.625 ( 1.349 1.393 1.828) 2.665 8.816 ( 0.152 2.030 2.338) 3.100 15.893 ( 0.207 0.848 0.195) 0.894 16.023 ( -0.144 1.812 0.746) 1.965 16.502 ( -0.557 -1.216 -0.526) 1.437 17.371 ( 0.818 0.613 -1.179) 1.560 17.713 ( -7.751 1.743 3.270) 8.591 17.937 ( 5.467 -6.645 -6.948) 11.060 ======================= Grid point 460 (99/124) ======================= q-point: ( 0.30 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -1.157 16.326 2.735) 16.594 2.007 ( 0.185 3.112 12.509) 12.892 2.372 ( 6.069 0.024 2.033) 6.400 2.524 ( -0.199 -1.407 4.028) 4.271 2.672 ( -1.816 7.197 -1.821) 7.643 2.857 ( 0.578 -8.053 -3.482) 8.793 2.892 ( 0.740 0.557 7.751) 7.806 3.049 ( 4.081 -3.394 -2.404) 5.827 3.380 ( 1.272 -0.689 2.882) 3.224 3.724 ( 0.966 5.186 -1.572) 5.505 3.856 ( -6.219 4.577 -2.816) 8.219 4.013 ( 4.491 -3.899 -2.915) 6.623 5.917 ( -1.792 -2.330 -9.546) 9.988 6.297 ( -1.254 0.869 -1.125) 1.896 6.453 ( 0.178 -2.322 -2.570) 3.468 6.745 ( -2.105 3.180 -0.998) 3.942 7.040 ( 2.421 -4.737 0.515) 5.345 7.399 ( 0.638 1.565 -1.830) 2.492 7.971 ( -1.373 -2.480 3.272) 4.329 8.658 ( -0.620 3.403 1.802) 3.900 8.836 ( 1.367 -0.710 2.634) 3.051 15.905 ( -0.348 1.551 0.250) 1.609 16.036 ( 1.408 -1.230 0.783) 2.027 16.484 ( -0.288 -0.915 -0.530) 1.095 17.396 ( 0.904 1.213 1.839) 2.381 17.595 ( -7.495 3.643 0.285) 8.338 17.969 ( 4.601 -6.280 -6.865) 10.380 ======================= Grid point 461 (100/124) ======================= q-point: ( 0.40 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( -4.828 12.220 3.403) 13.573 2.050 ( -0.127 3.195 9.995) 10.494 2.435 ( 0.821 -1.609 3.659) 4.080 2.500 ( -1.427 0.318 2.770) 3.132 2.687 ( -0.337 -1.775 0.290) 1.830 2.789 ( -1.031 1.157 -3.554) 3.878 2.916 ( 1.614 -1.521 7.703) 8.016 3.048 ( 0.138 -4.937 -3.423) 6.009 3.375 ( 0.053 -1.203 2.411) 2.695 3.788 ( -1.203 3.098 -7.700) 8.387 3.814 ( -1.534 4.867 3.647) 6.273 4.039 ( 3.088 -4.845 -2.836) 6.408 5.891 ( 0.393 -0.491 -10.059) 10.079 6.286 ( -1.962 2.611 -0.788) 3.360 6.444 ( 1.723 -2.619 -2.719) 4.150 6.746 ( -2.426 4.652 -0.973) 5.336 7.034 ( 3.289 -6.258 0.592) 7.095 7.412 ( -0.486 0.788 -1.845) 2.064 7.945 ( 0.562 -1.011 3.386) 3.578 8.667 ( -2.535 3.953 1.911) 5.070 8.849 ( 1.762 -2.352 2.548) 3.889 15.910 ( -0.958 1.693 0.369) 1.980 16.048 ( 2.399 -3.178 0.305) 3.993 16.475 ( 0.185 -0.490 -0.463) 0.699 17.412 ( -0.296 -0.155 5.221) 5.232 17.559 ( -3.161 8.933 -3.781) 10.202 17.960 ( 2.458 -7.687 -5.883) 9.987 ======================= Grid point 463 (101/124) ======================= q-point: (-0.50 0.20 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -10.815 5.552 0.947) 12.193 2.043 ( -1.313 -1.684 12.743) 12.920 2.335 ( -5.934 -3.087 3.268) 7.445 2.501 ( -0.137 1.476 2.313) 2.747 2.706 ( 1.647 1.164 1.005) 2.253 2.813 ( 0.607 1.590 -2.715) 3.204 2.904 ( -0.704 -1.920 4.386) 4.839 2.989 ( -1.141 -1.237 0.165) 1.691 3.359 ( -1.885 0.528 2.407) 3.102 3.747 ( -3.242 -0.308 -1.563) 3.612 3.888 ( 1.223 6.309 -2.005) 6.732 4.013 ( 0.840 -7.242 -4.291) 8.459 5.920 ( 3.144 0.119 -9.559) 10.063 6.286 ( -0.716 2.349 -0.964) 2.638 6.457 ( 2.055 -1.569 -2.619) 3.680 6.752 ( -1.349 2.982 -1.112) 3.456 7.032 ( 2.437 -3.897 0.734) 4.654 7.399 ( -1.696 0.277 -1.814) 2.498 7.970 ( 2.809 -0.008 3.294) 4.329 8.652 ( -2.816 2.537 1.960) 4.267 8.845 ( 0.346 -2.165 2.357) 3.219 15.906 ( -0.993 0.896 0.290) 1.369 16.049 ( 0.952 -2.843 0.291) 3.012 16.482 ( 0.850 -0.026 -0.469) 0.971 17.391 ( -1.679 0.380 1.420) 2.231 17.649 ( 3.691 5.746 0.629) 6.859 17.911 ( -0.303 -4.346 -6.500) 7.825 ======================= Grid point 471 (102/124) ======================= q-point: ( 0.30 0.30 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -0.142 0.601 12.831) 12.845 2.192 ( 4.962 10.453 1.774) 11.706 2.372 ( -0.674 -1.066 3.604) 3.818 2.516 ( 1.364 1.743 2.280) 3.177 2.637 ( -2.243 -6.894 -1.410) 7.386 2.865 ( 1.410 5.257 -4.355) 6.970 2.892 ( -0.580 -0.255 9.565) 9.586 2.978 ( 0.057 -3.215 -3.076) 4.450 3.363 ( -0.330 -0.767 2.878) 2.997 3.814 ( 1.817 3.376 -6.775) 7.785 3.905 ( -0.988 -0.380 -2.032) 2.291 3.946 ( -0.554 -1.566 1.266) 2.089 5.886 ( -0.477 -0.778 -10.202) 10.243 6.330 ( 1.438 2.114 -1.445) 2.937 6.402 ( -1.602 -2.504 -2.113) 3.647 6.820 ( 2.038 3.803 -0.489) 4.342 6.942 ( -2.373 -4.414 0.207) 5.016 7.420 ( 0.320 0.537 -1.868) 1.969 7.934 ( -0.564 -0.988 3.462) 3.644 8.727 ( 1.966 3.071 2.127) 4.221 8.806 ( -1.415 -2.047 2.395) 3.454 15.939 ( 1.089 1.757 0.263) 2.083 15.999 ( -1.432 -2.078 0.389) 2.553 16.471 ( -0.164 -0.329 -0.471) 0.598 17.411 ( 0.241 0.309 5.468) 5.482 17.691 ( 1.474 4.850 -3.881) 6.384 17.844 ( -1.735 -5.367 -6.014) 8.245 ======================= Grid point 545 (103/124) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 -0.000 5.121) 5.121 1.310 ( 0.000 0.000 5.121) 5.121 2.316 ( 0.000 -0.000 -2.290) 2.290 2.316 ( -0.000 0.000 -2.290) 2.290 2.444 ( 0.000 0.000 6.850) 6.850 2.518 ( 0.000 0.000 2.230) 2.230 3.214 ( 0.000 -0.000 -0.864) 0.864 3.214 ( 0.000 0.000 -0.864) 0.864 3.263 ( 0.000 0.000 2.268) 2.268 3.625 ( 0.000 -0.000 -0.264) 0.264 3.625 ( 0.000 -0.000 -0.264) 0.264 3.860 ( 0.000 0.000 -4.124) 4.124 6.408 ( 0.000 -0.000 -0.813) 0.813 6.408 ( 0.000 0.000 -0.813) 0.813 6.451 ( 0.000 0.000 -1.850) 1.850 6.954 ( 0.000 0.000 -0.020) 0.020 6.954 ( -0.000 0.000 -0.020) 0.020 7.080 ( 0.000 0.000 -0.680) 0.680 8.276 ( 0.000 0.000 0.670) 0.670 8.633 ( 0.000 0.000 0.685) 0.685 8.633 ( 0.000 0.000 0.685) 0.685 15.871 ( 0.000 -0.000 0.122) 0.122 15.871 ( 0.000 0.000 0.122) 0.122 16.584 ( 0.000 -0.000 -0.076) 0.076 17.345 ( 0.000 -0.000 -0.672) 0.672 17.345 ( -0.000 -0.000 -0.672) 0.672 18.499 ( 0.000 0.000 -0.334) 0.334 ======================= Grid point 546 (104/124) ======================= q-point: ( 0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 2.901 1.675 6.802) 7.582 1.491 ( 13.336 7.700 2.775) 15.647 2.309 ( -1.444 -0.834 0.532) 1.750 2.332 ( 1.004 0.580 -2.381) 2.648 2.459 ( 2.307 1.332 4.051) 4.849 2.571 ( 4.517 2.608 2.191) 5.657 3.101 ( -4.305 -2.485 1.905) 5.323 3.243 ( 1.345 0.777 -3.529) 3.856 3.380 ( 4.905 2.832 1.540) 5.869 3.542 ( -5.612 -3.240 -1.868) 6.745 3.613 ( -0.228 -0.132 1.771) 1.790 3.912 ( 3.065 1.770 -3.772) 5.172 6.321 ( -6.216 -3.589 -1.001) 7.247 6.400 ( -1.021 -0.589 -1.404) 1.833 6.464 ( 0.416 0.240 -1.125) 1.223 6.883 ( -4.382 -2.530 0.144) 5.062 6.981 ( 2.129 1.229 -0.439) 2.497 7.141 ( 3.733 2.155 -0.487) 4.338 8.254 ( -1.882 -1.086 0.714) 2.287 8.630 ( -0.355 -0.205 0.519) 0.661 8.668 ( 2.840 1.640 0.883) 3.397 15.870 ( 0.038 0.022 0.327) 0.330 15.895 ( 1.908 1.101 -0.018) 2.203 16.571 ( -1.054 -0.609 -0.091) 1.221 17.344 ( -0.179 -0.103 -0.932) 0.955 17.406 ( 4.945 2.855 -0.554) 5.737 18.418 ( -6.594 -3.807 -0.303) 7.620 ======================= Grid point 547 (105/124) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 4.818 2.782 7.119) 9.035 1.855 ( 16.576 9.570 1.230) 19.180 2.247 ( -3.195 -1.844 4.021) 5.456 2.358 ( 1.236 0.714 -2.029) 2.481 2.551 ( 4.720 2.725 1.420) 5.632 2.714 ( 7.307 4.219 1.989) 8.669 3.031 ( -1.671 -0.965 0.394) 1.970 3.281 ( 2.030 1.172 -5.562) 6.035 3.316 ( -7.846 -4.530 -2.116) 9.303 3.562 ( 5.128 2.961 2.478) 6.419 3.610 ( -0.150 -0.087 3.438) 3.443 3.972 ( 2.126 1.227 -3.468) 4.248 6.145 ( -8.372 -4.834 -1.400) 9.768 6.363 ( -2.120 -1.224 -1.563) 2.904 6.468 ( 0.034 0.020 -0.909) 0.910 6.780 ( -4.283 -2.473 0.180) 4.949 7.047 ( 3.377 1.950 -0.636) 3.951 7.226 ( 3.404 1.965 -0.476) 3.959 8.193 ( -3.217 -1.857 0.805) 3.801 8.618 ( -0.621 -0.359 0.404) 0.823 8.751 ( 4.030 2.327 1.196) 4.805 15.872 ( 0.145 0.084 0.470) 0.499 15.954 ( 3.035 1.752 0.246) 3.514 16.541 ( -1.384 -0.799 -0.150) 1.605 17.337 ( -0.393 -0.227 -1.148) 1.235 17.543 ( 5.930 3.423 0.108) 6.848 18.221 ( -9.445 -5.453 -1.108) 10.962 ======================= Grid point 548 (106/124) ======================= q-point: ( 0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 4.524 2.612 5.938) 7.909 2.168 ( 0.829 0.478 11.875) 11.913 2.223 ( 10.157 5.864 -6.073) 13.208 2.388 ( 1.233 0.712 -1.479) 2.053 2.640 ( 2.331 1.346 2.100) 3.414 2.884 ( 6.764 3.905 1.974) 8.056 3.017 ( 0.008 0.005 -1.873) 1.873 3.150 ( -5.542 -3.200 -3.705) 7.395 3.337 ( 2.652 1.531 -6.210) 6.924 3.604 ( -0.281 -0.162 4.142) 4.155 3.666 ( 3.578 2.066 3.654) 5.516 4.020 ( 2.112 1.220 -2.533) 3.517 5.957 ( -7.353 -4.245 -2.201) 8.771 6.307 ( -2.555 -1.475 -1.250) 3.204 6.467 ( -0.163 -0.094 -0.919) 0.938 6.691 ( -3.245 -1.874 0.022) 3.747 7.128 ( 3.325 1.919 -0.502) 3.872 7.294 ( 2.459 1.420 -0.577) 2.898 8.113 ( -3.497 -2.019 0.897) 4.136 8.603 ( -0.629 -0.363 0.377) 0.818 8.843 ( 3.623 2.092 1.417) 4.417 15.877 ( 0.193 0.112 0.496) 0.544 16.030 ( 3.410 1.969 0.710) 4.001 16.511 ( -1.102 -0.636 -0.259) 1.298 17.327 ( -0.455 -0.263 -1.239) 1.346 17.620 ( -0.682 -0.394 2.612) 2.728 18.045 ( -4.073 -2.351 -3.804) 6.048 ======================= Grid point 549 (107/124) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 3.087 1.783 3.504) 4.998 2.146 ( -0.296 -0.171 7.094) 7.102 2.412 ( 0.771 0.445 -0.973) 1.319 2.462 ( 8.240 4.757 -2.362) 9.803 2.642 ( -2.170 -1.253 3.336) 4.172 2.996 ( -1.955 -1.129 -2.069) 3.062 3.006 ( 3.435 1.983 2.967) 4.953 3.089 ( -0.145 -0.084 -4.162) 4.165 3.388 ( 1.286 0.743 -4.546) 4.783 3.606 ( 0.689 0.398 2.398) 2.527 3.732 ( 2.174 1.255 3.162) 4.037 4.068 ( 1.792 1.035 -1.688) 2.671 5.821 ( -4.154 -2.399 -3.050) 5.684 6.253 ( -1.933 -1.116 -0.591) 2.309 6.462 ( -0.157 -0.091 -1.014) 1.030 6.633 ( -1.659 -0.958 -0.325) 1.943 7.192 ( 2.005 1.158 -0.092) 2.317 7.338 ( 1.279 0.739 -0.671) 1.623 8.042 ( -2.364 -1.365 0.988) 2.903 8.591 ( -0.409 -0.236 0.438) 0.644 8.911 ( 2.188 1.263 1.327) 2.854 15.881 ( 0.173 0.100 0.395) 0.442 16.104 ( 2.675 1.545 0.708) 3.170 16.492 ( -0.536 -0.309 -0.310) 0.692 17.318 ( -0.347 -0.201 -1.168) 1.235 17.529 ( -4.947 -2.856 2.740) 6.335 18.031 ( 1.092 0.630 -3.819) 4.021 ======================= Grid point 550 (108/124) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 1.177 0.679 0.630) 1.498 2.164 ( 1.680 0.970 3.543) 4.039 2.420 ( -0.092 -0.053 -0.704) 0.712 2.551 ( -5.281 -3.049 3.988) 7.286 2.612 ( 4.874 2.814 -1.657) 5.867 2.955 ( -1.110 -0.641 -0.619) 1.423 3.035 ( -0.932 -0.538 5.117) 5.229 3.082 ( -1.230 -0.710 -1.716) 2.227 3.387 ( -1.335 -0.771 -1.239) 1.978 3.636 ( 1.648 0.951 -1.594) 2.482 3.767 ( 0.791 0.457 1.700) 1.930 4.092 ( 0.164 0.095 -1.862) 1.872 5.773 ( 0.134 0.077 -3.572) 3.575 6.225 ( -0.344 -0.199 0.201) 0.445 6.461 ( 0.059 0.034 -1.145) 1.147 6.616 ( 0.192 0.111 -0.753) 0.785 7.213 ( -0.219 -0.126 0.429) 0.498 7.353 ( 0.009 0.005 -0.715) 0.715 8.013 ( -0.013 -0.008 1.053) 1.053 8.585 ( -0.062 -0.036 0.561) 0.566 8.940 ( 0.187 0.108 0.962) 0.986 15.884 ( 0.093 0.054 0.203) 0.229 16.142 ( 0.364 0.210 -0.024) 0.421 16.485 ( -0.083 -0.048 -0.161) 0.188 17.312 ( -0.110 -0.064 -0.960) 0.968 17.471 ( 0.799 0.461 1.162) 1.483 18.038 ( -0.982 -0.567 -1.809) 2.135 ======================= Grid point 552 (109/124) ======================= q-point: (-0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -1.266 -0.731 -1.468) 2.072 2.198 ( 0.100 0.058 2.226) 2.229 2.407 ( -0.995 -0.575 -0.651) 1.321 2.409 ( -6.322 -3.650 3.059) 7.916 2.691 ( 1.680 0.970 -1.847) 2.679 2.962 ( 1.948 1.125 1.575) 2.746 2.974 ( -4.042 -2.334 6.056) 7.646 3.028 ( -2.803 -1.619 1.562) 3.594 3.330 ( -3.405 -1.966 1.396) 4.173 3.671 ( 1.201 0.693 -4.017) 4.249 3.768 ( -0.658 -0.380 -0.357) 0.839 4.071 ( -1.985 -1.146 -2.241) 3.205 5.827 ( 4.428 2.556 -3.664) 6.290 6.238 ( 1.377 0.795 0.868) 1.812 6.465 ( 0.241 0.139 -1.241) 1.272 6.642 ( 1.973 1.139 -1.135) 2.545 7.182 ( -2.363 -1.364 0.871) 2.864 7.338 ( -1.253 -0.723 -0.717) 1.615 8.042 ( 2.354 1.359 1.039) 2.910 8.588 ( 0.303 0.175 0.711) 0.793 8.919 ( -1.918 -1.107 0.528) 2.276 15.885 ( -0.023 -0.013 -0.006) 0.027 16.117 ( -2.409 -1.391 -0.652) 2.857 16.490 ( 0.527 0.304 -0.059) 0.612 17.313 ( 0.170 0.098 -0.695) 0.722 17.570 ( 7.050 4.071 -1.313) 8.246 17.983 ( -3.333 -1.925 0.936) 3.961 ======================= Grid point 553 (110/124) ======================= q-point: (-0.30 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -4.019 -2.320 -1.704) 4.944 2.080 ( -10.533 -6.082 8.321) 14.737 2.324 ( -0.929 -0.536 -2.740) 2.942 2.378 ( -1.399 -0.808 -0.826) 1.815 2.670 ( -3.570 -2.061 -1.715) 4.464 2.856 ( -6.027 -3.480 4.734) 8.417 2.971 ( -0.241 -0.139 2.809) 2.822 3.079 ( 6.981 4.030 3.089) 8.632 3.246 ( -3.260 -1.882 3.158) 4.913 3.687 ( 0.141 0.081 -4.351) 4.354 3.731 ( -2.925 -1.689 -2.708) 4.329 4.011 ( -2.755 -1.590 -1.827) 3.668 5.970 ( 7.571 4.371 -3.424) 9.389 6.283 ( 2.355 1.360 1.115) 2.939 6.470 ( 0.184 0.106 -1.248) 1.266 6.705 ( 3.351 1.935 -1.295) 4.080 7.112 ( -3.464 -2.000 1.068) 4.140 7.295 ( -2.424 -1.399 -0.697) 2.884 8.113 ( 3.512 2.028 0.938) 4.162 8.599 ( 0.579 0.334 0.839) 1.072 8.854 ( -3.601 -2.079 0.256) 4.166 15.883 ( -0.138 -0.080 -0.149) 0.218 16.042 ( -3.716 -2.145 -0.548) 4.326 16.510 ( 1.179 0.681 -0.131) 1.368 17.319 ( 0.390 0.225 -0.477) 0.656 17.691 ( -0.720 -0.416 -5.014) 5.082 17.969 ( 5.676 3.277 4.433) 7.912 ======================= Grid point 554 (111/124) ======================= q-point: (-0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -5.646 -3.260 -0.028) 6.520 1.772 ( -14.876 -8.589 8.220) 19.043 2.322 ( 0.466 0.269 -1.149) 1.269 2.347 ( -1.191 -0.687 -1.311) 1.900 2.554 ( -5.541 -3.199 0.441) 6.413 2.703 ( -6.703 -3.870 3.062) 8.323 3.010 ( 3.316 1.915 2.484) 4.564 3.195 ( -1.048 -0.605 3.261) 3.478 3.277 ( 9.416 5.437 1.702) 11.005 3.617 ( -6.747 -3.895 -3.240) 8.438 3.678 ( -0.890 -0.514 -3.529) 3.675 3.957 ( -1.978 -1.142 -1.904) 2.973 6.160 ( 8.371 4.833 -2.950) 10.106 6.339 ( 2.352 1.358 0.784) 2.826 6.472 ( -0.062 -0.036 -1.206) 1.209 6.793 ( 4.140 2.390 -1.109) 4.907 7.032 ( -3.231 -1.866 0.929) 3.845 7.227 ( -3.396 -1.961 -0.656) 3.976 8.193 ( 3.228 1.864 0.808) 3.814 8.613 ( 0.654 0.378 0.889) 1.167 8.760 ( -4.227 -2.440 0.268) 4.888 15.879 ( -0.204 -0.118 -0.173) 0.292 15.957 ( -3.407 -1.967 -0.095) 3.935 16.541 ( 1.405 0.811 -0.146) 1.629 17.330 ( 0.462 0.267 -0.390) 0.661 17.567 ( -7.295 -4.212 -2.454) 8.773 18.197 ( 11.057 6.384 1.455) 12.850 ======================= Grid point 555 (112/124) ======================= q-point: (-0.10 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -4.582 -2.646 2.575) 5.885 1.447 ( -11.571 -6.680 6.923) 15.048 2.324 ( -0.755 -0.436 -1.880) 2.073 2.330 ( -0.302 -0.174 -1.213) 1.262 2.456 ( -2.080 -1.201 4.380) 4.995 2.570 ( -4.318 -2.493 2.358) 5.516 3.110 ( 5.005 2.889 1.056) 5.875 3.193 ( 0.601 0.347 1.636) 1.777 3.415 ( -6.103 -3.524 -2.175) 7.376 3.510 ( 5.965 3.444 1.416) 7.031 3.651 ( -1.276 -0.737 -2.119) 2.581 3.906 ( -2.578 -1.488 -3.142) 4.328 6.332 ( 5.875 3.392 -2.177) 7.125 6.386 ( 1.565 0.903 0.024) 1.807 6.466 ( -0.510 -0.295 -1.285) 1.414 6.891 ( 4.104 2.370 -0.646) 4.783 6.972 ( -1.765 -1.019 0.497) 2.098 7.142 ( -3.798 -2.193 -0.605) 4.427 8.254 ( 1.878 1.084 0.710) 2.282 8.627 ( 0.467 0.270 0.831) 0.990 8.672 ( -3.051 -1.761 0.482) 3.555 15.874 ( -0.186 -0.108 -0.069) 0.226 15.893 ( -1.952 -1.127 0.205) 2.264 16.571 ( 1.048 0.605 -0.097) 1.214 17.339 ( 0.354 0.204 -0.465) 0.619 17.412 ( -5.341 -3.084 -1.190) 6.281 18.415 ( 6.971 4.025 0.007) 8.049 ======================= Grid point 557 (113/124) ======================= q-point: ( 0.10 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 1.046 8.012 4.679) 9.337 1.709 ( 11.432 13.150 3.900) 17.855 2.288 ( -2.979 -1.035 1.689) 3.577 2.365 ( 1.410 2.509 -2.385) 3.738 2.504 ( 2.113 3.415 1.775) 4.391 2.671 ( 4.271 6.806 2.381) 8.381 3.039 ( -1.376 -3.313 1.606) 3.930 3.209 ( 1.712 -2.654 -0.621) 3.219 3.385 ( -1.441 -8.624 1.005) 8.802 3.508 ( -0.364 6.610 -1.977) 6.909 3.677 ( 0.192 4.776 -0.203) 4.784 3.944 ( 1.349 0.992 -2.994) 3.431 6.202 ( -5.243 -7.838 -1.887) 9.617 6.367 ( -0.269 -2.332 -0.643) 2.434 6.468 ( -0.135 0.077 -1.043) 1.054 6.822 ( -2.546 -3.289 -0.368) 4.176 7.008 ( 1.750 1.715 0.075) 2.451 7.207 ( 2.131 3.832 -0.551) 4.419 8.212 ( -1.708 -2.955 0.779) 3.500 8.624 ( 0.097 -0.271 0.676) 0.735 8.727 ( 1.802 3.837 0.690) 4.295 15.876 ( -0.057 0.437 0.128) 0.459 15.934 ( 1.548 2.727 0.093) 3.137 16.550 ( -0.807 -1.389 -0.131) 1.611 17.337 ( 0.112 -0.421 -0.720) 0.842 17.514 ( 3.341 7.272 -1.135) 8.083 18.271 ( -5.221 -10.373 0.092) 11.613 ======================= Grid point 558 (114/124) ======================= q-point: ( 0.20 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 1.589 9.855 5.338) 11.320 2.045 ( 13.236 8.515 2.982) 16.018 2.224 ( -3.001 -0.235 2.631) 3.998 2.417 ( -0.005 5.031 -2.034) 5.427 2.588 ( 4.069 1.187 1.421) 4.471 2.822 ( 5.209 5.387 2.160) 7.799 3.011 ( 0.350 -0.612 -0.150) 0.721 3.133 ( -2.269 -9.554 -2.547) 10.145 3.345 ( 1.086 1.354 -1.612) 2.369 3.561 ( 1.576 1.762 0.625) 2.445 3.735 ( -1.542 7.584 1.890) 7.967 3.972 ( 2.573 -1.337 -2.848) 4.064 6.022 ( -6.249 -6.936 -2.151) 9.580 6.329 ( -1.518 -1.910 -1.048) 2.655 6.463 ( -0.133 -0.572 -0.858) 1.040 6.746 ( -3.618 -0.862 -0.117) 3.721 7.064 ( 3.570 -0.178 -0.272) 3.585 7.280 ( 2.028 3.041 -0.584) 3.702 8.141 ( -2.689 -3.173 0.875) 4.250 8.623 ( -0.618 0.884 0.476) 1.179 8.803 ( 2.991 2.540 1.120) 4.081 15.881 ( -0.078 0.673 0.304) 0.743 15.995 ( 2.509 2.129 0.397) 3.315 16.520 ( -0.956 -1.229 -0.204) 1.570 17.335 ( -0.147 0.170 -1.006) 1.030 17.637 ( 1.718 5.523 0.480) 5.803 18.065 ( -5.097 -9.611 -1.578) 10.992 ======================= Grid point 559 (115/124) ======================= q-point: ( 0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -0.314 10.828 4.146) 11.599 2.168 ( -1.717 0.616 8.016) 8.221 2.330 ( 9.771 3.869 -2.060) 10.709 2.467 ( -0.685 6.856 -1.865) 7.138 2.639 ( 1.176 -1.132 2.903) 3.331 2.947 ( 5.067 1.712 1.169) 5.474 2.975 ( -1.448 -6.715 -2.339) 7.257 3.065 ( 1.935 -1.290 -1.853) 2.973 3.388 ( 0.807 2.121 -3.322) 4.023 3.599 ( 1.017 1.456 1.331) 2.220 3.765 ( -2.050 5.485 2.735) 6.463 4.017 ( 3.764 -1.333 -1.908) 4.426 5.865 ( -4.709 -4.528 -2.848) 7.127 6.282 ( -2.111 -0.781 -0.842) 2.403 6.454 ( 0.128 -1.187 -0.850) 1.465 6.684 ( -3.504 1.170 -0.198) 3.700 7.121 ( 4.244 -2.397 -0.187) 4.878 7.335 ( 1.176 2.254 -0.663) 2.627 8.065 ( -2.467 -2.653 0.972) 3.751 8.621 ( -1.374 2.104 0.427) 2.548 8.873 ( 2.996 0.813 1.308) 3.369 15.886 ( -0.187 0.820 0.337) 0.906 16.058 ( 3.066 0.533 0.677) 3.185 16.495 ( -0.581 -0.940 -0.283) 1.141 17.339 ( -0.343 1.760 -1.092) 2.099 17.618 ( -6.889 0.090 3.003) 7.516 17.975 ( 2.940 -4.486 -4.143) 6.777 ======================= Grid point 560 (116/124) ======================= q-point: ( 0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -3.020 10.633 1.836) 11.205 2.162 ( -0.033 1.693 5.322) 5.585 2.446 ( 0.361 2.820 -0.182) 2.849 2.563 ( 3.918 5.112 -2.502) 6.910 2.603 ( -3.080 -1.924 4.188) 5.543 2.896 ( 1.219 -8.172 -1.881) 8.474 3.032 ( 3.012 0.355 1.804) 3.529 3.076 ( -0.167 -1.307 -0.391) 1.374 3.399 ( -0.608 -0.117 -2.116) 2.205 3.631 ( 0.749 1.954 -0.892) 2.275 3.788 ( -0.822 3.705 2.323) 4.450 4.059 ( 2.495 -1.687 -1.461) 3.347 5.778 ( -1.552 -1.731 -3.457) 4.166 6.247 ( -1.674 0.639 -0.252) 1.809 6.447 ( 0.626 -1.414 -0.994) 1.839 6.651 ( -2.405 2.641 -0.476) 3.604 7.156 ( 3.458 -4.281 0.146) 5.505 7.364 ( 0.010 1.459 -0.690) 1.614 8.013 ( -0.824 -1.425 1.055) 1.955 8.618 ( -1.764 2.825 0.522) 3.371 8.917 ( 1.879 -0.744 1.128) 2.314 15.890 ( -0.308 0.833 0.253) 0.923 16.105 ( 2.599 -1.539 0.349) 3.041 16.482 ( -0.030 -0.678 -0.236) 0.719 17.362 ( -1.192 4.943 -1.199) 5.224 17.493 ( -4.528 -1.055 2.094) 5.099 17.998 ( 2.909 -3.803 -2.787) 5.540 ======================= Grid point 561 (117/124) ======================= q-point: (-0.50 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -5.571 8.682 -0.471) 10.326 2.193 ( 0.961 1.574 2.532) 3.133 2.445 ( -3.290 0.652 0.141) 3.357 2.499 ( -5.677 -0.612 3.715) 6.812 2.665 ( 2.630 2.350 -2.094) 4.102 2.862 ( 4.129 -6.738 1.550) 8.052 3.023 ( -2.977 -3.322 1.302) 4.647 3.053 ( -0.616 -0.112 2.956) 3.022 3.375 ( -2.020 -0.091 0.099) 2.024 3.660 ( 0.646 0.896 -3.436) 3.609 3.803 ( -1.318 3.052 0.868) 3.435 4.061 ( 0.332 -3.180 -1.715) 3.628 5.780 ( 2.511 0.522 -3.680) 4.486 6.240 ( -0.310 1.610 0.362) 1.679 6.448 ( 1.033 -1.158 -1.151) 1.932 6.655 ( -0.757 3.487 -0.804) 3.657 7.152 ( 1.614 -5.226 0.528) 5.495 7.364 ( -1.273 0.699 -0.671) 1.600 8.013 ( 1.626 -0.004 1.079) 1.952 8.616 ( -1.688 2.857 0.680) 3.387 8.921 ( 0.033 -1.877 0.750) 2.022 15.892 ( -0.409 0.705 0.102) 0.821 16.111 ( 0.580 -2.910 -0.298) 2.982 16.480 ( 0.494 -0.327 -0.102) 0.602 17.357 ( -3.681 3.146 -0.625) 4.882 17.514 ( 4.686 4.529 -0.024) 6.517 17.977 ( -0.138 -5.287 -0.729) 5.339 ======================= Grid point 562 (118/124) ======================= q-point: (-0.40 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -7.785 4.939 -1.437) 9.331 2.180 ( -4.769 -1.683 5.672) 7.599 2.326 ( -3.860 -4.096 -0.065) 5.629 2.450 ( -3.898 3.870 0.031) 5.493 2.686 ( -1.029 -1.900 -2.309) 3.162 2.900 ( 0.593 -2.547 4.687) 5.367 2.946 ( 2.874 -2.254 0.611) 3.703 3.022 ( -2.113 0.163 3.424) 4.026 3.325 ( -4.245 1.588 2.470) 5.161 3.661 ( -0.259 -1.696 -4.212) 4.548 3.809 ( -2.314 4.205 -1.536) 5.039 4.010 ( -1.096 -4.753 -1.558) 5.121 5.872 ( 6.559 1.635 -3.472) 7.599 6.267 ( 1.258 1.822 0.625) 2.301 6.457 ( 0.990 -0.714 -1.175) 1.695 6.693 ( 1.023 3.440 -1.032) 3.734 7.111 ( -0.370 -4.667 0.778) 4.746 7.335 ( -2.497 0.083 -0.653) 2.583 8.064 ( 3.529 0.824 1.014) 3.763 8.617 ( -1.200 2.244 0.803) 2.668 8.882 ( -2.013 -2.339 0.451) 3.119 15.890 ( -0.471 0.453 -0.040) 0.655 16.069 ( -1.900 -2.763 -0.441) 3.381 16.494 ( 1.129 0.106 -0.117) 1.140 17.334 ( -1.404 1.295 -0.534) 1.983 17.682 ( 5.267 6.769 -3.497) 9.262 17.907 ( 0.361 -5.336 2.827) 6.049 ======================= Grid point 563 (119/124) ======================= q-point: (-0.30 0.10 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -8.941 -0.256 0.548) 8.962 1.980 ( -13.806 -1.931 6.999) 15.599 2.280 ( 1.154 -2.889 -0.260) 3.122 2.415 ( -4.077 2.742 -1.646) 5.181 2.600 ( -4.128 -4.041 -0.438) 5.793 2.810 ( -6.714 -0.655 3.353) 7.534 2.989 ( 0.454 1.455 2.121) 2.612 3.102 ( 9.408 0.047 0.532) 9.423 3.286 ( -2.341 4.253 3.612) 6.051 3.614 ( -1.736 -4.415 -3.906) 6.145 3.776 ( -5.841 2.094 -2.214) 6.588 3.959 ( 0.032 -2.400 -1.584) 2.875 6.029 ( 9.357 1.325 -2.870) 9.876 6.315 ( 2.176 1.523 0.290) 2.672 6.466 ( 0.563 -0.360 -1.095) 1.283 6.754 ( 2.680 2.059 -0.934) 3.507 7.054 ( -1.795 -2.443 0.676) 3.106 7.280 ( -3.598 -0.288 -0.627) 3.664 8.141 ( 4.101 0.755 0.890) 4.264 8.620 ( -0.479 1.211 0.813) 1.535 8.809 ( -3.672 -1.857 0.435) 4.137 15.885 ( -0.468 0.090 -0.063) 0.481 16.000 ( -3.261 -1.566 -0.116) 3.620 16.520 ( 1.574 0.248 -0.167) 1.602 17.331 ( -0.143 0.590 -0.565) 0.829 17.668 ( -7.157 -1.618 -2.865) 7.877 18.032 ( 12.496 2.694 1.978) 12.936 ======================= Grid point 568 (120/124) ======================= q-point: ( 0.20 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 3.778 11.122 1.756) 11.877 2.176 ( 4.673 3.992 7.537) 9.725 2.255 ( 0.336 4.141 -1.328) 4.362 2.528 ( 4.291 4.144 -0.385) 5.978 2.619 ( -1.407 2.982 -0.395) 3.321 2.890 ( 2.018 0.301 2.210) 3.008 2.935 ( -3.267 -8.141 -1.907) 8.976 3.029 ( 2.096 1.838 2.035) 3.452 3.371 ( 3.269 1.335 1.555) 3.859 3.619 ( -0.563 3.085 -3.045) 4.371 3.876 ( -1.114 5.990 0.107) 6.094 3.927 ( 1.767 -2.621 -1.603) 3.544 5.887 ( -3.754 -6.113 -3.058) 7.798 6.294 ( -0.230 -1.366 -0.372) 1.434 6.446 ( -0.808 -1.106 -0.872) 1.624 6.738 ( -0.446 -0.146 -0.499) 0.685 7.052 ( 0.004 -0.679 0.232) 0.718 7.336 ( 1.406 2.412 -0.653) 2.867 8.073 ( -1.971 -3.437 0.990) 4.084 8.650 ( 1.109 1.579 0.659) 2.039 8.848 ( 0.717 1.863 0.836) 2.164 15.896 ( 0.310 0.763 0.079) 0.827 16.032 ( 0.491 1.459 0.213) 1.554 16.495 ( -0.634 -1.179 -0.207) 1.355 17.350 ( 1.030 1.416 -0.691) 1.883 17.750 ( -3.152 5.354 0.380) 6.224 17.856 ( 0.220 -10.647 -1.441) 10.746 ======================= Grid point 569 (121/124) ======================= q-point: ( 0.30 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -0.898 14.274 1.638) 14.395 2.194 ( -1.371 1.806 5.998) 6.412 2.397 ( 6.850 2.973 0.568) 7.489 2.607 ( -0.603 -1.399 2.609) 3.021 2.629 ( -0.311 8.046 -1.195) 8.140 2.789 ( -0.726 -9.961 -2.878) 10.394 2.956 ( 3.863 -0.822 -0.954) 4.062 3.066 ( 0.595 0.026 3.226) 3.281 3.403 ( -0.035 -0.653 -0.656) 0.926 3.645 ( 0.170 2.246 -2.816) 3.606 3.863 ( -2.936 4.001 1.571) 5.205 3.982 ( 4.029 -1.646 -0.951) 4.455 5.787 ( -2.170 -3.055 -3.490) 5.121 6.282 ( -0.909 0.835 -0.504) 1.333 6.421 ( -0.075 -2.074 -0.764) 2.211 6.732 ( -2.151 3.428 -0.297) 4.058 7.046 ( 2.418 -4.739 0.071) 5.321 7.374 ( 0.616 1.528 -0.698) 1.789 8.013 ( -1.318 -2.298 1.083) 2.861 8.681 ( -0.727 3.657 0.574) 3.772 8.872 ( 1.572 -0.957 1.054) 2.121 15.909 ( -0.190 1.417 0.131) 1.436 16.047 ( 1.357 -1.617 0.344) 2.139 16.476 ( -0.286 -0.830 -0.220) 0.905 17.400 ( 1.758 4.053 -0.478) 4.443 17.624 ( -9.317 0.593 1.963) 9.540 17.871 ( 5.558 -5.677 -3.314) 8.608 ======================= Grid point 570 (122/124) ======================= q-point: ( 0.40 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -7.189 13.626 0.601) 15.418 2.203 ( 0.097 1.956 4.169) 4.606 2.489 ( 0.487 -0.012 1.627) 1.698 2.568 ( -2.130 -0.487 3.345) 3.995 2.681 ( 0.024 2.332 -0.798) 2.465 2.715 ( 2.034 -4.789 -2.706) 5.865 2.991 ( 1.821 -4.396 -1.830) 5.098 3.059 ( -0.229 -0.128 5.177) 5.184 3.386 ( -0.045 -0.830 -0.995) 1.297 3.665 ( 0.079 1.066 -3.549) 3.707 3.866 ( -1.679 3.780 1.462) 4.387 4.009 ( 1.635 -3.036 -0.679) 3.514 5.753 ( 0.477 -0.737 -3.750) 3.852 6.277 ( -1.452 2.172 -0.205) 2.621 6.409 ( 1.376 -2.213 -0.894) 2.755 6.732 ( -2.810 5.055 -0.393) 5.797 7.042 ( 3.622 -6.481 0.206) 7.427 7.387 ( -0.453 0.764 -0.696) 1.128 7.989 ( 0.518 -0.908 1.131) 1.540 8.693 ( -2.523 4.213 0.688) 4.959 8.883 ( 1.630 -2.576 0.902) 3.179 15.915 ( -0.906 1.606 0.132) 1.849 16.051 ( 2.069 -3.281 0.059) 3.879 16.469 ( 0.236 -0.466 -0.164) 0.547 17.479 ( -2.657 -0.225 1.763) 3.197 17.506 ( -1.470 8.636 -1.538) 8.894 17.885 ( 3.303 -7.200 -1.854) 8.135 ======================= Grid point 572 (123/124) ======================= q-point: (-0.50 0.20 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -10.647 6.558 -0.450) 12.513 2.214 ( -0.735 0.466 4.241) 4.330 2.387 ( -6.786 -3.938 1.737) 8.036 2.557 ( -2.280 3.811 3.300) 5.533 2.692 ( -2.045 -0.483 -3.067) 3.718 2.760 ( 7.938 -1.935 -0.448) 8.183 2.941 ( -1.616 -2.954 0.271) 3.378 3.058 ( -0.852 0.283 4.261) 4.354 3.386 ( -0.656 1.032 0.600) 1.362 3.663 ( -0.877 -0.541 -4.173) 4.298 3.880 ( -0.854 4.124 0.009) 4.211 3.975 ( -1.064 -4.754 -0.470) 4.895 5.789 ( 3.831 0.231 -3.623) 5.278 6.277 ( -0.507 1.558 -0.057) 1.639 6.422 ( 1.889 -1.093 -0.956) 2.382 6.735 ( -1.748 3.395 -0.563) 3.860 7.043 ( 2.734 -4.260 0.374) 5.076 7.374 ( -1.640 0.249 -0.675) 1.790 8.013 ( 2.642 0.005 1.098) 2.861 8.679 ( -2.868 2.566 0.778) 3.927 8.875 ( 0.188 -2.060 0.719) 2.190 15.909 ( -1.061 0.795 0.069) 1.327 16.051 ( 0.902 -2.302 -0.061) 2.473 16.476 ( 0.832 -0.105 -0.150) 0.852 17.396 ( -4.312 0.869 -0.112) 4.400 17.655 ( 5.924 7.836 -0.792) 9.855 17.841 ( 0.109 -7.229 -0.620) 7.256 ======================= Grid point 580 (124/124) ======================= q-point: ( 0.30 0.30 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 3.09e-04 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 4.934 7.412 1.613) 9.049 2.235 ( 0.798 4.098 3.776) 5.630 2.428 ( -0.850 -1.428 1.679) 2.363 2.575 ( 0.206 -1.120 3.128) 3.329 2.616 ( -2.305 -4.826 -0.957) 5.433 2.787 ( 2.537 6.051 -2.964) 7.200 2.916 ( -1.054 -2.897 -1.844) 3.592 3.059 ( -0.176 -0.410 5.621) 5.639 3.377 ( -0.554 -1.185 -1.137) 1.733 3.673 ( 0.114 0.520 -4.154) 4.188 3.921 ( 0.559 1.611 0.930) 1.943 3.960 ( -0.075 -0.599 0.222) 0.643 5.746 ( -0.609 -1.033 -3.821) 4.004 6.312 ( 1.201 1.915 -0.445) 2.303 6.375 ( -1.373 -2.258 -0.689) 2.731 6.813 ( 2.317 4.124 -0.201) 4.734 6.945 ( -2.630 -4.673 0.070) 5.363 7.395 ( 0.306 0.524 -0.706) 0.931 7.979 ( -0.527 -0.916 1.160) 1.569 8.755 ( 1.954 3.265 0.760) 3.880 8.838 ( -1.353 -2.201 0.852) 2.721 15.943 ( 1.062 1.815 0.083) 2.105 16.003 ( -1.369 -2.256 0.102) 2.641 16.465 ( -0.167 -0.304 -0.165) 0.384 17.478 ( 1.769 2.772 1.493) 3.611 17.646 ( -0.131 1.377 -0.897) 1.648 17.762 ( -1.669 -4.261 -2.222) 5.087 =================== 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 3/29700 10.0 160.839 160.839 89.836 -0.000 -0.000 0.000 3/29700 20.0 27.849 27.849 21.829 -0.000 -0.000 0.000 3/29700 30.0 11.542 11.542 9.657 0.000 -0.000 0.000 3/29700 40.0 7.035 7.035 6.063 0.000 -0.000 0.000 3/29700 50.0 5.059 5.059 4.450 0.000 -0.000 0.000 3/29700 60.0 3.962 3.962 3.551 0.000 -0.000 0.000 3/29700 70.0 3.267 3.267 2.982 0.000 -0.000 0.000 3/29700 80.0 2.789 2.789 2.591 0.000 -0.000 0.000 3/29700 90.0 2.440 2.440 2.304 0.000 -0.000 0.000 3/29700 100.0 2.175 2.175 2.084 0.000 -0.000 0.000 3/29700 110.0 1.967 1.967 1.909 0.000 -0.000 0.000 3/29700 120.0 1.800 1.800 1.767 0.000 -0.000 0.000 3/29700 130.0 1.664 1.664 1.649 0.000 -0.000 0.000 3/29700 140.0 1.550 1.550 1.549 0.000 -0.000 0.000 3/29700 150.0 1.454 1.454 1.463 0.000 -0.000 0.000 3/29700 160.0 1.372 1.372 1.389 0.000 -0.000 0.000 3/29700 170.0 1.301 1.301 1.324 0.000 -0.000 0.000 3/29700 180.0 1.239 1.239 1.266 0.000 -0.000 0.000 3/29700 190.0 1.184 1.184 1.214 0.000 -0.000 0.000 3/29700 200.0 1.135 1.135 1.167 0.000 -0.000 0.000 3/29700 210.0 1.090 1.090 1.124 0.000 -0.000 0.000 3/29700 220.0 1.050 1.050 1.085 0.000 -0.000 0.000 3/29700 230.0 1.013 1.013 1.049 0.000 -0.000 0.000 3/29700 240.0 0.980 0.980 1.016 0.000 -0.000 0.000 3/29700 250.0 0.949 0.949 0.985 0.000 -0.000 0.000 3/29700 260.0 0.920 0.920 0.956 0.000 -0.000 0.000 3/29700 270.0 0.893 0.893 0.929 0.000 -0.000 0.000 3/29700 280.0 0.867 0.867 0.904 0.000 -0.000 0.000 3/29700 290.0 0.844 0.844 0.880 0.000 -0.000 0.000 3/29700 300.0 0.821 0.821 0.857 0.000 -0.000 0.000 3/29700 310.0 0.800 0.800 0.836 0.000 -0.000 0.000 3/29700 320.0 0.780 0.780 0.816 0.000 -0.000 0.000 3/29700 330.0 0.761 0.761 0.796 0.000 -0.000 0.000 3/29700 340.0 0.743 0.743 0.778 0.000 -0.000 0.000 3/29700 350.0 0.726 0.726 0.760 0.000 -0.000 0.000 3/29700 360.0 0.710 0.710 0.743 0.000 -0.000 0.000 3/29700 370.0 0.694 0.694 0.727 0.000 -0.000 0.000 3/29700 380.0 0.679 0.679 0.712 0.000 -0.000 0.000 3/29700 390.0 0.665 0.665 0.697 0.000 -0.000 0.000 3/29700 400.0 0.651 0.651 0.683 0.000 -0.000 0.000 3/29700 410.0 0.638 0.638 0.669 0.000 -0.000 0.000 3/29700 420.0 0.626 0.626 0.656 0.000 -0.000 0.000 3/29700 430.0 0.613 0.613 0.643 0.000 -0.000 0.000 3/29700 440.0 0.602 0.602 0.631 0.000 -0.000 0.000 3/29700 450.0 0.591 0.591 0.619 0.000 -0.000 0.000 3/29700 460.0 0.580 0.580 0.608 0.000 -0.000 0.000 3/29700 470.0 0.569 0.569 0.597 0.000 -0.000 0.000 3/29700 480.0 0.559 0.559 0.587 0.000 -0.000 0.000 3/29700 490.0 0.549 0.549 0.577 0.000 -0.000 0.000 3/29700 500.0 0.540 0.540 0.567 0.000 -0.000 0.000 3/29700 510.0 0.531 0.531 0.557 0.000 -0.000 0.000 3/29700 520.0 0.522 0.522 0.548 0.000 -0.000 0.000 3/29700 530.0 0.514 0.514 0.539 0.000 -0.000 0.000 3/29700 540.0 0.505 0.505 0.530 0.000 -0.000 0.000 3/29700 550.0 0.497 0.497 0.522 0.000 -0.000 0.000 3/29700 560.0 0.490 0.490 0.514 0.000 -0.000 0.000 3/29700 570.0 0.482 0.482 0.506 0.000 -0.000 0.000 3/29700 580.0 0.475 0.475 0.498 0.000 -0.000 0.000 3/29700 590.0 0.468 0.468 0.491 0.000 -0.000 0.000 3/29700 600.0 0.461 0.461 0.484 0.000 -0.000 0.000 3/29700 610.0 0.454 0.454 0.477 0.000 -0.000 0.000 3/29700 620.0 0.448 0.448 0.470 0.000 -0.000 0.000 3/29700 630.0 0.441 0.441 0.463 0.000 -0.000 0.000 3/29700 640.0 0.435 0.435 0.457 0.000 -0.000 0.000 3/29700 650.0 0.429 0.429 0.451 0.000 -0.000 0.000 3/29700 660.0 0.423 0.423 0.445 0.000 -0.000 0.000 3/29700 670.0 0.418 0.418 0.439 0.000 -0.000 0.000 3/29700 680.0 0.412 0.412 0.433 0.000 -0.000 0.000 3/29700 690.0 0.407 0.407 0.427 0.000 -0.000 0.000 3/29700 700.0 0.402 0.402 0.422 0.000 -0.000 0.000 3/29700 710.0 0.396 0.396 0.416 0.000 -0.000 0.000 3/29700 720.0 0.391 0.391 0.411 0.000 -0.000 0.000 3/29700 730.0 0.387 0.387 0.406 0.000 -0.000 0.000 3/29700 740.0 0.382 0.382 0.401 0.000 -0.000 0.000 3/29700 750.0 0.377 0.377 0.396 0.000 -0.000 0.000 3/29700 760.0 0.373 0.373 0.391 0.000 -0.000 0.000 3/29700 770.0 0.368 0.368 0.387 0.000 -0.000 0.000 3/29700 780.0 0.364 0.364 0.382 0.000 -0.000 0.000 3/29700 790.0 0.360 0.360 0.378 0.000 -0.000 0.000 3/29700 800.0 0.356 0.356 0.373 0.000 -0.000 0.000 3/29700 810.0 0.352 0.352 0.369 0.000 -0.000 0.000 3/29700 820.0 0.348 0.348 0.365 0.000 -0.000 0.000 3/29700 830.0 0.344 0.344 0.361 0.000 -0.000 0.000 3/29700 840.0 0.340 0.340 0.357 0.000 -0.000 0.000 3/29700 850.0 0.336 0.336 0.353 0.000 -0.000 0.000 3/29700 860.0 0.333 0.333 0.349 0.000 -0.000 0.000 3/29700 870.0 0.329 0.329 0.346 0.000 -0.000 0.000 3/29700 880.0 0.326 0.326 0.342 0.000 -0.000 0.000 3/29700 890.0 0.322 0.322 0.339 0.000 -0.000 0.000 3/29700 900.0 0.319 0.319 0.335 0.000 -0.000 0.000 3/29700 910.0 0.316 0.316 0.332 0.000 -0.000 0.000 3/29700 920.0 0.313 0.313 0.328 0.000 -0.000 0.000 3/29700 930.0 0.309 0.309 0.325 0.000 -0.000 0.000 3/29700 940.0 0.306 0.306 0.322 0.000 -0.000 0.000 3/29700 950.0 0.303 0.303 0.319 0.000 -0.000 0.000 3/29700 960.0 0.300 0.300 0.315 0.000 -0.000 0.000 3/29700 970.0 0.298 0.298 0.312 0.000 -0.000 0.000 3/29700 980.0 0.295 0.295 0.309 0.000 -0.000 0.000 3/29700 990.0 0.292 0.292 0.307 0.000 -0.000 0.000 3/29700 1000.0 0.289 0.289 0.304 0.000 -0.000 0.000 3/29700 Thermal conductivity related properties were written into "kappa-m101011.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:40:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|