----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:24:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.744549772619262 -2.163616325000000 0.000000000000000 b 7.744549772619262 2.163616325000000 0.000000000000000 c -4.174010829149962 0.000000000000000 9.000616325505431 Atomic positions (fractional): *1 Cs 0.81405060188773 0.81405060188773 0.27343156202486 132.905 2 Cs 0.18594939811227 0.18594939811227 0.72656843797514 132.905 *3 Li 0.54914353225432 0.54914353225432 0.29129056968391 6.941 4 Li 0.45085646774568 0.45085646774568 0.70870943031609 6.941 *5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 *6 Br 0.40113742233494 0.40113742233494 0.06023664827098 79.904 7 Br 0.59886257766506 0.59886257766506 0.93976335172902 79.904 *8 Br 0.86670102863875 0.86670102863875 0.70250658498480 79.904 *9 Br 0.50000000000000 0.50000000000000 0.50000000000000 79.904 10 Br 0.13329897136125 0.13329897136125 0.29749341501520 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.489099545238524 0.000000000000000 0.000000000000000 b 0.000000000000000 4.327232649999999 0.000000000000000 c -4.174010829149962 0.000000000000000 9.000616325505431 Atomic positions (fractional): *1 Cs 0.31405060188773 0.50000000000000 0.27343156202486 132.905 > 1 2 Cs 0.18594939811227 0.00000000000000 0.72656843797514 132.905 > 2 3 Cs 0.81405060188773 0.00000000000000 0.27343156202486 132.905 > 1 4 Cs 0.68594939811227 0.50000000000000 0.72656843797514 132.905 > 2 *5 Li 0.04914353225432 0.50000000000000 0.29129056968391 6.941 > 3 6 Li 0.45085646774568 0.00000000000000 0.70870943031609 6.941 > 4 *7 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 5 8 Li 0.54914353225432 0.00000000000000 0.29129056968391 6.941 > 3 9 Li 0.95085646774568 0.50000000000000 0.70870943031609 6.941 > 4 10 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 5 *11 Br 0.40113742233494 0.00000000000000 0.06023664827098 79.904 > 6 12 Br 0.09886257766506 0.50000000000000 0.93976335172902 79.904 > 7 *13 Br 0.36670102863875 0.50000000000000 0.70250658498480 79.904 > 8 *14 Br 0.00000000000000 0.50000000000000 0.50000000000000 79.904 > 9 15 Br 0.13329897136125 0.00000000000000 0.29749341501520 79.904 > 10 16 Br 0.90113742233494 0.50000000000000 0.06023664827098 79.904 > 6 17 Br 0.59886257766506 0.00000000000000 0.93976335172902 79.904 > 7 18 Br 0.86670102863875 0.00000000000000 0.70250658498480 79.904 > 8 19 Br 0.50000000000000 0.00000000000000 0.50000000000000 79.904 > 9 20 Br 0.63329897136125 0.50000000000000 0.29749341501520 79.904 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.489099545238524 0.000000000000000 0.000000000000000 b 0.000000000000000 12.981697949999997 0.000000000000000 c -8.348021658299924 0.000000000000000 18.001232651010863 Atomic positions (fractional): *1 Cs 0.31405060188773 0.16666666666667 0.13671578101243 132.905 > 1 2 Cs 0.31405060188773 0.50000000000000 0.13671578101243 132.905 > 1 3 Cs 0.31405060188773 0.83333333333333 0.13671578101243 132.905 > 1 4 Cs 0.31405060188773 0.16666666666667 0.63671578101243 132.905 > 1 5 Cs 0.31405060188773 0.50000000000000 0.63671578101243 132.905 > 1 6 Cs 0.31405060188773 0.83333333333333 0.63671578101243 132.905 > 1 7 Cs 0.18594939811227 0.00000000000000 0.36328421898757 132.905 > 2 8 Cs 0.18594939811227 0.33333333333333 0.36328421898757 132.905 > 2 9 Cs 0.18594939811227 0.66666666666667 0.36328421898757 132.905 > 2 10 Cs 0.18594939811227 0.00000000000000 0.86328421898757 132.905 > 2 11 Cs 0.18594939811227 0.33333333333333 0.86328421898757 132.905 > 2 12 Cs 0.18594939811227 0.66666666666667 0.86328421898757 132.905 > 2 13 Cs 0.81405060188773 0.00000000000000 0.13671578101243 132.905 > 1 14 Cs 0.81405060188773 0.33333333333333 0.13671578101243 132.905 > 1 15 Cs 0.81405060188773 0.66666666666667 0.13671578101243 132.905 > 1 16 Cs 0.81405060188773 0.00000000000000 0.63671578101243 132.905 > 1 17 Cs 0.81405060188773 0.33333333333333 0.63671578101243 132.905 > 1 18 Cs 0.81405060188773 0.66666666666667 0.63671578101243 132.905 > 1 19 Cs 0.68594939811227 0.16666666666667 0.36328421898757 132.905 > 2 20 Cs 0.68594939811227 0.50000000000000 0.36328421898757 132.905 > 2 21 Cs 0.68594939811227 0.83333333333333 0.36328421898757 132.905 > 2 22 Cs 0.68594939811227 0.16666666666667 0.86328421898757 132.905 > 2 23 Cs 0.68594939811227 0.50000000000000 0.86328421898757 132.905 > 2 24 Cs 0.68594939811227 0.83333333333333 0.86328421898757 132.905 > 2 *25 Li 0.04914353225432 0.16666666666667 0.14564528484195 6.941 > 3 26 Li 0.04914353225432 0.50000000000000 0.14564528484195 6.941 > 3 27 Li 0.04914353225432 0.83333333333333 0.14564528484195 6.941 > 3 28 Li 0.04914353225432 0.16666666666667 0.64564528484195 6.941 > 3 29 Li 0.04914353225432 0.50000000000000 0.64564528484195 6.941 > 3 30 Li 0.04914353225432 0.83333333333333 0.64564528484195 6.941 > 3 31 Li 0.45085646774568 0.00000000000000 0.35435471515805 6.941 > 4 32 Li 0.45085646774568 0.33333333333333 0.35435471515805 6.941 > 4 33 Li 0.45085646774568 0.66666666666667 0.35435471515805 6.941 > 4 34 Li 0.45085646774568 0.00000000000000 0.85435471515805 6.941 > 4 35 Li 0.45085646774568 0.33333333333333 0.85435471515805 6.941 > 4 36 Li 0.45085646774568 0.66666666666667 0.85435471515805 6.941 > 4 *37 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 5 38 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 5 39 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 5 40 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 5 41 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 5 42 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 5 43 Li 0.54914353225432 0.00000000000000 0.14564528484195 6.941 > 3 44 Li 0.54914353225432 0.33333333333333 0.14564528484195 6.941 > 3 45 Li 0.54914353225432 0.66666666666667 0.14564528484195 6.941 > 3 46 Li 0.54914353225432 0.00000000000000 0.64564528484195 6.941 > 3 47 Li 0.54914353225432 0.33333333333333 0.64564528484195 6.941 > 3 48 Li 0.54914353225432 0.66666666666667 0.64564528484195 6.941 > 3 49 Li 0.95085646774568 0.16666666666667 0.35435471515805 6.941 > 4 50 Li 0.95085646774568 0.50000000000000 0.35435471515805 6.941 > 4 51 Li 0.95085646774568 0.83333333333333 0.35435471515805 6.941 > 4 52 Li 0.95085646774568 0.16666666666667 0.85435471515805 6.941 > 4 53 Li 0.95085646774568 0.50000000000000 0.85435471515805 6.941 > 4 54 Li 0.95085646774568 0.83333333333333 0.85435471515805 6.941 > 4 55 Li 0.50000000000000 0.16666666666667 0.00000000000000 6.941 > 5 56 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 5 57 Li 0.50000000000000 0.83333333333333 0.00000000000000 6.941 > 5 58 Li 0.50000000000000 0.16666666666667 0.50000000000000 6.941 > 5 59 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 5 60 Li 0.50000000000000 0.83333333333333 0.50000000000000 6.941 > 5 *61 Br 0.40113742233494 0.00000000000000 0.03011832413549 79.904 > 6 62 Br 0.40113742233494 0.33333333333333 0.03011832413549 79.904 > 6 63 Br 0.40113742233494 0.66666666666667 0.03011832413549 79.904 > 6 64 Br 0.40113742233494 0.00000000000000 0.53011832413549 79.904 > 6 65 Br 0.40113742233494 0.33333333333333 0.53011832413549 79.904 > 6 66 Br 0.40113742233494 0.66666666666667 0.53011832413549 79.904 > 6 67 Br 0.09886257766506 0.16666666666667 0.46988167586451 79.904 > 7 68 Br 0.09886257766506 0.50000000000000 0.46988167586451 79.904 > 7 69 Br 0.09886257766506 0.83333333333333 0.46988167586451 79.904 > 7 70 Br 0.09886257766506 0.16666666666667 0.96988167586451 79.904 > 7 71 Br 0.09886257766506 0.50000000000000 0.96988167586451 79.904 > 7 72 Br 0.09886257766506 0.83333333333333 0.96988167586451 79.904 > 7 *73 Br 0.36670102863875 0.16666666666667 0.35125329249240 79.904 > 8 74 Br 0.36670102863875 0.50000000000000 0.35125329249240 79.904 > 8 75 Br 0.36670102863875 0.83333333333333 0.35125329249240 79.904 > 8 76 Br 0.36670102863875 0.16666666666667 0.85125329249240 79.904 > 8 77 Br 0.36670102863875 0.50000000000000 0.85125329249240 79.904 > 8 78 Br 0.36670102863875 0.83333333333333 0.85125329249240 79.904 > 8 *79 Br 0.00000000000000 0.16666666666667 0.25000000000000 79.904 > 9 80 Br 0.00000000000000 0.50000000000000 0.25000000000000 79.904 > 9 81 Br 0.00000000000000 0.83333333333333 0.25000000000000 79.904 > 9 82 Br 0.00000000000000 0.16666666666667 0.75000000000000 79.904 > 9 83 Br 0.00000000000000 0.50000000000000 0.75000000000000 79.904 > 9 84 Br 0.00000000000000 0.83333333333333 0.75000000000000 79.904 > 9 85 Br 0.13329897136125 0.00000000000000 0.14874670750760 79.904 > 10 86 Br 0.13329897136125 0.33333333333333 0.14874670750760 79.904 > 10 87 Br 0.13329897136125 0.66666666666667 0.14874670750760 79.904 > 10 88 Br 0.13329897136125 0.00000000000000 0.64874670750760 79.904 > 10 89 Br 0.13329897136125 0.33333333333333 0.64874670750760 79.904 > 10 90 Br 0.13329897136125 0.66666666666667 0.64874670750760 79.904 > 10 91 Br 0.90113742233494 0.16666666666667 0.03011832413549 79.904 > 6 92 Br 0.90113742233494 0.50000000000000 0.03011832413549 79.904 > 6 93 Br 0.90113742233494 0.83333333333333 0.03011832413549 79.904 > 6 94 Br 0.90113742233494 0.16666666666667 0.53011832413549 79.904 > 6 95 Br 0.90113742233494 0.50000000000000 0.53011832413549 79.904 > 6 96 Br 0.90113742233494 0.83333333333333 0.53011832413549 79.904 > 6 97 Br 0.59886257766506 0.00000000000000 0.46988167586451 79.904 > 7 98 Br 0.59886257766506 0.33333333333333 0.46988167586451 79.904 > 7 99 Br 0.59886257766506 0.66666666666667 0.46988167586451 79.904 > 7 100 Br 0.59886257766506 0.00000000000000 0.96988167586451 79.904 > 7 101 Br 0.59886257766506 0.33333333333333 0.96988167586451 79.904 > 7 102 Br 0.59886257766506 0.66666666666667 0.96988167586451 79.904 > 7 103 Br 0.86670102863875 0.00000000000000 0.35125329249240 79.904 > 8 104 Br 0.86670102863875 0.33333333333333 0.35125329249240 79.904 > 8 105 Br 0.86670102863875 0.66666666666667 0.35125329249240 79.904 > 8 106 Br 0.86670102863875 0.00000000000000 0.85125329249240 79.904 > 8 107 Br 0.86670102863875 0.33333333333333 0.85125329249240 79.904 > 8 108 Br 0.86670102863875 0.66666666666667 0.85125329249240 79.904 > 8 109 Br 0.50000000000000 0.00000000000000 0.25000000000000 79.904 > 9 110 Br 0.50000000000000 0.33333333333333 0.25000000000000 79.904 > 9 111 Br 0.50000000000000 0.66666666666667 0.25000000000000 79.904 > 9 112 Br 0.50000000000000 0.00000000000000 0.75000000000000 79.904 > 9 113 Br 0.50000000000000 0.33333333333333 0.75000000000000 79.904 > 9 114 Br 0.50000000000000 0.66666666666667 0.75000000000000 79.904 > 9 115 Br 0.63329897136125 0.16666666666667 0.14874670750760 79.904 > 10 116 Br 0.63329897136125 0.50000000000000 0.14874670750760 79.904 > 10 117 Br 0.63329897136125 0.83333333333333 0.14874670750760 79.904 > 10 118 Br 0.63329897136125 0.16666666666667 0.64874670750760 79.904 > 10 119 Br 0.63329897136125 0.50000000000000 0.64874670750760 79.904 > 10 120 Br 0.63329897136125 0.83333333333333 0.64874670750760 79.904 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0218532 0.0000000 -0.0100873 0.0000000 2.9860980 0.0000000 -0.0100891 0.0000000 3.0158571 -------------------------- Born effective charges -------------------------- 1 Cs 1.4473645 0.0000000 0.0848992 0.0000000 1.1879259 0.0000000 0.1016552 0.0000000 1.2990711 2 Cs 1.4473645 0.0000000 0.0848992 0.0000000 1.1879259 0.0000000 0.1016552 0.0000000 1.2990711 3 Li 0.9368866 0.0000000 -0.0857262 0.0000000 1.0538259 0.0000000 -0.1111844 0.0000000 1.0134057 4 Li 0.9368866 0.0000000 -0.0857262 0.0000000 1.0538259 0.0000000 -0.1111844 0.0000000 1.0134057 5 Li 1.0363080 0.0000000 0.0132915 0.0000000 1.3253889 0.0000000 -0.0238670 0.0000000 1.1807204 6 Br -1.2130321 0.0000000 -0.0133700 0.0000000 -1.1430625 0.0000000 0.0101617 0.0000000 -1.1925772 7 Br -1.2130321 0.0000000 -0.0133700 0.0000000 -1.1430625 0.0000000 0.0101617 0.0000000 -1.1925772 8 Br -1.1026231 0.0000000 -0.0395280 0.0000000 -1.2998325 0.0000000 -0.0465741 0.0000000 -1.0317821 9 Br -1.1734999 0.0000000 0.0941586 0.0000000 -0.9231026 0.0000000 0.1157503 0.0000000 -1.3569554 10 Br -1.1026231 0.0000000 -0.0395280 0.0000000 -1.2998325 0.0000000 -0.0465741 0.0000000 -1.0317821 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 6636/6636 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1532 Number of blocks in projector: 1532 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1532, 1503), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (408, 397), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.236 Solver_block: 200 / 320 - Time: 2.218 Solver_block: 300 / 320 - Time: 2.213 Solver_block: 320 / 320 - Time: 0.538 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.240 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 6636/6636 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1532 Number of blocks in projector: 1532 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1532, 1503), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (244, 238), data: True |-- (408, 397), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:24:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:24:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.744549772619262 -2.163616325000000 0.000000000000000 b 7.744549772619262 2.163616325000000 0.000000000000000 c -4.174010829149962 0.000000000000000 9.000616325505431 Atomic positions (fractional): 1 Cs 0.81405060188773 0.81405060188773 0.27343156202486 132.905 2 Cs 0.18594939811227 0.18594939811227 0.72656843797514 132.905 3 Li 0.54914353225432 0.54914353225432 0.29129056968391 6.941 4 Li 0.45085646774568 0.45085646774568 0.70870943031609 6.941 5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 6 Br 0.40113742233494 0.40113742233494 0.06023664827098 79.904 7 Br 0.59886257766506 0.59886257766506 0.93976335172902 79.904 8 Br 0.86670102863875 0.86670102863875 0.70250658498480 79.904 9 Br 0.50000000000000 0.50000000000000 0.50000000000000 79.904 10 Br 0.13329897136125 0.13329897136125 0.29749341501520 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.489099545238524 0.000000000000000 0.000000000000000 b 0.000000000000000 12.981697949999997 0.000000000000000 c -8.348021658299924 0.000000000000000 18.001232651010863 Atomic positions (fractional): 1 Cs 0.31405060188773 0.16666666666667 0.13671578101243 132.905 > 1 2 Cs 0.31405060188773 0.50000000000000 0.13671578101243 132.905 > 1 3 Cs 0.31405060188773 0.83333333333333 0.13671578101243 132.905 > 1 4 Cs 0.31405060188773 0.16666666666667 0.63671578101243 132.905 > 1 5 Cs 0.31405060188773 0.50000000000000 0.63671578101243 132.905 > 1 6 Cs 0.31405060188773 0.83333333333333 0.63671578101243 132.905 > 1 7 Cs 0.18594939811227 0.00000000000000 0.36328421898757 132.905 > 7 8 Cs 0.18594939811227 0.33333333333333 0.36328421898757 132.905 > 7 9 Cs 0.18594939811227 0.66666666666667 0.36328421898757 132.905 > 7 10 Cs 0.18594939811227 0.00000000000000 0.86328421898757 132.905 > 7 11 Cs 0.18594939811227 0.33333333333333 0.86328421898757 132.905 > 7 12 Cs 0.18594939811227 0.66666666666667 0.86328421898757 132.905 > 7 13 Cs 0.81405060188773 0.00000000000000 0.13671578101243 132.905 > 1 14 Cs 0.81405060188773 0.33333333333333 0.13671578101243 132.905 > 1 15 Cs 0.81405060188773 0.66666666666667 0.13671578101243 132.905 > 1 16 Cs 0.81405060188773 0.00000000000000 0.63671578101243 132.905 > 1 17 Cs 0.81405060188773 0.33333333333333 0.63671578101243 132.905 > 1 18 Cs 0.81405060188773 0.66666666666667 0.63671578101243 132.905 > 1 19 Cs 0.68594939811227 0.16666666666667 0.36328421898757 132.905 > 7 20 Cs 0.68594939811227 0.50000000000000 0.36328421898757 132.905 > 7 21 Cs 0.68594939811227 0.83333333333333 0.36328421898757 132.905 > 7 22 Cs 0.68594939811227 0.16666666666667 0.86328421898757 132.905 > 7 23 Cs 0.68594939811227 0.50000000000000 0.86328421898757 132.905 > 7 24 Cs 0.68594939811227 0.83333333333333 0.86328421898757 132.905 > 7 25 Li 0.04914353225432 0.16666666666667 0.14564528484195 6.941 > 25 26 Li 0.04914353225432 0.50000000000000 0.14564528484195 6.941 > 25 27 Li 0.04914353225432 0.83333333333333 0.14564528484195 6.941 > 25 28 Li 0.04914353225432 0.16666666666667 0.64564528484195 6.941 > 25 29 Li 0.04914353225432 0.50000000000000 0.64564528484195 6.941 > 25 30 Li 0.04914353225432 0.83333333333333 0.64564528484195 6.941 > 25 31 Li 0.45085646774568 0.00000000000000 0.35435471515805 6.941 > 31 32 Li 0.45085646774568 0.33333333333333 0.35435471515805 6.941 > 31 33 Li 0.45085646774568 0.66666666666667 0.35435471515805 6.941 > 31 34 Li 0.45085646774568 0.00000000000000 0.85435471515805 6.941 > 31 35 Li 0.45085646774568 0.33333333333333 0.85435471515805 6.941 > 31 36 Li 0.45085646774568 0.66666666666667 0.85435471515805 6.941 > 31 37 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 37 38 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 37 39 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 37 40 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 37 41 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 37 42 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 37 43 Li 0.54914353225432 0.00000000000000 0.14564528484195 6.941 > 25 44 Li 0.54914353225432 0.33333333333333 0.14564528484195 6.941 > 25 45 Li 0.54914353225432 0.66666666666667 0.14564528484195 6.941 > 25 46 Li 0.54914353225432 0.00000000000000 0.64564528484195 6.941 > 25 47 Li 0.54914353225432 0.33333333333333 0.64564528484195 6.941 > 25 48 Li 0.54914353225432 0.66666666666667 0.64564528484195 6.941 > 25 49 Li 0.95085646774568 0.16666666666667 0.35435471515805 6.941 > 31 50 Li 0.95085646774568 0.50000000000000 0.35435471515805 6.941 > 31 51 Li 0.95085646774568 0.83333333333333 0.35435471515805 6.941 > 31 52 Li 0.95085646774568 0.16666666666667 0.85435471515805 6.941 > 31 53 Li 0.95085646774568 0.50000000000000 0.85435471515805 6.941 > 31 54 Li 0.95085646774568 0.83333333333333 0.85435471515805 6.941 > 31 55 Li 0.50000000000000 0.16666666666667 0.00000000000000 6.941 > 37 56 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 37 57 Li 0.50000000000000 0.83333333333333 0.00000000000000 6.941 > 37 58 Li 0.50000000000000 0.16666666666667 0.50000000000000 6.941 > 37 59 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 37 60 Li 0.50000000000000 0.83333333333333 0.50000000000000 6.941 > 37 61 Br 0.40113742233494 0.00000000000000 0.03011832413549 79.904 > 61 62 Br 0.40113742233494 0.33333333333333 0.03011832413549 79.904 > 61 63 Br 0.40113742233494 0.66666666666667 0.03011832413549 79.904 > 61 64 Br 0.40113742233494 0.00000000000000 0.53011832413549 79.904 > 61 65 Br 0.40113742233494 0.33333333333333 0.53011832413549 79.904 > 61 66 Br 0.40113742233494 0.66666666666667 0.53011832413549 79.904 > 61 67 Br 0.09886257766506 0.16666666666667 0.46988167586451 79.904 > 67 68 Br 0.09886257766506 0.50000000000000 0.46988167586451 79.904 > 67 69 Br 0.09886257766506 0.83333333333333 0.46988167586451 79.904 > 67 70 Br 0.09886257766506 0.16666666666667 0.96988167586451 79.904 > 67 71 Br 0.09886257766506 0.50000000000000 0.96988167586451 79.904 > 67 72 Br 0.09886257766506 0.83333333333333 0.96988167586451 79.904 > 67 73 Br 0.36670102863875 0.16666666666667 0.35125329249240 79.904 > 73 74 Br 0.36670102863875 0.50000000000000 0.35125329249240 79.904 > 73 75 Br 0.36670102863875 0.83333333333333 0.35125329249240 79.904 > 73 76 Br 0.36670102863875 0.16666666666667 0.85125329249240 79.904 > 73 77 Br 0.36670102863875 0.50000000000000 0.85125329249240 79.904 > 73 78 Br 0.36670102863875 0.83333333333333 0.85125329249240 79.904 > 73 79 Br 0.00000000000000 0.16666666666667 0.25000000000000 79.904 > 79 80 Br 0.00000000000000 0.50000000000000 0.25000000000000 79.904 > 79 81 Br 0.00000000000000 0.83333333333333 0.25000000000000 79.904 > 79 82 Br 0.00000000000000 0.16666666666667 0.75000000000000 79.904 > 79 83 Br 0.00000000000000 0.50000000000000 0.75000000000000 79.904 > 79 84 Br 0.00000000000000 0.83333333333333 0.75000000000000 79.904 > 79 85 Br 0.13329897136125 0.00000000000000 0.14874670750760 79.904 > 85 86 Br 0.13329897136125 0.33333333333333 0.14874670750760 79.904 > 85 87 Br 0.13329897136125 0.66666666666667 0.14874670750760 79.904 > 85 88 Br 0.13329897136125 0.00000000000000 0.64874670750760 79.904 > 85 89 Br 0.13329897136125 0.33333333333333 0.64874670750760 79.904 > 85 90 Br 0.13329897136125 0.66666666666667 0.64874670750760 79.904 > 85 91 Br 0.90113742233494 0.16666666666667 0.03011832413549 79.904 > 61 92 Br 0.90113742233494 0.50000000000000 0.03011832413549 79.904 > 61 93 Br 0.90113742233494 0.83333333333333 0.03011832413549 79.904 > 61 94 Br 0.90113742233494 0.16666666666667 0.53011832413549 79.904 > 61 95 Br 0.90113742233494 0.50000000000000 0.53011832413549 79.904 > 61 96 Br 0.90113742233494 0.83333333333333 0.53011832413549 79.904 > 61 97 Br 0.59886257766506 0.00000000000000 0.46988167586451 79.904 > 67 98 Br 0.59886257766506 0.33333333333333 0.46988167586451 79.904 > 67 99 Br 0.59886257766506 0.66666666666667 0.46988167586451 79.904 > 67 100 Br 0.59886257766506 0.00000000000000 0.96988167586451 79.904 > 67 101 Br 0.59886257766506 0.33333333333333 0.96988167586451 79.904 > 67 102 Br 0.59886257766506 0.66666666666667 0.96988167586451 79.904 > 67 103 Br 0.86670102863875 0.00000000000000 0.35125329249240 79.904 > 73 104 Br 0.86670102863875 0.33333333333333 0.35125329249240 79.904 > 73 105 Br 0.86670102863875 0.66666666666667 0.35125329249240 79.904 > 73 106 Br 0.86670102863875 0.00000000000000 0.85125329249240 79.904 > 73 107 Br 0.86670102863875 0.33333333333333 0.85125329249240 79.904 > 73 108 Br 0.86670102863875 0.66666666666667 0.85125329249240 79.904 > 73 109 Br 0.50000000000000 0.00000000000000 0.25000000000000 79.904 > 79 110 Br 0.50000000000000 0.33333333333333 0.25000000000000 79.904 > 79 111 Br 0.50000000000000 0.66666666666667 0.25000000000000 79.904 > 79 112 Br 0.50000000000000 0.00000000000000 0.75000000000000 79.904 > 79 113 Br 0.50000000000000 0.33333333333333 0.75000000000000 79.904 > 79 114 Br 0.50000000000000 0.66666666666667 0.75000000000000 79.904 > 79 115 Br 0.63329897136125 0.16666666666667 0.14874670750760 79.904 > 85 116 Br 0.63329897136125 0.50000000000000 0.14874670750760 79.904 > 85 117 Br 0.63329897136125 0.83333333333333 0.14874670750760 79.904 > 85 118 Br 0.63329897136125 0.16666666666667 0.64874670750760 79.904 > 85 119 Br 0.63329897136125 0.50000000000000 0.64874670750760 79.904 > 85 120 Br 0.63329897136125 0.83333333333333 0.64874670750760 79.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0218532 0.0000000 -0.0100873 0.0000000 2.9860980 0.0000000 -0.0100891 0.0000000 3.0158571 -------------------------- Born effective charges -------------------------- 1 Cs 1.4473645 0.0000000 0.0848992 0.0000000 1.1879259 0.0000000 0.1016552 0.0000000 1.2990711 2 Cs 1.4473645 0.0000000 0.0848992 0.0000000 1.1879259 0.0000000 0.1016552 0.0000000 1.2990711 3 Li 0.9368866 0.0000000 -0.0857262 0.0000000 1.0538259 0.0000000 -0.1111844 0.0000000 1.0134057 4 Li 0.9368866 0.0000000 -0.0857262 0.0000000 1.0538259 0.0000000 -0.1111844 0.0000000 1.0134057 5 Li 1.0363080 0.0000000 0.0132915 0.0000000 1.3253889 0.0000000 -0.0238670 0.0000000 1.1807204 6 Br -1.2130321 0.0000000 -0.0133700 0.0000000 -1.1430625 0.0000000 0.0101617 0.0000000 -1.1925772 7 Br -1.2130321 0.0000000 -0.0133700 0.0000000 -1.1430625 0.0000000 0.0101617 0.0000000 -1.1925772 8 Br -1.1026231 0.0000000 -0.0395280 0.0000000 -1.2998325 0.0000000 -0.0465741 0.0000000 -1.0317821 9 Br -1.1734999 0.0000000 0.0941586 0.0000000 -0.9231026 0.0000000 0.1157503 0.0000000 -1.3569554 10 Br -1.1026231 0.0000000 -0.0395280 0.0000000 -1.2998325 0.0000000 -0.0465741 0.0000000 -1.0317821 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:25:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:25:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.744549772619262 -2.163616325000000 0.000000000000000 b 7.744549772619262 2.163616325000000 0.000000000000000 c -4.174010829149962 0.000000000000000 9.000616325505431 Atomic positions (fractional): 1 Cs 0.81405060188773 0.81405060188773 0.27343156202486 132.905 2 Cs 0.18594939811227 0.18594939811227 0.72656843797514 132.905 3 Li 0.54914353225432 0.54914353225432 0.29129056968391 6.941 4 Li 0.45085646774568 0.45085646774568 0.70870943031609 6.941 5 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 6 Br 0.40113742233494 0.40113742233494 0.06023664827098 79.904 7 Br 0.59886257766506 0.59886257766506 0.93976335172902 79.904 8 Br 0.86670102863875 0.86670102863875 0.70250658498480 79.904 9 Br 0.50000000000000 0.50000000000000 0.50000000000000 79.904 10 Br 0.13329897136125 0.13329897136125 0.29749341501520 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.489099545238524 0.000000000000000 0.000000000000000 b 0.000000000000000 12.981697949999997 0.000000000000000 c -8.348021658299924 0.000000000000000 18.001232651010863 Atomic positions (fractional): 1 Cs 0.31405060188773 0.16666666666667 0.13671578101243 132.905 > 1 2 Cs 0.31405060188773 0.50000000000000 0.13671578101243 132.905 > 1 3 Cs 0.31405060188773 0.83333333333333 0.13671578101243 132.905 > 1 4 Cs 0.31405060188773 0.16666666666667 0.63671578101243 132.905 > 1 5 Cs 0.31405060188773 0.50000000000000 0.63671578101243 132.905 > 1 6 Cs 0.31405060188773 0.83333333333333 0.63671578101243 132.905 > 1 7 Cs 0.18594939811227 0.00000000000000 0.36328421898757 132.905 > 7 8 Cs 0.18594939811227 0.33333333333333 0.36328421898757 132.905 > 7 9 Cs 0.18594939811227 0.66666666666667 0.36328421898757 132.905 > 7 10 Cs 0.18594939811227 0.00000000000000 0.86328421898757 132.905 > 7 11 Cs 0.18594939811227 0.33333333333333 0.86328421898757 132.905 > 7 12 Cs 0.18594939811227 0.66666666666667 0.86328421898757 132.905 > 7 13 Cs 0.81405060188773 0.00000000000000 0.13671578101243 132.905 > 1 14 Cs 0.81405060188773 0.33333333333333 0.13671578101243 132.905 > 1 15 Cs 0.81405060188773 0.66666666666667 0.13671578101243 132.905 > 1 16 Cs 0.81405060188773 0.00000000000000 0.63671578101243 132.905 > 1 17 Cs 0.81405060188773 0.33333333333333 0.63671578101243 132.905 > 1 18 Cs 0.81405060188773 0.66666666666667 0.63671578101243 132.905 > 1 19 Cs 0.68594939811227 0.16666666666667 0.36328421898757 132.905 > 7 20 Cs 0.68594939811227 0.50000000000000 0.36328421898757 132.905 > 7 21 Cs 0.68594939811227 0.83333333333333 0.36328421898757 132.905 > 7 22 Cs 0.68594939811227 0.16666666666667 0.86328421898757 132.905 > 7 23 Cs 0.68594939811227 0.50000000000000 0.86328421898757 132.905 > 7 24 Cs 0.68594939811227 0.83333333333333 0.86328421898757 132.905 > 7 25 Li 0.04914353225432 0.16666666666667 0.14564528484195 6.941 > 25 26 Li 0.04914353225432 0.50000000000000 0.14564528484195 6.941 > 25 27 Li 0.04914353225432 0.83333333333333 0.14564528484195 6.941 > 25 28 Li 0.04914353225432 0.16666666666667 0.64564528484195 6.941 > 25 29 Li 0.04914353225432 0.50000000000000 0.64564528484195 6.941 > 25 30 Li 0.04914353225432 0.83333333333333 0.64564528484195 6.941 > 25 31 Li 0.45085646774568 0.00000000000000 0.35435471515805 6.941 > 31 32 Li 0.45085646774568 0.33333333333333 0.35435471515805 6.941 > 31 33 Li 0.45085646774568 0.66666666666667 0.35435471515805 6.941 > 31 34 Li 0.45085646774568 0.00000000000000 0.85435471515805 6.941 > 31 35 Li 0.45085646774568 0.33333333333333 0.85435471515805 6.941 > 31 36 Li 0.45085646774568 0.66666666666667 0.85435471515805 6.941 > 31 37 Li 0.00000000000000 0.00000000000000 0.00000000000000 6.941 > 37 38 Li 0.00000000000000 0.33333333333333 0.00000000000000 6.941 > 37 39 Li 0.00000000000000 0.66666666666667 0.00000000000000 6.941 > 37 40 Li 0.00000000000000 0.00000000000000 0.50000000000000 6.941 > 37 41 Li 0.00000000000000 0.33333333333333 0.50000000000000 6.941 > 37 42 Li 0.00000000000000 0.66666666666667 0.50000000000000 6.941 > 37 43 Li 0.54914353225432 0.00000000000000 0.14564528484195 6.941 > 25 44 Li 0.54914353225432 0.33333333333333 0.14564528484195 6.941 > 25 45 Li 0.54914353225432 0.66666666666667 0.14564528484195 6.941 > 25 46 Li 0.54914353225432 0.00000000000000 0.64564528484195 6.941 > 25 47 Li 0.54914353225432 0.33333333333333 0.64564528484195 6.941 > 25 48 Li 0.54914353225432 0.66666666666667 0.64564528484195 6.941 > 25 49 Li 0.95085646774568 0.16666666666667 0.35435471515805 6.941 > 31 50 Li 0.95085646774568 0.50000000000000 0.35435471515805 6.941 > 31 51 Li 0.95085646774568 0.83333333333333 0.35435471515805 6.941 > 31 52 Li 0.95085646774568 0.16666666666667 0.85435471515805 6.941 > 31 53 Li 0.95085646774568 0.50000000000000 0.85435471515805 6.941 > 31 54 Li 0.95085646774568 0.83333333333333 0.85435471515805 6.941 > 31 55 Li 0.50000000000000 0.16666666666667 0.00000000000000 6.941 > 37 56 Li 0.50000000000000 0.50000000000000 0.00000000000000 6.941 > 37 57 Li 0.50000000000000 0.83333333333333 0.00000000000000 6.941 > 37 58 Li 0.50000000000000 0.16666666666667 0.50000000000000 6.941 > 37 59 Li 0.50000000000000 0.50000000000000 0.50000000000000 6.941 > 37 60 Li 0.50000000000000 0.83333333333333 0.50000000000000 6.941 > 37 61 Br 0.40113742233494 0.00000000000000 0.03011832413549 79.904 > 61 62 Br 0.40113742233494 0.33333333333333 0.03011832413549 79.904 > 61 63 Br 0.40113742233494 0.66666666666667 0.03011832413549 79.904 > 61 64 Br 0.40113742233494 0.00000000000000 0.53011832413549 79.904 > 61 65 Br 0.40113742233494 0.33333333333333 0.53011832413549 79.904 > 61 66 Br 0.40113742233494 0.66666666666667 0.53011832413549 79.904 > 61 67 Br 0.09886257766506 0.16666666666667 0.46988167586451 79.904 > 67 68 Br 0.09886257766506 0.50000000000000 0.46988167586451 79.904 > 67 69 Br 0.09886257766506 0.83333333333333 0.46988167586451 79.904 > 67 70 Br 0.09886257766506 0.16666666666667 0.96988167586451 79.904 > 67 71 Br 0.09886257766506 0.50000000000000 0.96988167586451 79.904 > 67 72 Br 0.09886257766506 0.83333333333333 0.96988167586451 79.904 > 67 73 Br 0.36670102863875 0.16666666666667 0.35125329249240 79.904 > 73 74 Br 0.36670102863875 0.50000000000000 0.35125329249240 79.904 > 73 75 Br 0.36670102863875 0.83333333333333 0.35125329249240 79.904 > 73 76 Br 0.36670102863875 0.16666666666667 0.85125329249240 79.904 > 73 77 Br 0.36670102863875 0.50000000000000 0.85125329249240 79.904 > 73 78 Br 0.36670102863875 0.83333333333333 0.85125329249240 79.904 > 73 79 Br 0.00000000000000 0.16666666666667 0.25000000000000 79.904 > 79 80 Br 0.00000000000000 0.50000000000000 0.25000000000000 79.904 > 79 81 Br 0.00000000000000 0.83333333333333 0.25000000000000 79.904 > 79 82 Br 0.00000000000000 0.16666666666667 0.75000000000000 79.904 > 79 83 Br 0.00000000000000 0.50000000000000 0.75000000000000 79.904 > 79 84 Br 0.00000000000000 0.83333333333333 0.75000000000000 79.904 > 79 85 Br 0.13329897136125 0.00000000000000 0.14874670750760 79.904 > 85 86 Br 0.13329897136125 0.33333333333333 0.14874670750760 79.904 > 85 87 Br 0.13329897136125 0.66666666666667 0.14874670750760 79.904 > 85 88 Br 0.13329897136125 0.00000000000000 0.64874670750760 79.904 > 85 89 Br 0.13329897136125 0.33333333333333 0.64874670750760 79.904 > 85 90 Br 0.13329897136125 0.66666666666667 0.64874670750760 79.904 > 85 91 Br 0.90113742233494 0.16666666666667 0.03011832413549 79.904 > 61 92 Br 0.90113742233494 0.50000000000000 0.03011832413549 79.904 > 61 93 Br 0.90113742233494 0.83333333333333 0.03011832413549 79.904 > 61 94 Br 0.90113742233494 0.16666666666667 0.53011832413549 79.904 > 61 95 Br 0.90113742233494 0.50000000000000 0.53011832413549 79.904 > 61 96 Br 0.90113742233494 0.83333333333333 0.53011832413549 79.904 > 61 97 Br 0.59886257766506 0.00000000000000 0.46988167586451 79.904 > 67 98 Br 0.59886257766506 0.33333333333333 0.46988167586451 79.904 > 67 99 Br 0.59886257766506 0.66666666666667 0.46988167586451 79.904 > 67 100 Br 0.59886257766506 0.00000000000000 0.96988167586451 79.904 > 67 101 Br 0.59886257766506 0.33333333333333 0.96988167586451 79.904 > 67 102 Br 0.59886257766506 0.66666666666667 0.96988167586451 79.904 > 67 103 Br 0.86670102863875 0.00000000000000 0.35125329249240 79.904 > 73 104 Br 0.86670102863875 0.33333333333333 0.35125329249240 79.904 > 73 105 Br 0.86670102863875 0.66666666666667 0.35125329249240 79.904 > 73 106 Br 0.86670102863875 0.00000000000000 0.85125329249240 79.904 > 73 107 Br 0.86670102863875 0.33333333333333 0.85125329249240 79.904 > 73 108 Br 0.86670102863875 0.66666666666667 0.85125329249240 79.904 > 73 109 Br 0.50000000000000 0.00000000000000 0.25000000000000 79.904 > 79 110 Br 0.50000000000000 0.33333333333333 0.25000000000000 79.904 > 79 111 Br 0.50000000000000 0.66666666666667 0.25000000000000 79.904 > 79 112 Br 0.50000000000000 0.00000000000000 0.75000000000000 79.904 > 79 113 Br 0.50000000000000 0.33333333333333 0.75000000000000 79.904 > 79 114 Br 0.50000000000000 0.66666666666667 0.75000000000000 79.904 > 79 115 Br 0.63329897136125 0.16666666666667 0.14874670750760 79.904 > 85 116 Br 0.63329897136125 0.50000000000000 0.14874670750760 79.904 > 85 117 Br 0.63329897136125 0.83333333333333 0.14874670750760 79.904 > 85 118 Br 0.63329897136125 0.16666666666667 0.64874670750760 79.904 > 85 119 Br 0.63329897136125 0.50000000000000 0.64874670750760 79.904 > 85 120 Br 0.63329897136125 0.83333333333333 0.64874670750760 79.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0218532 0.0000000 -0.0100873 0.0000000 2.9860980 0.0000000 -0.0100891 0.0000000 3.0158571 -------------------------- Born effective charges -------------------------- 1 Cs 1.4473645 0.0000000 0.0848992 0.0000000 1.1879259 0.0000000 0.1016552 0.0000000 1.2990711 2 Cs 1.4473645 0.0000000 0.0848992 0.0000000 1.1879259 0.0000000 0.1016552 0.0000000 1.2990711 3 Li 0.9368866 0.0000000 -0.0857262 0.0000000 1.0538259 0.0000000 -0.1111844 0.0000000 1.0134057 4 Li 0.9368866 0.0000000 -0.0857262 0.0000000 1.0538259 0.0000000 -0.1111844 0.0000000 1.0134057 5 Li 1.0363080 0.0000000 0.0132915 0.0000000 1.3253889 0.0000000 -0.0238670 0.0000000 1.1807204 6 Br -1.2130321 0.0000000 -0.0133700 0.0000000 -1.1430625 0.0000000 0.0101617 0.0000000 -1.1925772 7 Br -1.2130321 0.0000000 -0.0133700 0.0000000 -1.1430625 0.0000000 0.0101617 0.0000000 -1.1925772 8 Br -1.1026231 0.0000000 -0.0395280 0.0000000 -1.2998325 0.0000000 -0.0465741 0.0000000 -1.0317821 9 Br -1.1734999 0.0000000 0.0941586 0.0000000 -0.9231026 0.0000000 0.1157503 0.0000000 -1.3569554 10 Br -1.1026231 0.0000000 -0.0395280 0.0000000 -1.2998325 0.0000000 -0.0465741 0.0000000 -1.0317821 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 6 ] 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: 0.62, Number of G-points: 289, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/242) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 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 1.016 ( 0.000 0.000 0.000) 0.000 1.193 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.413 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.189 ( 0.000 0.000 0.000) 0.000 2.582 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 0.000) 0.000 9.135 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.341 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/242) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 3.127 -13.518 1.232) 13.930 0.304 ( -5.282 -16.623 3.715) 17.833 0.518 ( 14.006 -21.566 2.394) 25.826 1.061 ( -0.673 -4.150 -0.304) 4.215 1.231 ( -2.640 -4.178 2.450) 5.516 1.255 ( 3.483 -0.354 -2.657) 4.395 1.443 ( -1.464 3.543 -0.478) 3.864 1.600 ( -1.938 -0.514 -0.538) 2.076 1.668 ( 0.463 -4.643 1.480) 4.895 1.772 ( -1.626 0.994 -1.092) 2.196 1.842 ( -1.565 1.825 0.055) 2.405 2.001 ( -1.616 -1.658 -1.526) 2.773 2.058 ( 1.323 -2.470 -0.022) 2.802 2.134 ( -0.640 -3.890 1.105) 4.095 2.138 ( 3.469 -1.377 -0.097) 3.733 2.444 ( -3.015 -4.922 -0.723) 5.817 2.585 ( 2.930 1.199 -1.064) 3.340 2.765 ( 0.097 1.001 -0.387) 1.077 2.825 ( 2.424 1.925 2.582) 4.031 3.159 ( -1.889 3.921 -0.822) 4.429 3.419 ( 0.265 -1.193 -0.071) 1.224 4.863 ( -33.934 -14.571 -15.840) 40.184 5.215 ( 18.565 10.116 4.852) 21.692 6.099 ( -0.980 7.971 4.453) 9.183 9.134 ( 0.191 0.323 -0.043) 0.377 9.545 ( -1.633 -6.583 2.416) 7.199 9.806 ( -5.088 2.491 -3.022) 6.421 9.907 ( -31.937 -12.898 -22.794) 41.303 10.311 ( -0.492 -1.005 0.065) 1.121 10.502 ( 33.021 15.725 20.537) 41.945 ======================= Grid point 2 (3/242) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 3.025 -11.941 1.920) 12.467 0.598 ( -6.555 -16.222 2.975) 17.748 0.964 ( 11.486 -15.998 0.969) 19.718 1.130 ( -5.099 -3.868 0.009) 6.400 1.255 ( 2.513 1.098 -2.307) 3.583 1.346 ( 1.163 -7.054 -2.181) 7.475 1.402 ( -0.154 -1.221 2.174) 2.498 1.586 ( -2.879 0.247 -1.396) 3.209 1.737 ( -2.420 1.272 -0.316) 2.752 1.767 ( 1.374 -0.372 3.196) 3.499 1.807 ( -1.191 -2.805 -0.302) 3.062 2.011 ( -3.862 -2.603 -0.214) 4.662 2.116 ( 3.761 -1.862 -0.524) 4.229 2.189 ( 1.756 -2.474 1.580) 3.421 2.276 ( 0.133 -8.900 -1.528) 9.031 2.530 ( -3.268 -5.098 1.753) 6.304 2.571 ( 3.041 1.028 -3.577) 4.806 2.737 ( 0.062 1.691 -0.967) 1.949 2.803 ( 1.152 1.906 2.579) 3.407 3.052 ( -2.295 5.096 -1.377) 5.756 3.459 ( 0.098 -2.998 0.099) 3.002 4.823 ( -5.127 9.159 -0.934) 10.538 5.178 ( -0.212 -3.734 -5.036) 6.273 5.914 ( -0.146 10.836 3.064) 11.262 9.116 ( 0.599 1.891 -0.218) 1.995 9.695 ( -2.786 -0.566 3.196) 4.277 9.708 ( 1.443 -1.936 -3.096) 3.926 9.925 ( -14.533 -6.652 -11.737) 19.830 10.336 ( -0.898 -1.833 0.204) 2.051 10.413 ( 12.683 9.723 12.092) 20.040 ======================= Grid point 3 (4/242) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 1.295 -8.705 2.081) 9.044 0.867 ( -7.713 -14.829 1.599) 16.791 1.101 ( -1.795 3.107 -1.044) 3.737 1.209 ( 0.724 -6.241 -5.451) 8.318 1.319 ( 0.619 -5.193 3.457) 6.269 1.438 ( -0.660 -2.220 0.681) 2.414 1.484 ( -0.311 -4.882 -1.755) 5.197 1.610 ( 4.387 -3.894 1.657) 6.095 1.695 ( -1.609 0.935 0.518) 1.932 1.746 ( 2.917 2.408 1.709) 4.150 1.894 ( 0.090 -4.393 0.031) 4.394 2.073 ( -2.389 -4.215 1.177) 4.986 2.179 ( 1.964 -4.237 -1.916) 5.048 2.241 ( 0.395 -1.570 1.238) 2.039 2.418 ( -0.519 -5.106 -3.067) 5.979 2.541 ( 1.034 1.291 0.824) 1.848 2.626 ( 0.006 -3.260 -0.171) 3.264 2.710 ( 0.041 -0.473 -2.439) 2.485 2.781 ( 0.041 1.267 2.792) 3.067 2.956 ( -1.612 2.612 -1.163) 3.282 3.537 ( -0.046 -4.906 0.189) 4.910 4.468 ( 2.151 24.917 0.347) 25.012 5.290 ( -5.030 -8.630 -3.844) 10.704 5.731 ( 0.027 8.375 2.476) 8.733 9.066 ( 0.522 3.423 -0.325) 3.478 9.564 ( -0.305 7.236 -0.181) 7.245 9.811 ( -0.213 -1.819 -2.092) 2.781 9.973 ( -7.477 -6.693 -4.917) 11.175 10.348 ( 4.049 1.817 2.900) 5.301 10.382 ( 0.621 -1.217 6.449) 6.592 ======================= Grid point 4 (5/242) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -1.294 -4.527 -0.386) 4.724 1.016 ( -1.861 2.426 -1.113) 3.254 1.090 ( -7.453 -10.815 0.455) 13.142 1.280 ( 0.445 -1.316 -2.212) 2.612 1.378 ( -4.138 -2.924 3.845) 6.360 1.479 ( 0.303 -2.102 -0.173) 2.131 1.538 ( -2.049 -2.375 -1.194) 3.357 1.677 ( 1.003 1.355 -0.014) 1.686 1.712 ( 5.345 1.331 1.950) 5.843 1.746 ( 3.864 -2.122 2.505) 5.071 2.001 ( 1.127 -6.616 -0.338) 6.720 2.108 ( 1.190 0.080 -0.506) 1.295 2.256 ( -0.642 -0.107 0.427) 0.778 2.295 ( -0.822 -6.797 -1.927) 7.113 2.425 ( 0.075 1.885 -3.845) 4.283 2.541 ( 0.251 0.176 2.498) 2.516 2.623 ( 0.175 1.875 0.369) 1.919 2.754 ( 0.561 -2.061 -1.799) 2.793 2.763 ( -1.002 1.494 2.097) 2.763 2.972 ( -0.084 -5.298 -0.600) 5.332 3.637 ( 0.099 -4.735 0.191) 4.740 3.961 ( 1.399 26.351 0.073) 26.389 5.404 ( -3.984 -6.141 -1.938) 7.573 5.611 ( -0.083 4.696 2.083) 5.138 8.993 ( 0.075 3.988 -0.283) 3.998 9.430 ( -0.204 6.218 -0.396) 6.234 9.795 ( 0.074 1.747 -1.589) 2.363 10.032 ( -4.167 -3.196 -1.791) 5.548 10.373 ( 0.582 -1.710 0.000) 1.806 10.451 ( 1.465 -3.625 6.105) 7.250 ======================= Grid point 5 (6/242) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -1.109 0.731 -2.647) 2.961 0.979 ( -1.350 0.480 0.427) 1.495 1.208 ( -4.582 -3.676 0.432) 5.890 1.294 ( -0.852 -1.924 1.646) 2.671 1.425 ( -2.370 -2.584 1.320) 3.747 1.476 ( -0.072 2.066 -1.222) 2.402 1.592 ( -0.379 -3.072 1.244) 3.336 1.655 ( 0.300 0.134 -1.290) 1.331 1.695 ( 3.371 2.626 1.986) 4.712 1.768 ( 0.301 1.877 -0.002) 1.901 2.104 ( 1.574 0.250 0.189) 1.605 2.138 ( 2.724 -5.640 -0.311) 6.271 2.248 ( -1.539 0.128 -0.115) 1.549 2.336 ( 1.542 2.575 -4.306) 5.249 2.436 ( -1.811 -4.689 0.559) 5.057 2.533 ( 1.127 1.420 1.711) 2.493 2.591 ( 0.161 1.409 0.215) 1.434 2.723 ( -1.574 1.821 0.856) 2.555 2.779 ( 0.280 -0.922 -0.463) 1.069 3.091 ( 0.584 -5.297 -0.283) 5.337 3.516 ( 0.797 15.596 0.143) 15.617 3.742 ( -0.408 -2.801 -0.074) 2.831 5.467 ( -1.862 -2.394 -0.952) 3.179 5.556 ( -0.435 1.476 1.501) 2.150 8.924 ( -0.166 2.740 -0.146) 2.749 9.332 ( -0.137 3.555 -0.363) 3.576 9.761 ( 0.130 1.334 -0.528) 1.441 10.052 ( -1.850 -1.168 -0.671) 2.288 10.399 ( -0.457 -1.039 -0.232) 1.159 10.543 ( 1.261 -3.119 3.243) 4.673 ======================= Grid point 6 (7/242) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 -0.000 0.000) 0.000 0.964 ( 0.000 -0.000 0.000) 0.000 1.222 ( 0.000 -0.000 0.000) 0.000 1.325 ( 0.000 -0.000 0.000) 0.000 1.441 ( -0.000 -0.000 0.000) 0.000 1.448 ( 0.000 0.000 -0.000) 0.000 1.626 ( 0.000 -0.000 -0.000) 0.000 1.655 ( 0.000 -0.000 0.000) 0.000 1.680 ( 0.000 -0.000 0.000) 0.000 1.735 ( 0.000 -0.000 0.000) 0.000 2.107 ( 0.000 -0.000 0.000) 0.000 2.215 ( 0.000 -0.000 0.000) 0.000 2.253 ( 0.000 0.000 -0.000) 0.000 2.283 ( 0.000 -0.000 0.000) 0.000 2.503 ( 0.000 -0.000 0.000) 0.000 2.506 ( -0.000 -0.000 -0.000) 0.000 2.577 ( 0.000 -0.000 0.000) 0.000 2.699 ( 0.000 -0.000 0.000) 0.000 2.789 ( 0.000 -0.000 0.000) 0.000 3.146 ( 0.000 -0.000 0.000) 0.000 3.363 ( 0.000 -0.000 -0.000) 0.000 3.773 ( 0.000 -0.000 0.000) 0.000 5.480 ( 0.000 -0.000 -0.000) 0.000 5.546 ( 0.000 -0.000 0.000) 0.000 8.896 ( 0.000 -0.000 0.000) 0.000 9.296 ( 0.000 -0.000 -0.000) 0.000 9.747 ( 0.000 -0.000 0.000) 0.000 10.058 ( 0.000 -0.000 0.000) 0.000 10.408 ( 0.000 -0.000 0.000) 0.000 10.582 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/242) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( 15.759 -0.000 2.139) 15.904 0.195 ( 15.710 -0.000 4.795) 16.425 0.332 ( 24.455 -0.000 13.199) 27.789 1.018 ( 1.192 -0.000 -1.726) 2.097 1.203 ( -8.826 0.000 10.065) 13.387 1.293 ( 2.381 -0.000 2.969) 3.806 1.404 ( -1.486 0.000 -0.221) 1.502 1.594 ( -1.314 0.000 1.470) 1.972 1.602 ( -1.815 0.000 -2.543) 3.124 1.812 ( 0.571 -0.000 -13.539) 13.551 1.855 ( 0.545 -0.000 -3.151) 3.198 1.915 ( 0.601 -0.000 -0.678) 0.906 2.016 ( -2.509 0.000 0.015) 2.509 2.104 ( -0.806 0.000 0.405) 0.902 2.200 ( 1.759 -0.000 0.086) 1.761 2.297 ( 1.905 -0.000 0.666) 2.018 2.650 ( 2.699 -0.000 -5.293) 5.941 2.779 ( 0.477 -0.000 0.417) 0.634 3.048 ( -7.522 0.000 -0.230) 7.526 3.246 ( 5.446 -0.000 -0.326) 5.456 3.435 ( -0.181 0.000 1.456) 1.467 3.594 ( 0.057 -0.000 -0.070) 0.091 5.508 ( 2.015 -0.000 -3.740) 4.249 6.195 ( -7.623 0.000 19.975) 21.380 9.072 ( 0.006 -0.000 -0.032) 0.032 9.135 ( 0.062 -0.000 0.016) 0.064 9.499 ( 4.711 -0.000 -9.184) 10.322 9.866 ( 1.162 -0.000 0.450) 1.246 10.297 ( -0.982 0.000 0.078) 0.985 11.132 ( -1.056 0.000 1.299) 1.674 ======================= Grid point 15 (9/242) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( 4.485 -9.372 5.950) 11.973 0.395 ( 10.366 -9.187 5.272) 14.821 0.723 ( 18.623 -16.712 5.286) 25.574 1.047 ( -1.432 -2.357 -0.375) 2.783 1.213 ( -1.851 -4.604 -0.066) 4.963 1.285 ( 3.246 0.289 -0.479) 3.294 1.412 ( -3.105 1.474 -1.606) 3.794 1.567 ( -3.124 0.197 -0.748) 3.218 1.668 ( -2.869 -5.956 1.405) 6.758 1.739 ( -2.244 0.971 -1.813) 3.043 1.819 ( -2.635 1.985 0.458) 3.331 1.973 ( -2.030 -0.972 -1.347) 2.623 2.066 ( 0.826 -5.531 -1.052) 5.690 2.128 ( -0.663 -3.780 0.168) 3.842 2.193 ( 4.766 0.215 0.851) 4.846 2.403 ( -2.987 -5.949 -0.567) 6.681 2.610 ( 2.928 2.255 -3.172) 4.870 2.769 ( 0.646 1.335 0.340) 1.522 2.874 ( 2.582 4.590 3.129) 6.126 3.122 ( -2.882 4.375 -1.297) 5.397 3.424 ( 0.627 -0.977 -0.088) 1.165 4.453 ( -24.730 -34.801 -12.914) 44.603 5.348 ( 7.000 12.417 -0.912) 14.284 6.119 ( -1.115 8.288 7.541) 11.261 9.138 ( 0.510 0.113 -0.111) 0.534 9.457 ( -20.245 -21.344 -1.522) 29.457 9.571 ( 1.519 -7.582 -10.409) 12.967 9.838 ( 1.423 3.451 0.036) 3.733 10.301 ( -1.450 -1.043 0.251) 1.804 10.816 ( 12.751 20.560 9.573) 26.018 ======================= Grid point 16 (10/242) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -2.301 -13.458 4.244) 14.297 0.635 ( 6.314 -9.005 5.101) 12.124 1.066 ( -0.195 -5.729 -2.920) 6.433 1.107 ( 6.529 -6.734 3.336) 9.955 1.245 ( -0.130 -0.930 -4.441) 4.539 1.373 ( 2.259 -6.768 1.405) 7.272 1.390 ( -2.145 -1.550 -1.133) 2.879 1.560 ( -0.462 -2.065 0.109) 2.119 1.700 ( -3.545 0.678 -1.003) 3.746 1.778 ( -2.395 -0.684 0.566) 2.554 1.803 ( 0.208 -5.287 2.779) 5.976 1.976 ( -2.570 -2.079 0.429) 3.333 2.145 ( 2.433 -2.025 -1.193) 3.383 2.220 ( 1.569 -1.703 2.775) 3.614 2.270 ( 1.183 -8.290 -2.965) 8.884 2.499 ( -3.571 -5.863 0.910) 6.925 2.583 ( 2.911 1.034 -4.772) 5.685 2.738 ( 0.475 2.166 0.026) 2.217 2.827 ( 0.592 2.551 2.611) 3.699 3.014 ( -2.780 4.448 -1.519) 5.461 3.461 ( 0.191 -2.838 0.122) 2.847 4.744 ( -7.369 -5.644 -2.284) 9.559 5.153 ( 0.611 6.079 -5.331) 8.108 5.933 ( 0.024 11.208 4.289) 12.001 9.123 ( 0.993 1.947 -0.367) 2.216 9.642 ( -8.783 -4.546 -2.592) 10.224 9.705 ( 0.489 -7.671 -1.270) 7.790 9.785 ( -2.752 -1.557 -4.049) 5.137 10.323 ( -1.826 -1.938 0.612) 2.732 10.574 ( 7.466 12.943 9.037) 17.462 ======================= Grid point 17 (11/242) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -2.616 -10.931 3.336) 11.724 0.814 ( -0.841 -7.653 3.078) 8.291 1.071 ( -1.998 2.461 -1.665) 3.581 1.186 ( 0.300 -5.250 -4.771) 7.100 1.338 ( -0.972 -2.122 3.508) 4.213 1.407 ( -3.603 -4.362 -1.028) 5.750 1.478 ( -0.420 -2.450 -1.877) 3.115 1.673 ( 2.918 -4.423 1.765) 5.585 1.693 ( 2.848 -2.508 0.462) 3.823 1.781 ( 1.502 0.515 2.273) 2.772 1.894 ( 0.416 -4.399 -0.397) 4.437 2.059 ( -1.314 -6.114 1.647) 6.467 2.182 ( 0.563 -2.344 -2.664) 3.593 2.256 ( 0.825 -0.510 2.070) 2.286 2.398 ( -0.044 -4.209 -3.348) 5.379 2.548 ( -0.632 -0.028 0.462) 0.783 2.628 ( 1.068 -4.019 -1.354) 4.373 2.705 ( 1.002 0.055 -1.639) 1.921 2.793 ( -0.423 1.581 2.883) 3.315 2.932 ( -1.731 1.837 -1.032) 2.727 3.537 ( -0.121 -4.860 0.146) 4.864 4.500 ( 3.293 24.962 0.552) 25.185 5.204 ( -6.875 -10.282 -4.359) 13.115 5.745 ( 0.094 8.672 2.806) 9.115 9.071 ( 0.666 3.720 -0.436) 3.804 9.557 ( -0.789 6.659 -0.484) 6.723 9.794 ( -0.137 -2.046 -3.728) 4.255 9.888 ( -5.242 -8.247 -1.260) 9.853 10.351 ( -1.535 -1.494 0.418) 2.182 10.460 ( 3.588 3.477 8.088) 9.507 ======================= Grid point 18 (12/242) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -1.034 -2.484 -0.054) 2.691 0.979 ( -4.358 -3.280 -0.407) 5.469 1.032 ( -3.233 -5.222 0.904) 6.208 1.273 ( 0.214 -2.490 -1.912) 3.147 1.359 ( -3.107 -2.513 4.085) 5.715 1.479 ( -0.610 -1.305 -0.586) 1.555 1.500 ( -3.121 -4.809 -1.212) 5.859 1.686 ( 1.446 1.757 -1.081) 2.519 1.762 ( 1.619 1.147 1.456) 2.461 1.795 ( 2.921 -0.548 2.062) 3.617 2.026 ( 3.777 -7.253 -0.010) 8.178 2.117 ( 1.403 -0.136 -1.170) 1.832 2.254 ( -0.622 0.100 0.992) 1.175 2.276 ( -1.113 -6.278 -0.690) 6.413 2.412 ( 1.048 1.287 -3.551) 3.919 2.548 ( -0.657 -0.208 1.000) 1.215 2.627 ( 0.018 1.856 0.869) 2.050 2.753 ( 0.994 -1.930 -1.832) 2.841 2.763 ( -0.927 2.434 2.323) 3.491 2.969 ( 0.103 -6.380 -0.600) 6.409 3.638 ( -0.068 -5.107 0.083) 5.108 3.979 ( 1.803 27.740 0.060) 27.798 5.348 ( -4.673 -7.974 -1.580) 9.376 5.620 ( -0.107 4.985 1.871) 5.325 8.993 ( 0.062 4.208 -0.317) 4.220 9.425 ( -0.306 6.148 -0.518) 6.177 9.791 ( 0.681 1.374 -1.493) 2.140 9.980 ( -4.003 -4.538 -1.296) 6.189 10.371 ( -0.742 -1.432 0.426) 1.668 10.500 ( 1.885 -2.774 5.577) 6.508 ======================= Grid point 19 (13/242) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -0.730 -0.127 -1.503) 1.676 0.966 ( -1.248 0.312 -0.192) 1.300 1.157 ( -4.789 -6.344 0.419) 7.960 1.289 ( -1.280 -0.927 0.664) 1.715 1.407 ( -2.242 -2.511 1.481) 3.678 1.470 ( -0.097 1.103 -1.251) 1.671 1.598 ( 0.077 -4.231 2.123) 4.735 1.654 ( 0.975 1.030 -1.609) 2.145 1.721 ( -0.008 2.723 0.426) 2.756 1.783 ( 2.110 3.291 0.771) 3.985 2.119 ( 1.712 0.407 -0.684) 1.888 2.170 ( 2.946 -5.251 0.168) 6.023 2.237 ( -1.361 0.792 1.587) 2.236 2.331 ( 1.509 2.258 -3.890) 4.744 2.420 ( -1.329 -4.223 -0.107) 4.428 2.548 ( 0.525 0.571 0.176) 0.795 2.597 ( 0.053 1.458 1.187) 1.881 2.713 ( -1.270 1.981 1.523) 2.803 2.778 ( 0.078 -0.957 -0.949) 1.350 3.096 ( 0.658 -5.187 -0.287) 5.237 3.525 ( 0.757 16.477 0.050) 16.494 3.737 ( -0.430 -3.227 -0.115) 3.257 5.444 ( -1.865 -4.046 -0.284) 4.464 5.557 ( -0.466 1.887 0.888) 2.137 8.922 ( -0.177 2.693 -0.137) 2.702 9.328 ( -0.173 3.401 -0.391) 3.428 9.762 ( 0.430 1.377 -0.272) 1.468 10.027 ( -2.004 -2.518 -0.966) 3.361 10.396 ( -0.309 -1.150 0.473) 1.281 10.570 ( 1.026 -1.859 2.597) 3.355 ======================= Grid point 20 (14/242) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.229 -1.068 0.485) 1.195 0.964 ( -0.029 -1.068 0.016) 1.069 1.212 ( -0.781 -1.893 -1.766) 2.704 1.312 ( -1.821 -1.405 -0.610) 2.379 1.431 ( -2.344 -1.232 3.293) 4.226 1.458 ( 2.177 -0.467 -2.971) 3.713 1.619 ( -0.346 1.203 -1.130) 1.686 1.664 ( 0.789 0.260 1.346) 1.582 1.693 ( 1.186 1.225 0.944) 1.949 1.743 ( 1.433 0.312 0.613) 1.589 2.106 ( 0.051 1.323 -0.634) 1.468 2.205 ( -1.906 2.362 0.601) 3.094 2.253 ( -0.255 -1.615 0.555) 1.727 2.292 ( 1.748 -0.170 -0.452) 1.814 2.480 ( -1.955 -2.657 -1.159) 3.497 2.521 ( 1.388 2.775 -0.650) 3.170 2.582 ( 0.163 0.423 1.455) 1.524 2.702 ( 0.336 -0.898 0.537) 1.099 2.786 ( -0.353 -0.099 -0.565) 0.674 3.146 ( 0.039 0.345 -0.017) 0.347 3.363 ( -0.017 0.277 -0.050) 0.282 3.772 ( -0.036 -0.213 -0.039) 0.220 5.484 ( 0.358 -0.810 0.773) 1.176 5.542 ( -0.363 -0.287 -0.739) 0.872 8.896 ( -0.008 -0.176 0.007) 0.177 9.296 ( -0.026 -0.200 -0.017) 0.203 9.749 ( 0.185 0.054 0.177) 0.262 10.054 ( -0.341 -1.242 -0.460) 1.368 10.412 ( 0.363 -0.232 0.642) 0.773 10.580 ( -0.176 1.466 -0.350) 1.517 ======================= Grid point 21 (15/242) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 0.904 -1.991 2.947) 3.669 0.990 ( 1.301 -0.260 -0.996) 1.658 1.243 ( 2.622 -1.098 -1.131) 3.060 1.295 ( 0.515 2.512 -0.943) 2.732 1.445 ( 2.220 1.348 -0.657) 2.679 1.485 ( 0.525 -1.276 0.975) 1.690 1.590 ( 0.161 1.666 -0.838) 1.872 1.638 ( -2.584 0.022 -2.306) 3.463 1.672 ( -0.277 1.149 2.544) 2.805 1.761 ( -0.722 0.523 -1.511) 1.754 2.084 ( -1.495 -0.085 -0.666) 1.639 2.119 ( -1.524 4.976 0.775) 5.261 2.269 ( 1.677 0.375 0.972) 1.974 2.340 ( -1.509 -3.366 4.187) 5.580 2.447 ( 1.189 4.525 -2.339) 5.231 2.513 ( -0.736 -1.672 -1.279) 2.230 2.591 ( -0.120 -1.049 0.523) 1.179 2.737 ( 1.480 -1.652 -0.471) 2.267 2.776 ( -0.576 0.657 0.095) 0.879 3.087 ( -0.385 5.344 0.207) 5.361 3.508 ( -0.604 -14.810 -0.165) 14.823 3.746 ( 0.282 2.419 0.030) 2.436 5.492 ( 1.487 1.151 1.648) 2.500 5.550 ( 0.174 -1.291 -2.017) 2.401 8.927 ( 0.115 -2.778 0.113) 2.783 9.334 ( 0.076 -3.677 0.247) 3.686 9.764 ( 0.095 -1.405 0.569) 1.519 10.071 ( 1.224 -0.369 0.209) 1.295 10.409 ( 0.711 1.156 1.310) 1.886 10.512 ( -1.320 4.442 -3.399) 5.747 ======================= Grid point 22 (16/242) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 0.912 6.187 0.301) 6.261 1.036 ( 1.113 -3.814 0.740) 4.042 1.166 ( 5.970 10.851 0.025) 12.385 1.285 ( -0.538 0.410 2.158) 2.262 1.411 ( 5.024 3.884 -3.068) 7.052 1.476 ( -0.297 1.920 0.654) 2.050 1.553 ( -0.312 1.587 0.595) 1.723 1.626 ( -5.552 0.294 -2.517) 6.103 1.681 ( -1.229 -1.764 1.746) 2.770 1.695 ( -2.425 2.458 -2.900) 4.509 1.998 ( 0.105 6.111 0.190) 6.115 2.098 ( -0.803 -0.580 0.048) 0.992 2.263 ( 0.718 0.968 -0.147) 1.214 2.310 ( 0.130 7.119 1.937) 7.379 2.444 ( 0.183 -3.310 2.645) 4.241 2.524 ( -0.367 0.332 -2.459) 2.508 2.620 ( -0.134 -1.771 0.014) 1.776 2.757 ( -0.326 1.293 1.453) 1.972 2.763 ( 0.757 -0.310 -1.653) 1.844 2.976 ( 0.134 4.430 0.397) 4.450 3.634 ( -0.132 4.377 -0.167) 4.382 3.949 ( -0.742 -25.300 -0.047) 25.310 5.448 ( 2.336 4.886 1.566) 5.638 5.602 ( -0.010 -4.587 -1.604) 4.859 8.994 ( -0.052 -3.818 0.167) 3.822 9.433 ( 0.091 -6.234 0.204) 6.238 9.803 ( 0.151 -2.104 1.072) 2.366 10.083 ( 3.260 0.768 1.690) 3.752 10.354 ( -2.303 5.199 -0.763) 5.737 10.418 ( 0.145 2.394 -3.544) 4.279 ======================= Grid point 23 (17/242) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -0.451 10.269 -0.677) 10.302 0.937 ( 4.976 15.108 -0.389) 15.911 1.110 ( -0.573 -0.741 0.112) 0.943 1.219 ( -1.081 5.865 3.000) 6.675 1.304 ( 0.655 6.837 -2.102) 7.183 1.422 ( -1.789 3.601 0.257) 4.029 1.496 ( 0.383 5.668 -0.322) 5.690 1.584 ( -0.085 -0.990 0.165) 1.008 1.701 ( -0.211 -3.177 -2.173) 3.855 1.717 ( -0.902 -2.042 0.933) 2.420 1.892 ( -0.164 4.953 -0.060) 4.956 2.093 ( 1.688 1.210 -0.672) 2.183 2.165 ( -1.523 7.014 0.960) 7.241 2.234 ( -0.094 2.362 -0.410) 2.399 2.436 ( 0.416 6.403 1.379) 6.563 2.525 ( -0.781 -2.422 -0.570) 2.607 2.627 ( 0.062 2.341 -0.111) 2.344 2.724 ( 0.269 0.854 1.708) 1.928 2.767 ( -0.176 -0.823 -1.705) 1.901 2.974 ( 0.667 -3.296 0.512) 3.402 3.536 ( 0.005 4.909 -0.089) 4.910 4.451 ( -0.749 -24.977 -0.117) 24.989 5.343 ( 1.876 7.502 1.614) 7.900 5.721 ( -0.009 -8.228 -1.053) 8.295 9.063 ( -0.198 -3.246 0.120) 3.255 9.567 ( 0.062 -7.321 0.033) 7.322 9.819 ( 0.100 2.194 0.654) 2.291 10.087 ( 7.387 2.115 6.372) 9.982 10.246 ( -6.796 0.904 -7.084) 9.859 10.378 ( 0.545 2.042 -0.746) 2.241 ======================= Grid point 24 (18/242) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.000 12.715 -0.000) 12.715 0.645 ( 0.000 16.447 -0.000) 16.447 0.883 ( 0.000 18.674 -0.000) 18.674 1.170 ( 0.000 6.387 -0.000) 6.387 1.231 ( -0.000 -2.222 0.000) 2.222 1.358 ( 0.000 7.503 -0.000) 7.503 1.389 ( -0.000 -0.937 0.000) 0.937 1.611 ( -0.000 -0.515 0.000) 0.515 1.745 ( 0.000 1.090 -0.000) 1.090 1.753 ( -0.000 -1.663 0.000) 1.663 1.815 ( 0.000 0.888 -0.000) 0.888 2.047 ( 0.000 3.566 -0.000) 3.566 2.082 ( 0.000 1.106 -0.000) 1.106 2.175 ( 0.000 3.272 -0.000) 3.272 2.279 ( 0.000 8.933 -0.000) 8.933 2.547 ( 0.000 5.026 -0.000) 5.026 2.560 ( -0.000 -1.326 0.000) 1.326 2.741 ( -0.000 -1.434 0.000) 1.434 2.787 ( -0.000 -1.473 0.000) 1.473 3.069 ( -0.000 -5.484 0.000) 5.484 3.458 ( 0.000 3.048 -0.000) 3.048 4.854 ( -0.000 -16.524 0.000) 16.524 5.195 ( 0.000 8.258 -0.000) 8.258 5.907 ( -0.000 -10.689 0.000) 10.689 9.113 ( -0.000 -1.871 0.000) 1.871 9.702 ( 0.000 8.681 -0.000) 8.681 9.705 ( -0.000 -6.717 0.000) 6.717 10.127 ( 0.000 0.199 -0.000) 0.199 10.225 ( -0.000 -3.776 0.000) 3.776 10.340 ( 0.000 1.827 -0.000) 1.827 ======================= Grid point 27 (19/242) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 15.681 -0.000 2.183) 15.833 0.384 ( 15.107 -0.000 4.612) 15.795 0.655 ( 23.522 -0.000 12.224) 26.509 1.025 ( 2.340 -0.000 -3.077) 3.866 1.159 ( -7.109 0.000 6.447) 9.597 1.327 ( 2.379 -0.000 0.088) 2.381 1.379 ( -3.010 0.000 -0.086) 3.011 1.557 ( -3.314 0.000 -4.362) 5.478 1.583 ( -2.336 0.000 2.075) 3.124 1.726 ( -6.543 0.000 -6.209) 9.020 1.849 ( 0.922 -0.000 -2.379) 2.551 1.910 ( -1.055 0.000 -1.528) 1.857 1.993 ( -1.393 0.000 0.685) 1.552 2.099 ( -0.941 0.000 1.128) 1.469 2.222 ( 2.035 -0.000 -0.004) 2.035 2.321 ( 1.386 -0.000 0.990) 1.703 2.642 ( 0.134 -0.000 -5.338) 5.340 2.790 ( 0.882 -0.000 0.993) 1.328 2.965 ( -6.634 0.000 -0.673) 6.668 3.301 ( 5.600 -0.000 -2.140) 5.995 3.442 ( -0.594 0.000 2.864) 2.925 3.594 ( 0.098 -0.000 -0.122) 0.157 5.512 ( 1.083 -0.000 -1.258) 1.660 6.220 ( -1.899 0.000 10.678) 10.845 9.072 ( 0.010 -0.000 -0.055) 0.055 9.136 ( 0.107 -0.000 0.028) 0.111 9.506 ( 2.504 -0.000 -3.595) 4.381 9.886 ( 1.984 -0.000 0.709) 2.106 10.283 ( -1.823 0.000 0.113) 1.827 11.125 ( -1.027 0.000 0.476) 1.132 ======================= Grid point 28 (20/242) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 11.505 -1.751 5.025) 12.676 0.549 ( 12.513 -6.218 5.852) 15.149 0.947 ( 16.374 -10.460 5.039) 20.072 1.032 ( -0.937 -1.373 0.954) 1.916 1.195 ( 0.355 -4.641 -2.567) 5.315 1.313 ( 0.757 0.172 2.094) 2.234 1.362 ( -3.937 0.654 -2.746) 4.844 1.532 ( -2.359 -0.241 -0.811) 2.506 1.615 ( -6.519 -4.791 -1.117) 8.167 1.710 ( -2.953 -2.449 -0.142) 3.839 1.795 ( -2.082 2.178 0.479) 3.051 1.947 ( -1.594 -1.202 -0.698) 2.115 2.070 ( 1.104 -7.409 -1.128) 7.575 2.123 ( -0.733 -3.023 0.679) 3.183 2.238 ( 3.057 -0.202 -0.006) 3.063 2.378 ( -1.894 -4.543 0.428) 4.941 2.606 ( 0.082 1.345 -5.913) 6.064 2.781 ( 0.780 1.612 0.986) 2.045 2.891 ( -1.254 3.198 1.349) 3.691 3.106 ( 0.788 7.863 0.163) 7.904 3.431 ( 0.739 -0.735 0.034) 1.043 4.212 ( -12.307 -35.212 -6.753) 37.908 5.394 ( 3.305 11.351 -1.306) 11.894 6.149 ( 0.034 8.643 6.771) 10.979 9.144 ( 0.673 -0.230 -0.140) 0.724 9.292 ( -8.456 -17.657 -2.973) 19.801 9.566 ( 1.416 -5.647 -2.022) 6.163 9.858 ( 2.008 4.024 0.323) 4.509 10.283 ( -2.149 -1.110 0.328) 2.441 10.930 ( 3.901 16.042 4.377) 17.080 ======================= Grid point 29 (21/242) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 3.522 -8.237 5.029) 10.274 0.745 ( 8.356 -5.539 6.519) 11.958 1.028 ( -2.767 -2.839 -1.470) 4.229 1.175 ( 2.698 2.525 -2.767) 4.616 1.236 ( 1.685 -7.849 -1.969) 8.265 1.331 ( -5.111 -0.694 -0.229) 5.163 1.415 ( 2.204 -4.995 0.346) 5.471 1.576 ( 1.582 -5.792 2.449) 6.484 1.663 ( -1.105 -2.188 -1.587) 2.920 1.745 ( -3.510 -3.938 -0.516) 5.301 1.814 ( -0.895 -3.799 2.643) 4.713 1.962 ( -0.874 -2.169 1.128) 2.596 2.156 ( 0.998 -1.516 -1.690) 2.480 2.242 ( -0.006 -4.599 2.578) 5.272 2.275 ( 2.273 -4.913 -2.809) 6.099 2.468 ( -2.998 -5.913 1.156) 6.729 2.580 ( 1.578 -0.303 -6.574) 6.767 2.745 ( 0.380 2.464 0.564) 2.556 2.837 ( -0.812 2.512 1.939) 3.275 2.989 ( -0.917 4.769 -0.213) 4.862 3.464 ( 0.253 -2.575 0.082) 2.589 4.656 ( -6.436 -16.602 -2.562) 17.990 5.140 ( 1.004 13.899 -3.634) 14.401 5.956 ( 0.377 11.751 4.094) 12.449 9.132 ( 1.081 2.030 -0.409) 2.336 9.530 ( -7.434 -10.994 -3.658) 13.766 9.708 ( 0.377 -7.725 0.156) 7.736 9.773 ( 0.961 4.147 -0.944) 4.360 10.303 ( -2.329 -2.047 0.680) 3.175 10.670 ( 3.631 13.267 6.226) 15.098 ======================= Grid point 30 (22/242) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -1.942 -9.788 3.399) 10.541 0.852 ( 2.143 -1.672 4.592) 5.336 1.048 ( -0.468 1.606 -1.793) 2.452 1.175 ( 1.487 -5.236 -3.253) 6.341 1.324 ( -4.423 -1.232 2.945) 5.454 1.369 ( -1.884 -6.091 -2.223) 6.752 1.445 ( -3.791 -0.700 -1.440) 4.115 1.691 ( 1.531 -2.667 -0.028) 3.076 1.738 ( 2.221 -3.851 0.325) 4.457 1.800 ( -0.107 -1.146 2.346) 2.613 1.912 ( 3.923 -6.627 -0.631) 7.727 2.059 ( -0.717 -6.914 2.150) 7.276 2.167 ( -0.446 -1.119 -3.036) 3.266 2.277 ( 0.781 0.176 2.643) 2.762 2.385 ( 0.427 -3.997 -2.661) 4.821 2.533 ( -1.956 -1.352 -0.202) 2.387 2.636 ( 1.901 -3.459 -1.765) 4.323 2.713 ( 1.822 -0.445 -1.380) 2.329 2.799 ( -1.199 1.242 2.704) 3.208 2.912 ( -1.143 1.869 -0.327) 2.215 3.536 ( -0.171 -4.742 0.035) 4.745 4.543 ( 4.006 25.507 0.697) 25.829 5.106 ( -7.292 -12.118 -3.739) 14.629 5.760 ( 0.183 9.061 2.423) 9.381 9.076 ( 0.612 4.048 -0.426) 4.116 9.543 ( -1.192 5.216 -0.726) 5.400 9.774 ( 0.164 -3.759 -4.026) 5.510 9.846 ( -2.895 -6.069 1.194) 6.829 10.334 ( -2.013 -2.017 0.605) 2.913 10.527 ( 2.204 4.181 6.051) 7.678 ======================= Grid point 31 (23/242) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -0.702 -1.282 -0.258) 1.484 0.934 ( -3.964 -5.104 2.105) 6.797 1.022 ( 0.384 -1.685 0.268) 1.749 1.264 ( -0.362 -2.253 -1.422) 2.688 1.349 ( -2.209 -2.354 2.979) 4.392 1.429 ( -4.716 -3.417 -3.449) 6.768 1.496 ( 0.109 -5.867 2.193) 6.265 1.699 ( 2.288 1.894 -1.654) 3.400 1.769 ( -0.242 1.619 -0.281) 1.661 1.818 ( -0.537 -0.633 1.123) 1.397 2.074 ( 4.718 -6.553 -0.058) 8.075 2.130 ( 1.860 -0.553 -0.661) 2.049 2.248 ( -0.793 -4.383 0.283) 4.463 2.271 ( -0.534 -1.575 1.633) 2.331 2.413 ( 2.011 1.042 -2.506) 3.378 2.536 ( -1.918 -0.773 -0.208) 2.079 2.631 ( -0.164 1.799 0.662) 1.924 2.755 ( 0.507 -0.924 -0.877) 1.371 2.768 ( 0.041 2.839 1.626) 3.272 2.968 ( 0.252 -7.410 -0.472) 7.430 3.636 ( -0.201 -5.353 -0.035) 5.357 3.999 ( 1.737 29.118 0.020) 29.170 5.293 ( -4.173 -9.873 -1.004) 10.765 5.627 ( -0.064 5.323 1.364) 5.495 8.992 ( 0.032 4.415 -0.266) 4.423 9.419 ( -0.319 6.031 -0.492) 6.059 9.796 ( 1.313 1.249 -1.086) 2.113 9.935 ( -3.432 -5.188 -0.726) 6.263 10.364 ( -1.019 -1.900 0.553) 2.226 10.542 ( 1.396 -1.982 4.088) 4.753 ======================= Grid point 32 (24/242) ======================= q-point: ( 0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.131 -0.566 -0.411) 0.712 0.951 ( -1.156 -0.254 -0.390) 1.246 1.116 ( -3.032 -5.911 0.631) 6.673 1.271 ( -1.799 -0.757 -0.766) 2.097 1.393 ( -1.591 -2.274 1.282) 3.057 1.460 ( -0.460 -1.085 -1.283) 1.742 1.614 ( 0.438 -3.948 2.635) 4.767 1.661 ( 1.720 1.574 -1.005) 2.539 1.716 ( -0.132 2.351 -0.648) 2.442 1.801 ( 0.106 1.949 0.500) 2.015 2.139 ( 2.835 0.840 -0.603) 3.018 2.196 ( 1.669 -3.803 -0.003) 4.153 2.230 ( -1.885 1.489 1.878) 3.049 2.335 ( 2.349 1.862 -2.076) 3.646 2.405 ( -1.209 -3.139 -0.499) 3.401 2.548 ( -0.193 -0.562 -0.455) 0.749 2.601 ( -0.216 1.049 0.675) 1.266 2.713 ( -0.559 2.182 2.171) 3.128 2.772 ( -0.021 -0.790 -1.290) 1.513 3.102 ( 0.536 -5.045 -0.213) 5.078 3.532 ( 0.520 17.210 -0.021) 17.218 3.732 ( -0.325 -3.569 -0.111) 3.585 5.426 ( -1.399 -5.626 0.073) 5.798 5.555 ( -0.327 2.377 0.406) 2.433 8.920 ( -0.136 2.650 -0.094) 2.656 9.324 ( -0.149 3.260 -0.302) 3.277 9.766 ( 0.525 1.540 -0.041) 1.628 10.003 ( -1.572 -3.433 -0.846) 3.870 10.396 ( -0.218 -1.520 0.566) 1.636 10.590 ( 0.673 -0.846 1.673) 1.991 ======================= Grid point 33 (25/242) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.236 -1.752 0.491) 1.835 0.964 ( -0.045 -1.914 0.018) 1.914 1.194 ( -0.672 -3.771 -1.662) 4.175 1.288 ( -1.743 -1.522 -0.460) 2.359 1.426 ( -1.195 -1.793 2.413) 3.235 1.462 ( 0.991 -0.886 -2.278) 2.637 1.612 ( -0.066 1.905 -0.675) 2.022 1.679 ( 0.534 0.949 1.013) 1.487 1.706 ( 0.676 -0.087 0.288) 0.740 1.769 ( 1.872 1.452 1.181) 2.647 2.103 ( 0.117 3.243 -0.915) 3.371 2.186 ( -1.865 2.490 0.535) 3.157 2.253 ( -0.293 -2.805 0.604) 2.884 2.312 ( 1.924 0.803 -0.117) 2.089 2.454 ( -1.668 -2.299 -1.087) 3.041 2.529 ( 0.700 2.264 -0.636) 2.454 2.591 ( 0.188 0.598 1.153) 1.312 2.710 ( 0.478 -1.437 0.797) 1.711 2.777 ( -0.462 -0.099 -0.756) 0.892 3.147 ( 0.039 0.602 -0.017) 0.604 3.362 ( -0.018 0.475 -0.050) 0.478 3.772 ( -0.036 -0.370 -0.039) 0.374 5.495 ( 0.557 -1.671 1.189) 2.125 5.532 ( -0.562 -0.229 -1.155) 1.304 8.896 ( -0.008 -0.305 0.007) 0.306 9.295 ( -0.026 -0.346 -0.017) 0.348 9.752 ( 0.189 0.091 0.182) 0.278 10.048 ( -0.339 -2.083 -0.455) 2.159 10.419 ( 0.371 -0.629 0.660) 0.984 10.576 ( -0.191 2.698 -0.379) 2.731 ======================= Grid point 34 (26/242) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.285 -3.288 1.455) 3.607 0.997 ( 0.619 0.285 -0.665) 0.952 1.259 ( 1.394 -2.842 -0.651) 3.232 1.291 ( -0.605 0.668 -0.311) 0.953 1.462 ( 0.926 -1.351 0.080) 1.639 1.495 ( 0.484 -0.281 0.247) 0.611 1.586 ( -0.194 0.009 -0.514) 0.550 1.610 ( -0.833 4.452 -0.654) 4.576 1.688 ( 0.648 2.164 1.949) 2.983 1.740 ( -1.101 3.043 -1.773) 3.690 2.070 ( -0.566 -0.832 -0.290) 1.048 2.111 ( -0.498 4.855 0.348) 4.892 2.288 ( 0.822 1.047 0.417) 1.395 2.346 ( -0.590 -4.982 2.503) 5.607 2.438 ( -0.035 4.069 -2.288) 4.668 2.508 ( 0.068 -0.950 -0.034) 0.953 2.593 ( -0.036 -0.739 0.317) 0.805 2.749 ( 0.938 -1.518 -0.148) 1.791 2.769 ( -0.623 0.423 -0.024) 0.753 3.085 ( -0.133 5.348 0.076) 5.350 3.502 ( -0.225 -14.346 -0.074) 14.348 3.748 ( 0.099 2.196 0.006) 2.198 5.514 ( 0.783 0.767 1.649) 1.979 5.540 ( -0.179 -1.512 -1.777) 2.340 8.928 ( 0.041 -2.799 0.043) 2.800 9.336 ( 0.023 -3.743 0.086) 3.744 9.767 ( 0.077 -1.491 0.252) 1.514 10.081 ( 0.410 -1.433 -0.005) 1.491 10.425 ( 0.614 0.672 1.390) 1.662 10.484 ( -0.833 5.965 -2.114) 6.383 ======================= Grid point 35 (27/242) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.000 6.818 -0.000) 6.818 1.045 ( -0.000 -4.186 0.000) 4.186 1.202 ( 0.000 9.819 -0.000) 9.819 1.288 ( 0.000 0.649 -0.000) 0.649 1.437 ( 0.000 5.707 -0.000) 5.707 1.483 ( 0.000 1.170 -0.000) 1.170 1.538 ( 0.000 0.285 -0.000) 0.285 1.588 ( 0.000 1.579 -0.000) 1.579 1.670 ( 0.000 1.654 -0.000) 1.654 1.682 ( -0.000 -1.264 0.000) 1.264 2.000 ( 0.000 6.097 -0.000) 6.097 2.093 ( -0.000 -0.873 0.000) 0.873 2.267 ( 0.000 1.237 -0.000) 1.237 2.316 ( 0.000 7.556 -0.000) 7.556 2.451 ( -0.000 -4.729 0.000) 4.729 2.515 ( 0.000 1.240 -0.000) 1.240 2.620 ( -0.000 -1.715 0.000) 1.715 2.759 ( 0.000 0.193 -0.000) 0.193 2.763 ( 0.000 0.861 -0.000) 0.861 2.978 ( 0.000 4.089 -0.000) 4.089 3.633 ( 0.000 4.227 -0.000) 4.227 3.945 ( -0.000 -24.904 0.000) 24.904 5.465 ( 0.000 4.490 -0.000) 4.490 5.597 ( -0.000 -4.617 0.000) 4.617 8.994 ( -0.000 -3.754 0.000) 3.754 9.434 ( -0.000 -6.233 0.000) 6.233 9.807 ( -0.000 -2.243 0.000) 2.243 10.107 ( -0.000 -1.100 0.000) 1.100 10.335 ( 0.000 7.985 -0.000) 7.985 10.412 ( 0.000 1.400 -0.000) 1.400 ======================= Grid point 40 (28/242) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 15.399 -0.000 2.119) 15.545 0.563 ( 13.925 -0.000 4.253) 14.560 0.944 ( 18.124 -0.000 8.251) 19.914 1.039 ( 3.358 -0.000 -3.804) 5.074 1.124 ( -2.728 0.000 5.923) 6.521 1.340 ( -4.383 0.000 0.392) 4.401 1.344 ( 0.954 -0.000 0.170) 0.969 1.488 ( -5.307 0.000 -4.944) 7.253 1.563 ( -3.265 0.000 1.606) 3.638 1.624 ( -7.402 0.000 -3.188) 8.059 1.854 ( 2.133 -0.000 -1.984) 2.913 1.877 ( -3.024 0.000 -1.439) 3.349 1.996 ( 0.887 -0.000 0.889) 1.256 2.093 ( -1.813 0.000 2.233) 2.876 2.242 ( 1.628 -0.000 -0.134) 1.633 2.330 ( -0.833 0.000 0.541) 0.993 2.591 ( -3.351 0.000 -7.868) 8.552 2.805 ( 0.868 -0.000 1.230) 1.505 2.911 ( -3.148 0.000 0.752) 3.236 3.345 ( 5.295 -0.000 -3.617) 6.412 3.449 ( -1.229 0.000 3.877) 4.068 3.595 ( 0.114 -0.000 -0.140) 0.181 5.518 ( 0.779 -0.000 -0.404) 0.878 6.258 ( 0.407 -0.000 7.471) 7.482 9.072 ( 0.011 -0.000 -0.063) 0.064 9.137 ( 0.124 -0.000 0.032) 0.128 9.517 ( 1.753 -0.000 -1.482) 2.296 9.913 ( 2.240 -0.000 0.652) 2.333 10.260 ( -2.307 0.000 0.128) 2.310 11.115 ( -1.045 0.000 0.172) 1.059 ======================= Grid point 41 (29/242) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 12.704 1.381 3.702) 13.304 0.713 ( 12.620 -4.964 4.967) 14.442 1.006 ( -1.747 1.765 0.702) 2.581 1.095 ( 3.653 -6.396 -1.320) 7.483 1.237 ( 8.365 -0.650 -1.010) 8.451 1.299 ( -1.933 -1.568 1.545) 2.930 1.332 ( -0.970 -0.934 1.718) 2.182 1.514 ( -0.273 -2.447 0.039) 2.463 1.530 ( -7.677 -5.299 -1.101) 9.393 1.666 ( -4.768 -4.040 -0.416) 6.263 1.781 ( -1.042 1.725 0.444) 2.064 1.936 ( 0.359 -1.684 -0.574) 1.815 2.079 ( 1.380 -7.778 -0.837) 7.944 2.117 ( -1.468 -2.712 1.447) 3.407 2.258 ( 0.979 -0.476 -0.697) 1.293 2.361 ( -2.244 -3.949 0.970) 4.645 2.553 ( -2.881 -0.317 -8.043) 8.549 2.793 ( 0.529 1.916 0.993) 2.222 2.881 ( -1.136 1.943 1.245) 2.572 3.129 ( 2.372 10.531 0.667) 10.816 3.439 ( 0.667 -0.549 0.141) 0.876 4.094 ( -5.941 -31.628 -3.361) 32.357 5.415 ( 1.869 10.632 -0.838) 10.828 6.185 ( 0.913 9.160 5.312) 10.629 9.150 ( 0.651 -0.597 -0.128) 0.892 9.220 ( -3.674 -13.318 -1.447) 13.891 9.574 ( 1.020 -5.359 -0.458) 5.475 9.881 ( 1.938 4.424 0.209) 4.834 10.260 ( -2.352 -1.183 0.331) 2.653 10.969 ( 0.988 12.882 2.239) 13.113 ======================= Grid point 42 (30/242) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 6.507 -3.448 4.091) 8.425 0.871 ( 8.097 -1.651 7.200) 10.960 0.998 ( -1.116 -3.506 -1.741) 4.071 1.170 ( 0.441 3.048 -2.719) 4.108 1.212 ( -2.941 -5.448 -4.763) 7.811 1.303 ( -1.784 -1.176 2.487) 3.279 1.407 ( -3.410 -1.048 -1.173) 3.755 1.601 ( 0.078 -6.524 2.772) 7.089 1.676 ( 1.820 -3.755 -0.089) 4.173 1.706 ( -0.343 -8.638 -0.945) 8.696 1.817 ( -0.164 -3.934 1.594) 4.248 1.964 ( 0.085 -2.251 1.129) 2.520 2.149 ( -0.476 -0.734 -2.036) 2.217 2.251 ( 0.098 -7.004 1.089) 7.089 2.285 ( 0.998 -2.962 -0.901) 3.253 2.449 ( -2.009 -5.283 2.256) 6.086 2.552 ( 0.017 -3.404 -7.686) 8.406 2.750 ( 0.075 2.597 0.479) 2.642 2.835 ( -0.880 2.532 1.484) 3.064 2.990 ( 0.515 5.753 0.717) 5.820 3.467 ( 0.246 -2.279 0.032) 2.293 4.586 ( -4.350 -22.116 -1.911) 22.621 5.136 ( 0.870 18.288 -2.078) 18.426 5.980 ( 0.570 12.372 3.139) 12.777 9.141 ( 0.884 2.123 -0.342) 2.325 9.453 ( -4.303 -11.900 -2.161) 12.838 9.714 ( 0.438 -7.662 0.480) 7.690 9.782 ( 1.096 5.672 -0.484) 5.798 10.281 ( -2.223 -2.131 0.546) 3.127 10.722 ( 1.529 12.664 3.925) 13.346 ======================= Grid point 43 (31/242) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.320 -5.776 2.244) 6.205 0.895 ( 1.140 0.722 4.648) 4.840 1.049 ( 2.285 1.307 -0.950) 2.798 1.187 ( 2.721 -4.901 -1.670) 5.850 1.284 ( -3.714 -5.186 -1.464) 6.545 1.330 ( -4.388 -1.115 0.437) 4.549 1.398 ( -3.502 -3.381 -0.291) 4.876 1.700 ( -0.137 -2.866 -0.468) 2.907 1.745 ( 0.655 -3.738 -1.622) 4.127 1.805 ( -0.622 -0.279 1.855) 1.976 1.966 ( 5.870 -7.991 -0.394) 9.923 2.061 ( -1.251 -7.374 2.239) 7.808 2.148 ( -0.470 -1.097 -2.343) 2.630 2.297 ( 0.519 0.664 2.546) 2.682 2.380 ( 0.522 -4.430 -1.726) 4.783 2.509 ( -1.936 -1.700 -0.669) 2.662 2.648 ( 1.468 -2.464 -1.137) 3.085 2.729 ( 2.447 -2.173 -1.816) 3.743 2.794 ( -2.059 0.610 2.376) 3.202 2.904 ( -0.404 2.787 0.259) 2.828 3.534 ( -0.150 -4.583 -0.038) 4.586 4.590 ( 3.862 27.220 0.698) 27.501 5.016 ( -6.124 -14.579 -2.567) 16.020 5.772 ( 0.191 9.431 1.622) 9.571 9.079 ( 0.415 4.320 -0.305) 4.351 9.527 ( -1.030 3.552 -0.618) 3.749 9.760 ( 0.386 -4.813 -2.628) 5.498 9.830 ( -1.350 -3.532 1.332) 4.009 10.316 ( -1.650 -2.376 0.450) 2.928 10.569 ( 1.107 4.221 3.755) 5.757 ======================= Grid point 44 (32/242) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.846 -2.475 -0.743) 2.720 0.920 ( -1.445 -1.978 2.694) 3.641 1.039 ( 2.045 -0.469 0.581) 2.177 1.247 ( -1.772 -0.773 -1.190) 2.270 1.341 ( -0.805 -2.485 0.596) 2.679 1.368 ( -3.366 -6.019 -1.864) 7.144 1.510 ( 0.165 -7.140 2.341) 7.515 1.720 ( 3.193 1.448 -1.470) 3.801 1.762 ( -0.032 1.736 -1.176) 2.097 1.797 ( -3.521 -0.353 0.554) 3.582 2.118 ( 3.271 -5.408 -0.488) 6.339 2.148 ( 1.325 -1.665 0.461) 2.177 2.246 ( 0.264 -6.348 0.013) 6.353 2.272 ( -1.021 0.794 1.558) 2.025 2.432 ( 3.003 0.867 -0.923) 3.259 2.507 ( -3.045 -1.142 -0.683) 3.323 2.631 ( -0.122 1.878 0.232) 1.896 2.755 ( 0.115 -0.195 -0.159) 0.277 2.777 ( 0.367 3.147 0.759) 3.258 2.969 ( 0.218 -8.162 -0.260) 8.169 3.634 ( -0.173 -5.461 -0.063) 5.464 4.015 ( 1.084 30.157 -0.006) 30.176 5.252 ( -2.478 -11.317 -0.461) 11.594 5.632 ( -0.020 5.585 0.715) 5.630 8.991 ( 0.009 4.558 -0.150) 4.560 9.414 ( -0.203 5.923 -0.298) 5.934 9.807 ( 1.395 1.645 -0.598) 2.238 9.900 ( -2.376 -5.819 -0.258) 6.291 10.357 ( -0.678 -2.334 0.351) 2.455 10.569 ( 0.707 -1.575 2.153) 2.760 ======================= Grid point 45 (33/242) ======================= q-point: ( 0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.109 -0.724 0.010) 0.732 0.940 ( -0.575 -0.816 -0.167) 1.012 1.098 ( -0.906 -4.425 0.340) 4.530 1.251 ( -0.940 -1.257 -0.621) 1.688 1.386 ( -0.560 -2.289 0.508) 2.410 1.451 ( -0.261 -2.459 -0.578) 2.540 1.626 ( 0.078 -2.621 0.966) 2.795 1.675 ( 0.771 2.051 -0.033) 2.192 1.720 ( 1.033 1.596 -0.056) 1.902 1.792 ( -1.214 -0.341 -0.314) 1.300 2.173 ( 3.490 1.021 -0.325) 3.651 2.206 ( -1.431 -1.466 2.131) 2.956 2.211 ( -1.073 1.400 -1.410) 2.258 2.359 ( 2.637 1.049 0.077) 2.839 2.386 ( -1.837 -1.689 -0.707) 2.594 2.543 ( -0.277 -1.827 -0.220) 1.861 2.600 ( -0.135 0.848 0.095) 0.864 2.719 ( -0.088 2.268 1.245) 2.589 2.766 ( -0.032 -0.634 -0.788) 1.012 3.105 ( 0.209 -4.943 -0.079) 4.948 3.536 ( 0.181 17.614 -0.020) 17.615 3.729 ( -0.120 -3.747 -0.046) 3.749 5.416 ( -0.522 -6.597 0.075) 6.618 5.554 ( -0.115 2.709 0.108) 2.714 8.918 ( -0.051 2.625 -0.033) 2.626 9.322 ( -0.059 3.175 -0.114) 3.178 9.771 ( 0.244 1.708 0.021) 1.726 9.987 ( -0.604 -3.907 -0.337) 3.968 10.397 ( -0.084 -1.826 0.235) 1.843 10.600 ( 0.235 -0.287 0.578) 0.686 ======================= Grid point 46 (34/242) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -0.000 -1.955 0.000) 1.955 0.964 ( -0.000 -2.253 0.000) 2.253 1.186 ( -0.000 -4.667 0.000) 4.667 1.276 ( -0.000 -1.247 0.000) 1.247 1.426 ( -0.000 -2.029 0.000) 2.029 1.460 ( -0.000 -0.964 0.000) 0.964 1.610 ( 0.000 2.107 -0.000) 2.107 1.684 ( 0.000 0.843 -0.000) 0.843 1.711 ( -0.000 -0.013 0.000) 0.013 1.784 ( 0.000 1.384 -0.000) 1.384 2.101 ( 0.000 4.599 -0.000) 4.599 2.176 ( 0.000 1.907 -0.000) 1.907 2.253 ( -0.000 -3.174 0.000) 3.174 2.324 ( 0.000 1.403 -0.000) 1.403 2.440 ( -0.000 -2.295 0.000) 2.295 2.531 ( 0.000 2.067 -0.000) 2.067 2.596 ( 0.000 0.557 -0.000) 0.557 2.716 ( -0.000 -1.619 0.000) 1.619 2.772 ( -0.000 -0.038 0.000) 0.038 3.147 ( 0.000 0.699 -0.000) 0.699 3.362 ( 0.000 0.545 -0.000) 0.545 3.772 ( -0.000 -0.428 0.000) 0.428 5.503 ( -0.000 -2.639 0.000) 2.639 5.524 ( 0.000 0.446 -0.000) 0.446 8.896 ( -0.000 -0.353 0.000) 0.353 9.295 ( -0.000 -0.400 0.000) 0.400 9.754 ( 0.000 0.104 -0.000) 0.104 10.045 ( -0.000 -2.368 0.000) 2.368 10.423 ( -0.000 -0.870 0.000) 0.870 10.574 ( 0.000 3.223 -0.000) 3.223 ======================= Grid point 53 (35/242) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 14.303 -0.000 1.581) 14.390 0.722 ( 11.703 -0.000 3.582) 12.239 1.011 ( -3.152 0.000 -0.255) 3.162 1.060 ( 4.161 -0.000 -3.779) 5.621 1.251 ( 10.088 -0.000 7.135) 12.357 1.290 ( -5.419 0.000 0.906) 5.494 1.363 ( 2.008 -0.000 -1.621) 2.580 1.405 ( -2.756 0.000 1.875) 3.333 1.529 ( -3.921 0.000 0.582) 3.964 1.543 ( -5.222 0.000 -1.601) 5.462 1.841 ( -2.542 0.000 -0.762) 2.653 1.875 ( 3.563 -0.000 -2.095) 4.133 2.013 ( 1.240 -0.000 0.703) 1.425 2.079 ( -3.668 0.000 3.494) 5.066 2.255 ( 1.060 -0.000 -0.193) 1.077 2.296 ( -5.203 0.000 -2.445) 5.749 2.512 ( -3.164 0.000 -6.973) 7.658 2.819 ( 0.707 -0.000 1.054) 1.269 2.899 ( -0.605 0.000 1.187) 1.333 3.379 ( 4.801 -0.000 -4.365) 6.489 3.453 ( -1.930 0.000 4.351) 4.760 3.595 ( 0.099 -0.000 -0.121) 0.157 5.524 ( 0.560 -0.000 -0.086) 0.566 6.300 ( 1.254 -0.000 5.206) 5.355 9.071 ( 0.010 -0.000 -0.054) 0.055 9.139 ( 0.107 -0.000 0.028) 0.111 9.528 ( 1.238 -0.000 -0.449) 1.317 9.938 ( 1.876 -0.000 0.332) 1.905 10.236 ( -2.172 0.000 0.166) 2.179 11.105 ( -0.884 0.000 0.039) 0.884 ======================= Grid point 54 (36/242) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 11.061 2.955 2.745) 11.774 0.856 ( 9.483 -4.951 1.978) 10.878 0.993 ( -0.983 1.602 2.593) 3.202 1.093 ( 0.979 -3.291 -4.493) 5.655 1.211 ( -5.194 2.256 -1.672) 5.905 1.322 ( -2.212 0.747 2.274) 3.259 1.368 ( 1.622 -0.090 -2.375) 2.877 1.467 ( -1.613 -6.934 1.258) 7.230 1.546 ( 3.999 -5.816 4.677) 8.468 1.614 ( -2.605 -4.221 -0.301) 4.970 1.774 ( -0.766 0.762 0.181) 1.095 1.948 ( 2.252 -1.336 -0.787) 2.734 2.085 ( -0.391 -7.465 -0.438) 7.488 2.110 ( -0.688 -3.419 2.007) 4.024 2.243 ( -3.184 -0.712 -2.138) 3.901 2.338 ( -2.168 -5.827 0.299) 6.225 2.485 ( -2.024 -0.465 -6.100) 6.444 2.802 ( 0.409 2.248 0.728) 2.398 2.881 ( -0.145 1.866 0.991) 2.118 3.155 ( 1.786 11.370 0.428) 11.517 3.446 ( 0.459 -0.435 0.150) 0.650 4.037 ( -2.776 -28.990 -1.598) 29.167 5.427 ( 1.027 10.253 -0.427) 10.313 6.218 ( 1.036 9.695 3.467) 10.348 9.156 ( 0.466 -0.890 -0.087) 1.009 9.188 ( -1.619 -10.967 -0.643) 11.104 9.582 ( 0.698 -5.206 0.081) 5.253 9.900 ( 1.360 4.722 -0.005) 4.914 10.238 ( -1.853 -1.223 0.275) 2.237 10.982 ( 0.094 11.195 1.120) 11.251 ======================= Grid point 55 (37/242) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 5.333 -0.067 2.368) 5.836 0.951 ( -0.150 2.753 2.920) 4.016 1.015 ( 5.959 -5.998 1.457) 8.579 1.151 ( -1.766 -2.822 -4.513) 5.608 1.174 ( 0.232 -1.035 -0.225) 1.085 1.296 ( -1.535 -0.554 1.513) 2.225 1.347 ( -5.268 0.797 -1.590) 5.560 1.600 ( -2.134 -6.243 1.223) 6.711 1.651 ( -1.338 -5.071 -1.714) 5.518 1.761 ( 5.045 -7.210 1.955) 9.015 1.826 ( 0.713 -6.056 0.517) 6.120 1.971 ( 0.261 -1.716 0.567) 1.826 2.130 ( -0.999 -0.235 -1.600) 1.901 2.255 ( 0.051 -7.290 0.368) 7.300 2.287 ( -0.072 -4.066 0.025) 4.067 2.446 ( -1.237 -3.397 3.050) 4.730 2.513 ( -0.212 -7.496 -6.464) 9.900 2.752 ( 0.025 2.781 0.272) 2.794 2.834 ( -0.335 2.910 0.848) 3.049 3.000 ( 0.528 6.349 0.601) 6.399 3.470 ( 0.152 -2.047 0.004) 2.053 4.544 ( -2.150 -24.430 -0.974) 24.544 5.136 ( 0.486 20.406 -0.927) 20.433 5.998 ( 0.419 12.882 1.706) 13.001 9.147 ( 0.490 2.198 -0.192) 2.260 9.412 ( -1.926 -11.849 -0.945) 12.041 9.720 ( 0.320 -7.610 0.382) 7.627 9.790 ( 0.653 6.290 -0.281) 6.330 10.263 ( -1.381 -2.167 0.299) 2.587 10.747 ( 0.518 12.083 1.912) 12.244 ======================= Grid point 56 (38/242) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.389 -2.981 0.651) 3.076 0.918 ( 0.093 1.012 1.855) 2.115 1.087 ( 3.523 2.198 1.080) 4.290 1.202 ( 0.251 -5.969 -1.438) 6.145 1.230 ( -2.584 -2.245 -2.345) 4.149 1.303 ( -1.356 -1.091 1.598) 2.363 1.368 ( -1.859 -6.724 0.064) 6.976 1.688 ( -0.694 -4.240 -0.693) 4.352 1.745 ( 0.357 -3.371 -0.597) 3.442 1.808 ( -0.069 1.079 0.617) 1.245 2.020 ( 4.319 -7.349 -0.855) 8.567 2.051 ( -2.459 -8.158 1.679) 8.685 2.136 ( -0.124 -1.751 -0.853) 1.952 2.311 ( 0.224 1.182 1.175) 1.682 2.378 ( 0.213 -5.293 -0.660) 5.338 2.490 ( -0.860 -1.486 -0.406) 1.764 2.655 ( 0.510 -1.644 -0.345) 1.756 2.746 ( 1.952 -4.984 -1.475) 5.552 2.781 ( -1.804 1.552 1.553) 2.842 2.903 ( -0.058 3.513 0.198) 3.519 3.533 ( -0.059 -4.468 -0.027) 4.469 4.625 ( 1.837 29.986 0.344) 30.044 4.957 ( -2.640 -17.654 -0.966) 17.877 5.779 ( 0.082 9.657 0.570) 9.674 9.081 ( 0.145 4.473 -0.110) 4.477 9.517 ( -0.392 2.577 -0.232) 2.617 9.755 ( 0.185 -5.030 -0.883) 5.111 9.826 ( -0.377 -2.274 0.522) 2.363 10.305 ( -0.639 -2.597 0.160) 2.679 10.589 ( 0.329 4.140 1.274) 4.344 ======================= Grid point 57 (39/242) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -0.000 -2.934 0.000) 2.934 0.920 ( -0.000 -0.749 0.000) 0.749 1.057 ( 0.000 0.587 -0.000) 0.587 1.228 ( -0.000 -0.618 0.000) 0.618 1.339 ( -0.000 -2.307 0.000) 2.307 1.344 ( -0.000 -7.219 0.000) 7.219 1.517 ( -0.000 -7.729 0.000) 7.729 1.750 ( 0.000 2.997 -0.000) 2.997 1.754 ( -0.000 -2.615 0.000) 2.615 1.767 ( 0.000 2.379 -0.000) 2.379 2.135 ( -0.000 -4.986 0.000) 4.986 2.157 ( -0.000 -2.321 0.000) 2.321 2.250 ( -0.000 -8.206 0.000) 8.206 2.268 ( 0.000 3.062 -0.000) 3.062 2.462 ( 0.000 3.871 -0.000) 3.871 2.472 ( -0.000 -4.384 0.000) 4.384 2.631 ( 0.000 1.932 -0.000) 1.932 2.755 ( -0.000 -0.024 0.000) 0.024 2.782 ( 0.000 3.336 -0.000) 3.336 2.970 ( -0.000 -8.439 0.000) 8.439 3.632 ( -0.000 -5.487 0.000) 5.487 4.021 ( 0.000 30.550 -0.000) 30.550 5.237 ( -0.000 -11.862 0.000) 11.862 5.634 ( 0.000 5.683 -0.000) 5.683 8.990 ( 0.000 4.609 -0.000) 4.609 9.412 ( 0.000 5.880 -0.000) 5.880 9.814 ( 0.000 2.262 -0.000) 2.262 9.885 ( -0.000 -6.471 0.000) 6.471 10.354 ( -0.000 -2.502 0.000) 2.502 10.579 ( -0.000 -1.456 0.000) 1.456 ======================= Grid point 67 (40/242) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 7.518 -0.000 -0.696) 7.550 0.842 ( 7.301 -0.000 2.248) 7.640 0.997 ( 2.878 -0.000 1.922) 3.460 1.091 ( 4.637 -0.000 -2.829) 5.432 1.234 ( -5.705 0.000 1.109) 5.812 1.240 ( -10.122 0.000 -2.181) 10.354 1.326 ( -0.054 0.000 -0.915) 0.917 1.490 ( -3.039 0.000 -0.076) 3.040 1.495 ( -2.412 0.000 -1.231) 2.707 1.571 ( 15.014 -0.000 9.238) 17.629 1.818 ( -1.263 0.000 -0.237) 1.285 1.902 ( 2.929 -0.000 -2.498) 3.849 2.027 ( 0.769 -0.000 0.399) 0.866 2.044 ( -6.399 0.000 3.939) 7.514 2.202 ( -6.424 0.000 -5.915) 8.733 2.263 ( 0.508 -0.000 -0.139) 0.527 2.468 ( -0.719 0.000 -2.754) 2.846 2.830 ( 0.477 -0.000 0.645) 0.802 2.902 ( 0.019 -0.000 0.662) 0.662 3.404 ( 3.615 -0.000 -3.871) 5.296 3.451 ( -2.125 0.000 3.797) 4.351 3.596 ( 0.057 -0.000 -0.070) 0.090 5.529 ( 0.303 -0.000 -0.002) 0.303 6.333 ( 0.976 -0.000 2.763) 2.930 9.071 ( 0.006 -0.000 -0.031) 0.032 9.140 ( 0.062 -0.000 0.016) 0.064 9.537 ( 0.670 -0.000 -0.042) 0.671 9.955 ( 1.038 -0.000 0.041) 1.039 10.218 ( -1.319 0.000 0.157) 1.329 11.097 ( -0.511 0.000 -0.003) 0.511 ======================= Grid point 68 (41/242) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 5.279 3.851 1.245) 6.652 0.905 ( 0.598 -3.906 -0.705) 4.014 1.044 ( 5.537 0.630 4.292) 7.034 1.084 ( 1.446 -0.304 -3.479) 3.780 1.142 ( -6.463 -0.382 -0.725) 6.515 1.309 ( -1.346 -2.333 0.985) 2.868 1.327 ( -2.625 -0.187 -1.887) 3.238 1.484 ( 2.378 -3.471 0.054) 4.208 1.535 ( -4.037 -4.477 0.050) 6.029 1.689 ( 7.820 -2.765 4.428) 9.402 1.758 ( -2.528 -0.213 -1.118) 2.773 1.970 ( 2.017 0.271 -0.538) 2.105 2.068 ( -1.767 -8.102 0.300) 8.298 2.126 ( 1.644 -5.043 2.071) 5.694 2.176 ( -5.002 -3.329 -3.472) 6.939 2.325 ( -0.397 -6.206 -0.004) 6.219 2.455 ( -0.348 0.491 -1.820) 1.917 2.808 ( 0.180 2.460 0.277) 2.482 2.884 ( 0.031 1.895 0.342) 1.926 3.170 ( 0.633 11.582 0.136) 11.600 3.450 ( 0.163 -0.384 0.063) 0.422 4.013 ( -0.824 -27.726 -0.478) 27.742 5.433 ( 0.334 10.088 -0.129) 10.094 6.239 ( 0.443 10.036 1.217) 10.119 9.159 ( 0.170 -1.034 -0.030) 1.049 9.175 ( -0.468 -9.987 -0.183) 10.000 9.588 ( 0.258 -5.144 0.094) 5.151 9.910 ( 0.481 4.871 -0.050) 4.895 10.225 ( -0.705 -1.224 0.116) 1.417 10.985 ( -0.039 10.464 0.345) 10.470 ======================= Grid point 69 (42/242) ======================= q-point: ( 0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 1.444 -0.000) 1.444 0.950 ( 0.000 1.086 -0.000) 1.086 1.065 ( -0.000 -4.817 0.000) 4.817 1.125 ( -0.000 -0.916 0.000) 0.916 1.181 ( -0.000 -4.246 0.000) 4.246 1.290 ( 0.000 0.354 -0.000) 0.354 1.307 ( 0.000 1.838 -0.000) 1.838 1.586 ( -0.000 -5.618 0.000) 5.618 1.642 ( -0.000 -6.645 0.000) 6.645 1.797 ( -0.000 -2.672 0.000) 2.672 1.831 ( -0.000 -9.671 0.000) 9.671 1.974 ( -0.000 -1.256 0.000) 1.256 2.120 ( -0.000 -0.175 0.000) 0.175 2.256 ( -0.000 -7.215 0.000) 7.215 2.286 ( -0.000 -5.123 0.000) 5.123 2.448 ( -0.000 -0.983 0.000) 0.983 2.493 ( -0.000 -10.632 0.000) 10.632 2.753 ( 0.000 2.883 -0.000) 2.883 2.835 ( 0.000 3.080 -0.000) 3.080 3.004 ( 0.000 6.523 -0.000) 6.523 3.471 ( -0.000 -1.960 0.000) 1.960 4.530 ( -0.000 -25.051 0.000) 25.051 5.136 ( 0.000 21.035 -0.000) 21.035 6.004 ( 0.000 13.081 -0.000) 13.081 9.150 ( 0.000 2.226 -0.000) 2.226 9.400 ( -0.000 -11.773 0.000) 11.773 9.723 ( -0.000 -7.586 0.000) 7.586 9.793 ( 0.000 6.460 -0.000) 6.460 10.256 ( -0.000 -2.173 0.000) 2.173 10.754 ( 0.000 11.862 -0.000) 11.862 ======================= Grid point 82 (43/242) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 0.000 -0.000 0.000) 0.000 0.889 ( 0.000 -0.000 0.000) 0.000 1.086 ( 0.000 -0.000 0.000) 0.000 1.118 ( 0.000 -0.000 0.000) 0.000 1.120 ( -0.000 0.000 -0.000) 0.000 1.196 ( 0.000 -0.000 0.000) 0.000 1.325 ( 0.000 -0.000 0.000) 0.000 1.472 ( 0.000 -0.000 0.000) 0.000 1.478 ( 0.000 -0.000 0.000) 0.000 1.704 ( 0.000 -0.000 0.000) 0.000 1.810 ( 0.000 -0.000 0.000) 0.000 1.904 ( 0.000 -0.000 0.000) 0.000 2.004 ( 0.000 -0.000 0.000) 0.000 2.032 ( 0.000 -0.000 0.000) 0.000 2.147 ( 0.000 -0.000 0.000) 0.000 2.265 ( 0.000 -0.000 0.000) 0.000 2.459 ( 0.000 -0.000 0.000) 0.000 2.835 ( 0.000 -0.000 0.000) 0.000 2.904 ( 0.000 -0.000 0.000) 0.000 3.415 ( 0.000 -0.000 -0.000) 0.000 3.448 ( -0.000 0.000 0.000) 0.000 3.596 ( 0.000 -0.000 0.000) 0.000 5.530 ( 0.000 -0.000 0.000) 0.000 6.345 ( 0.000 -0.000 0.000) 0.000 9.071 ( 0.000 -0.000 0.000) 0.000 9.140 ( 0.000 -0.000 0.000) 0.000 9.541 ( 0.000 -0.000 0.000) 0.000 9.961 ( 0.000 -0.000 0.000) 0.000 10.211 ( 0.000 -0.000 0.000) 0.000 11.094 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 151 (44/242) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 0.216 -0.000 13.140) 13.142 0.275 ( -3.259 0.000 14.583) 14.943 0.468 ( 3.606 -0.000 24.326) 24.592 0.981 ( -1.087 0.000 -3.721) 3.876 1.152 ( 7.979 -0.000 -7.264) 10.790 1.373 ( -1.386 0.000 3.260) 3.542 1.413 ( -0.408 0.000 -0.084) 0.417 1.600 ( 2.164 -0.000 0.301) 2.185 1.605 ( -1.827 0.000 -1.488) 2.356 1.862 ( -2.302 0.000 -0.252) 2.316 1.922 ( -1.365 0.000 1.007) 1.697 1.950 ( -18.673 0.000 0.133) 18.673 2.025 ( 0.130 -0.000 -0.738) 0.749 2.088 ( 1.013 -0.000 -2.057) 2.293 2.189 ( 0.228 -0.000 -0.026) 0.230 2.228 ( 4.542 -0.000 -3.701) 5.859 2.545 ( 2.639 -0.000 -3.430) 4.327 2.809 ( -2.119 0.000 3.184) 3.825 2.931 ( 9.755 -0.000 0.996) 9.806 3.161 ( 1.858 -0.000 -4.010) 4.419 3.452 ( -0.391 0.000 3.626) 3.647 3.593 ( -0.082 0.000 -0.050) 0.096 5.185 ( 8.265 -0.000 -0.518) 8.281 7.159 ( -24.232 0.000 -0.350) 24.234 9.067 ( 0.186 -0.000 -0.493) 0.527 9.139 ( -0.181 0.000 0.432) 0.469 9.741 ( -19.519 0.000 -4.920) 20.129 9.936 ( -17.254 0.000 4.009) 17.713 10.311 ( 0.281 -0.000 0.783) 0.832 10.716 ( 33.831 -0.000 2.137) 33.898 ======================= Grid point 152 (45/242) ======================= q-point: ( 0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( 5.518 -8.849 8.744) 13.610 0.435 ( -3.594 -11.787 9.759) 15.719 0.716 ( 9.123 -12.736 15.496) 22.035 1.032 ( -1.074 -5.827 -4.121) 7.217 1.162 ( 4.954 -0.098 -5.027) 7.059 1.286 ( -1.753 1.175 1.798) 2.773 1.418 ( -2.828 0.792 -1.312) 3.217 1.578 ( -2.214 -0.278 -1.527) 2.704 1.707 ( 1.827 -5.561 2.137) 6.231 1.809 ( -8.480 1.179 2.044) 8.802 1.857 ( -1.156 1.850 2.009) 2.966 1.970 ( -1.412 -1.780 -1.073) 2.513 2.051 ( 1.302 -2.485 -0.584) 2.865 2.105 ( 0.765 -3.223 -2.126) 3.936 2.173 ( 1.896 -1.708 1.053) 2.760 2.379 ( 0.440 -6.976 -5.368) 8.813 2.531 ( 1.477 1.282 -3.858) 4.325 2.779 ( 0.443 2.437 2.264) 3.356 2.881 ( 2.481 2.913 2.464) 4.551 3.103 ( -0.533 3.367 -4.071) 5.310 3.442 ( -0.998 -0.465 2.037) 2.315 4.281 ( -2.445 -39.228 -24.577) 46.355 5.141 ( 10.032 9.312 -2.469) 13.908 6.559 ( -16.298 29.092 19.146) 38.452 9.142 ( -0.277 0.100 0.695) 0.755 9.391 ( -0.357 -18.669 -9.471) 20.937 9.708 ( -16.054 -7.030 -2.848) 17.756 9.856 ( -4.409 4.149 4.177) 7.356 10.317 ( 0.063 -0.590 0.615) 0.855 10.718 ( 17.969 11.043 4.620) 21.591 ======================= Grid point 153 (46/242) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 4.927 -10.126 5.583) 12.569 0.682 ( -4.525 -13.306 5.704) 15.167 1.012 ( 7.113 -7.993 4.189) 11.491 1.099 ( -1.966 -1.705 -5.774) 6.333 1.221 ( -1.139 -6.757 0.574) 6.876 1.321 ( 4.742 -3.645 -1.630) 6.199 1.420 ( -2.958 -3.087 0.645) 4.324 1.570 ( -1.608 -0.958 0.021) 1.872 1.760 ( -5.033 0.943 1.842) 5.442 1.813 ( -1.774 0.023 1.173) 2.127 1.833 ( 1.807 -2.917 3.107) 4.630 1.996 ( -1.823 -3.341 -0.816) 3.892 2.085 ( 4.199 -0.432 -2.396) 4.853 2.207 ( 2.241 -3.811 0.386) 4.438 2.251 ( -1.569 -6.150 -2.501) 6.822 2.466 ( 3.098 -1.765 -4.381) 5.649 2.532 ( -2.203 -4.146 -2.624) 5.379 2.737 ( 0.891 2.702 0.696) 2.929 2.860 ( 0.138 1.179 2.947) 3.177 3.021 ( -1.797 3.125 -1.355) 3.851 3.467 ( -0.216 -2.186 0.561) 2.267 4.744 ( -6.246 -11.679 -8.916) 15.966 4.965 ( 9.037 6.535 -8.752) 14.177 6.095 ( -5.175 18.584 10.572) 21.998 9.124 ( -0.236 1.978 0.872) 2.174 9.632 ( -2.404 -8.411 -4.534) 9.853 9.751 ( -0.257 4.797 1.918) 5.173 9.791 ( -8.656 -8.527 -1.915) 12.300 10.338 ( 0.102 -1.261 0.185) 1.279 10.597 ( 7.718 9.088 6.891) 13.771 ======================= Grid point 154 (47/242) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 3.436 -6.156 3.499) 7.871 0.908 ( -6.663 -11.904 2.662) 13.899 1.056 ( -0.459 1.089 -3.446) 3.643 1.143 ( -1.319 -4.624 -0.780) 4.871 1.374 ( -0.421 -7.494 -0.813) 7.550 1.428 ( 1.331 -3.454 0.338) 3.717 1.452 ( -2.613 -2.206 -0.960) 3.552 1.651 ( 5.089 -5.158 2.424) 7.641 1.718 ( -3.391 0.719 1.874) 3.940 1.794 ( 1.864 1.833 2.943) 3.937 1.903 ( -0.633 -3.438 0.647) 3.555 2.057 ( 1.104 -1.568 -2.621) 3.248 2.142 ( 1.468 -5.426 -1.188) 5.746 2.240 ( 1.066 0.508 -3.847) 4.024 2.326 ( 1.364 -2.107 -4.480) 5.136 2.515 ( 0.742 -3.078 0.574) 3.217 2.627 ( -0.137 -5.567 -3.738) 6.707 2.693 ( 0.015 1.727 1.214) 2.111 2.845 ( -0.814 0.873 3.325) 3.532 2.977 ( -2.962 -0.046 3.622) 4.679 3.530 ( 0.386 -4.270 -1.016) 4.407 4.471 ( 2.562 25.173 -0.069) 25.303 5.146 ( -1.650 -13.851 -9.088) 16.648 5.812 ( -1.520 11.213 4.477) 12.169 9.067 ( -0.071 3.856 0.262) 3.865 9.585 ( -1.734 6.743 2.194) 7.300 9.767 ( -1.720 -3.076 -1.488) 3.825 9.924 ( -3.661 -7.734 -1.258) 8.649 10.357 ( 0.396 -0.432 -0.141) 0.603 10.521 ( 2.886 2.847 5.946) 7.196 ======================= Grid point 155 (48/242) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.571 -0.769 -0.066) 0.960 1.012 ( -2.394 -0.052 0.609) 2.470 1.099 ( -5.809 -8.222 0.182) 10.068 1.240 ( 0.586 -5.371 -0.737) 5.453 1.438 ( -2.299 0.644 -0.106) 2.390 1.476 ( -0.171 -2.014 1.469) 2.499 1.507 ( -2.375 -6.229 -1.912) 6.935 1.682 ( -1.053 2.929 0.927) 3.247 1.744 ( 2.937 -0.446 0.220) 2.979 1.795 ( 3.250 0.602 2.522) 4.158 1.998 ( 1.017 -6.284 -0.421) 6.380 2.065 ( 2.930 0.237 -2.827) 4.079 2.195 ( 5.251 2.360 -7.456) 9.420 2.268 ( -0.782 -4.508 -0.739) 4.635 2.352 ( -0.085 -2.292 -1.036) 2.516 2.557 ( -0.843 -0.747 1.182) 1.633 2.639 ( 1.199 1.600 -1.545) 2.526 2.725 ( 0.083 -2.003 -1.431) 2.463 2.835 ( -1.625 0.773 4.436) 4.787 3.029 ( -3.410 -5.754 6.659) 9.438 3.621 ( 0.815 -4.749 -1.917) 5.186 3.958 ( 1.598 26.853 -0.366) 26.903 5.336 ( -1.812 -8.575 -4.429) 9.820 5.654 ( -0.707 5.850 1.856) 6.178 8.984 ( 0.078 4.392 -0.669) 4.443 9.455 ( -1.670 6.055 2.738) 6.851 9.789 ( -0.758 -0.154 1.274) 1.491 10.017 ( -3.797 -4.346 -0.241) 5.776 10.367 ( 0.687 -0.699 -0.652) 1.178 10.538 ( 1.742 -1.211 2.875) 3.573 ======================= Grid point 156 (49/242) ======================= q-point: ( 0.42 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -0.679 -0.212 -0.169) 0.731 0.987 ( -2.521 1.008 0.549) 2.770 1.191 ( -3.010 -3.434 -1.801) 4.909 1.322 ( -1.941 -2.599 1.546) 3.594 1.399 ( 0.088 1.235 -2.766) 3.030 1.502 ( -2.543 -0.599 2.063) 3.329 1.609 ( 0.780 -2.368 -1.840) 3.099 1.630 ( -0.165 -0.430 1.230) 1.314 1.715 ( -0.022 2.787 -1.133) 3.009 1.779 ( 2.936 3.174 1.833) 4.696 2.070 ( 5.338 1.668 -4.077) 6.921 2.103 ( 0.284 -4.147 -6.351) 7.590 2.189 ( 5.067 -1.298 -0.207) 5.234 2.297 ( -1.273 -0.454 0.116) 1.356 2.430 ( -1.128 -4.859 0.018) 4.989 2.547 ( 0.218 1.553 0.982) 1.851 2.613 ( 0.256 1.269 -0.627) 1.438 2.726 ( -0.016 1.069 -1.521) 1.859 2.827 ( -2.269 0.006 4.835) 5.341 3.148 ( -2.669 -5.279 6.376) 8.697 3.515 ( 0.764 15.885 -0.201) 15.905 3.717 ( 0.751 -2.939 -2.646) 4.026 5.438 ( -0.537 -3.715 -2.151) 4.326 5.572 ( -0.681 2.772 0.381) 2.880 8.909 ( 0.321 2.891 -1.282) 3.179 9.361 ( -1.636 3.262 3.034) 4.746 9.783 ( -0.983 0.510 3.028) 3.224 10.061 ( -3.185 -2.301 1.384) 4.165 10.384 ( 1.002 -0.645 -1.431) 1.862 10.570 ( 1.568 -0.311 -0.459) 1.663 ======================= Grid point 157 (50/242) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.216 -1.648 0.147) 1.669 0.973 ( -0.409 -0.797 1.424) 1.682 1.184 ( -1.053 1.543 -3.779) 4.215 1.325 ( -1.256 0.840 -0.256) 1.533 1.396 ( 2.908 -0.087 -1.726) 3.382 1.498 ( -2.197 -0.344 2.712) 3.507 1.594 ( -0.021 0.274 -2.096) 2.114 1.666 ( 1.056 1.823 0.443) 2.153 1.683 ( 1.052 -0.141 -1.041) 1.486 1.757 ( 1.022 -0.053 2.749) 2.933 2.037 ( 4.471 1.904 -8.411) 9.714 2.158 ( -1.057 -3.297 -4.545) 5.714 2.245 ( 1.948 -0.829 2.896) 3.587 2.297 ( -1.878 -0.514 0.030) 1.947 2.495 ( -1.522 -1.748 0.595) 2.393 2.510 ( 1.085 2.517 0.747) 2.840 2.595 ( 0.513 0.365 -1.024) 1.202 2.704 ( 0.647 0.449 -0.595) 0.987 2.828 ( -2.236 -0.081 4.037) 4.616 3.206 ( -2.923 -0.271 6.221) 6.879 3.359 ( 0.109 0.079 -0.377) 0.400 3.748 ( 1.154 -0.061 -2.608) 2.852 5.473 ( 1.387 -0.302 -1.439) 2.021 5.534 ( -0.429 0.921 -0.495) 1.131 8.880 ( 0.662 -0.128 -1.406) 1.559 9.332 ( -1.570 -0.372 3.328) 3.699 9.781 ( -1.390 -0.223 3.594) 3.860 10.083 ( -1.915 -0.949 2.685) 3.432 10.392 ( 1.668 0.133 -1.693) 2.381 10.551 ( 1.004 2.646 -3.186) 4.261 ======================= Grid point 158 (51/242) ======================= q-point: (-0.42 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.197 -1.991 -1.017) 2.244 0.995 ( 1.361 0.503 3.938) 4.197 1.161 ( 5.043 -0.240 -4.027) 6.458 1.276 ( 1.376 4.373 -0.125) 4.586 1.389 ( 2.856 2.454 -1.589) 4.087 1.520 ( 0.094 -1.491 2.887) 3.250 1.593 ( 0.039 2.752 1.055) 2.948 1.614 ( -0.970 -0.726 -3.719) 3.912 1.696 ( -0.221 -0.887 -0.414) 1.004 1.770 ( -2.073 0.063 1.061) 2.330 2.017 ( 2.375 0.198 -8.656) 8.978 2.157 ( -2.661 2.642 1.251) 3.953 2.270 ( 1.334 -0.013 2.776) 3.081 2.308 ( -1.402 -3.266 -5.350) 6.423 2.436 ( 1.592 5.287 1.813) 5.812 2.518 ( -0.910 -0.704 0.282) 1.185 2.601 ( 0.479 -0.967 -1.632) 1.957 2.719 ( 1.454 -1.222 -0.218) 1.912 2.823 ( -2.134 0.373 3.908) 4.468 3.157 ( -3.498 4.821 6.625) 8.909 3.511 ( -0.690 -15.483 -0.331) 15.502 3.719 ( 1.546 2.630 -2.570) 3.989 5.453 ( 3.619 3.229 -2.920) 5.662 5.540 ( -0.104 -1.858 0.531) 1.935 8.914 ( 0.726 -3.160 -1.072) 3.415 9.373 ( -1.616 -3.719 3.491) 5.351 9.798 ( -1.514 -1.410 3.284) 3.881 10.093 ( -0.139 0.169 3.721) 3.728 10.389 ( 2.386 0.879 -1.855) 3.147 10.462 ( 0.219 5.720 -4.559) 7.318 ======================= Grid point 159 (52/242) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 1.372 6.479 -1.105) 6.714 1.044 ( 1.633 -1.874 1.263) 2.788 1.103 ( 7.389 10.931 2.567) 13.442 1.269 ( 3.387 -3.040 -2.745) 5.315 1.345 ( 1.381 2.622 -0.607) 3.025 1.477 ( 0.526 5.293 0.401) 5.335 1.573 ( 0.941 0.012 2.399) 2.577 1.640 ( -2.937 -1.742 -2.411) 4.180 1.687 ( -3.521 2.019 -2.327) 4.679 1.744 ( -2.927 -0.310 2.542) 3.890 1.982 ( 1.897 3.505 -4.662) 6.133 2.075 ( -1.833 3.430 -1.544) 4.184 2.259 ( 0.675 1.797 0.698) 2.042 2.318 ( -0.116 5.184 0.230) 5.190 2.389 ( 0.944 -3.118 -4.751) 5.761 2.519 ( 0.485 1.111 1.219) 1.719 2.630 ( 0.577 -2.222 -1.880) 2.967 2.742 ( 0.433 0.082 -0.683) 0.813 2.808 ( -1.312 1.190 3.839) 4.228 3.048 ( -3.394 5.047 7.103) 9.351 3.616 ( 0.862 4.620 -1.979) 5.099 3.956 ( -1.175 -26.386 -0.496) 26.417 5.374 ( 5.485 6.609 -4.703) 9.792 5.609 ( 0.025 -5.245 1.724) 5.521 8.994 ( 0.127 -4.631 -0.302) 4.643 9.468 ( -1.661 -5.987 3.315) 7.042 9.832 ( -1.419 -1.843 2.067) 3.112 10.096 ( 2.611 1.259 5.039) 5.813 10.316 ( -0.988 6.595 -7.134) 9.765 10.383 ( 2.794 1.517 0.421) 3.207 ======================= Grid point 160 (53/242) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 0.513 9.536 -0.931) 9.595 0.876 ( 7.429 15.148 3.407) 17.212 1.088 ( 0.862 0.614 -2.171) 2.415 1.275 ( 0.269 2.090 -2.345) 3.153 1.295 ( -2.844 4.290 2.092) 5.556 1.407 ( 1.398 3.651 -0.095) 3.910 1.530 ( -1.185 5.257 3.154) 6.244 1.595 ( -2.423 1.189 -0.169) 2.705 1.677 ( -0.384 -2.900 -1.240) 3.177 1.753 ( -0.250 -0.162 2.177) 2.197 1.906 ( -0.502 3.704 1.178) 3.919 2.006 ( 3.826 3.149 -5.827) 7.649 2.185 ( -1.385 4.987 -0.950) 5.262 2.239 ( -0.141 2.941 1.194) 3.177 2.432 ( -0.065 -1.283 -6.997) 7.114 2.466 ( 0.195 4.583 2.114) 5.050 2.674 ( -0.545 0.006 1.303) 1.413 2.688 ( 1.020 2.327 -3.674) 4.467 2.806 ( -0.833 -0.497 4.074) 4.188 3.006 ( -1.303 -0.634 3.839) 4.103 3.525 ( 0.621 4.195 -0.996) 4.356 4.460 ( -1.715 -24.617 -0.408) 24.680 5.227 ( 6.372 10.494 -8.850) 15.134 5.765 ( -0.448 -10.772 4.747) 11.780 9.078 ( -0.852 -3.919 0.649) 4.063 9.591 ( -1.192 -6.454 2.419) 6.994 9.826 ( -0.647 3.391 -0.002) 3.452 10.103 ( 6.672 1.887 7.383) 10.128 10.193 ( -3.460 1.621 -8.360) 9.192 10.375 ( 1.831 0.776 1.876) 2.734 ======================= Grid point 161 (54/242) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( -0.083 11.940 0.787) 11.967 0.628 ( 5.498 15.073 6.414) 17.278 0.957 ( -6.977 11.861 -0.113) 13.761 1.166 ( 1.911 7.128 3.042) 7.982 1.225 ( -3.772 2.507 -5.010) 6.754 1.332 ( -1.655 2.454 -2.230) 3.706 1.437 ( -0.468 2.616 4.131) 4.912 1.602 ( 1.193 -0.120 0.072) 1.202 1.732 ( 2.452 0.166 0.085) 2.459 1.774 ( 1.025 -2.423 3.175) 4.123 1.828 ( -0.244 3.140 1.741) 3.598 1.989 ( 5.702 0.348 -2.530) 6.248 2.094 ( -4.152 2.350 -2.638) 5.452 2.175 ( -0.006 3.869 0.479) 3.899 2.310 ( -2.730 8.258 1.559) 8.836 2.451 ( 2.389 0.739 -5.285) 5.847 2.594 ( -0.789 3.230 -1.592) 3.686 2.724 ( 0.312 -2.149 -1.683) 2.747 2.825 ( -0.838 -0.733 3.977) 4.130 3.053 ( 0.938 -3.406 -1.209) 3.734 3.467 ( -0.386 1.899 0.805) 2.098 4.809 ( 8.497 -5.316 -3.358) 10.570 4.996 ( -1.242 8.305 -16.047) 18.112 6.064 ( -2.427 -19.424 12.440) 23.193 9.130 ( -1.205 -1.824 1.070) 2.434 9.636 ( 3.070 7.846 -3.060) 8.964 9.756 ( -1.794 -2.801 2.035) 3.899 10.121 ( -1.483 -0.596 -2.099) 2.638 10.185 ( 4.633 -1.163 -0.396) 4.793 10.391 ( -0.599 -1.394 5.443) 5.651 ======================= Grid point 162 (55/242) ======================= q-point: (-0.08 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( 0.017 10.329 7.031) 12.495 0.402 ( 1.740 12.163 10.793) 16.354 0.631 ( -8.801 16.061 11.970) 21.879 1.061 ( -0.721 5.489 -1.630) 5.771 1.136 ( 3.642 2.311 -5.894) 7.304 1.300 ( -2.050 -0.757 1.349) 2.568 1.442 ( -0.630 -1.029 -0.176) 1.219 1.597 ( 0.448 0.559 -0.578) 0.920 1.671 ( 2.178 5.027 1.482) 5.675 1.842 ( 2.222 -1.600 1.211) 2.994 1.855 ( -2.394 -4.750 4.202) 6.779 2.007 ( -1.579 0.251 -0.721) 1.754 2.040 ( -1.012 0.750 -1.944) 2.317 2.105 ( 0.476 2.901 -1.113) 3.143 2.165 ( -1.573 4.380 1.596) 4.920 2.398 ( 1.935 5.304 -5.196) 7.673 2.547 ( -1.407 0.269 -4.388) 4.616 2.764 ( 0.605 -2.296 1.123) 2.626 2.846 ( 0.621 -0.829 3.258) 3.419 3.120 ( 1.562 -3.006 -4.118) 5.333 3.446 ( -1.528 0.369 2.202) 2.706 4.395 ( 11.424 40.489 -32.801) 53.346 5.081 ( -0.109 -7.762 -0.257) 7.767 6.591 ( -6.925 -35.128 22.217) 42.137 9.143 ( -0.578 0.031 0.716) 0.921 9.403 ( 5.515 16.800 -8.091) 19.446 9.818 ( -0.726 -1.497 -2.610) 3.095 10.065 ( -26.801 -2.345 -10.990) 29.062 10.269 ( 12.778 -0.993 3.993) 13.424 10.469 ( 10.639 -3.346 13.288) 17.348 ======================= Grid point 164 (56/242) ======================= q-point: ( 0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 3.421 -0.000 12.527) 12.985 0.364 ( 8.221 -0.000 11.143) 13.847 0.689 ( 13.614 -0.000 20.591) 24.685 0.956 ( 0.555 -0.000 -4.768) 4.801 1.196 ( 7.189 -0.000 -8.877) 11.423 1.330 ( -7.651 0.000 3.738) 8.516 1.402 ( -1.425 0.000 -0.057) 1.426 1.568 ( -3.664 0.000 -1.971) 4.161 1.614 ( -0.026 0.000 0.584) 0.585 1.770 ( -9.824 0.000 0.821) 9.858 1.871 ( -3.264 0.000 2.116) 3.890 1.913 ( -1.283 0.000 0.512) 1.381 2.013 ( -1.350 0.000 -0.373) 1.400 2.090 ( 1.276 -0.000 -1.740) 2.158 2.201 ( 1.687 -0.000 -0.077) 1.688 2.270 ( 5.920 -0.000 -3.194) 6.727 2.553 ( 1.648 -0.000 -5.032) 5.295 2.811 ( -0.559 0.000 3.009) 3.061 2.978 ( 0.017 -0.000 -2.042) 2.042 3.174 ( 4.596 -0.000 -4.873) 6.698 3.475 ( 1.074 -0.000 3.270) 3.442 3.592 ( -0.005 0.000 -0.069) 0.069 5.291 ( 12.364 -0.000 -5.199) 13.413 6.845 ( -34.171 0.000 17.609) 38.441 9.066 ( 0.201 -0.000 -0.495) 0.534 9.140 ( -0.124 0.000 0.430) 0.448 9.572 ( -9.336 0.000 4.608) 10.412 9.896 ( -0.843 0.000 3.136) 3.247 10.307 ( -1.453 0.000 0.738) 1.629 10.953 ( 15.473 -0.000 -7.939) 17.391 ======================= Grid point 165 (57/242) ======================= q-point: ( 0.17 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 1.275 -7.380 10.137) 12.604 0.519 ( 9.312 -7.345 8.171) 14.402 0.909 ( 11.578 -8.322 11.334) 18.215 1.011 ( 1.699 -5.400 -3.467) 6.638 1.169 ( 0.297 2.036 -4.414) 4.869 1.291 ( 1.774 -0.971 0.461) 2.074 1.379 ( -3.240 0.413 -0.226) 3.274 1.544 ( -2.593 -0.490 -1.351) 2.964 1.704 ( -6.757 -5.250 1.461) 8.681 1.734 ( -3.324 -1.846 0.097) 3.804 1.842 ( -2.934 1.172 1.846) 3.660 1.956 ( -1.378 -1.941 0.187) 2.388 2.056 ( 0.354 -5.644 -0.198) 5.658 2.103 ( 1.264 -1.630 -2.500) 3.241 2.207 ( 3.299 -0.546 0.051) 3.344 2.367 ( 1.389 -5.826 -3.074) 6.732 2.522 ( 0.331 1.692 -4.946) 5.238 2.795 ( 0.364 2.187 2.394) 3.263 2.907 ( 0.546 3.415 0.564) 3.504 3.080 ( 0.233 4.682 -2.875) 5.499 3.446 ( -0.301 -0.136 2.048) 2.074 4.147 ( -4.166 -35.196 -13.193) 37.817 5.236 ( 10.361 10.291 -4.962) 15.423 6.472 ( -15.584 20.276 17.481) 30.977 9.144 ( 0.036 0.025 0.639) 0.640 9.311 ( -5.613 -18.390 -5.522) 20.005 9.605 ( -4.778 -5.878 3.309) 8.266 9.859 ( 0.354 4.316 2.542) 5.021 10.310 ( -1.657 -1.009 0.465) 1.995 10.868 ( 9.395 11.347 -1.310) 14.790 ======================= Grid point 166 (58/242) ======================= q-point: ( 0.25 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -2.200 -10.628 7.008) 12.920 0.738 ( 7.845 -7.693 5.823) 12.435 1.052 ( -1.960 -2.677 -1.514) 3.647 1.089 ( 4.086 1.162 -1.762) 4.599 1.203 ( -1.190 -8.039 -2.789) 8.592 1.362 ( 1.910 -3.981 0.332) 4.428 1.402 ( -0.113 -2.724 1.251) 3.000 1.573 ( 2.125 -4.775 1.469) 5.429 1.704 ( -5.906 -0.075 0.755) 5.955 1.788 ( -3.853 -2.831 0.666) 4.828 1.853 ( -0.515 -2.480 1.910) 3.172 1.983 ( -0.858 -2.866 0.658) 3.064 2.107 ( 2.235 -0.469 -2.711) 3.544 2.223 ( 0.580 -7.879 -1.935) 8.134 2.243 ( 2.896 -0.911 -1.319) 3.310 2.475 ( 1.985 -4.169 -2.760) 5.379 2.498 ( -1.805 -2.577 -2.600) 4.082 2.749 ( 0.579 3.037 0.693) 3.168 2.869 ( -0.676 1.372 1.701) 2.288 3.001 ( -1.185 2.814 -0.028) 3.053 3.468 ( -0.059 -1.997 0.532) 2.067 4.642 ( -4.726 -19.493 -7.659) 21.470 5.015 ( 6.955 13.751 -5.928) 16.511 6.088 ( -4.903 17.061 8.961) 19.885 9.128 ( 0.243 2.090 0.728) 2.226 9.555 ( -6.411 -10.803 -3.719) 13.101 9.741 ( -2.473 -7.386 2.380) 8.145 9.765 ( 1.080 4.256 1.334) 4.589 10.328 ( -1.660 -1.686 -0.145) 2.370 10.687 ( 4.473 10.400 2.995) 11.711 ======================= Grid point 167 (59/242) ======================= q-point: ( 0.33 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -4.290 -7.545 2.110) 8.932 0.896 ( 3.598 -5.101 5.862) 8.564 1.032 ( -1.173 1.403 -2.457) 3.063 1.132 ( -0.017 -5.082 -0.294) 5.091 1.336 ( -3.343 -7.632 -5.538) 10.005 1.416 ( -2.485 -2.577 4.036) 5.395 1.451 ( -0.168 -1.005 -1.545) 1.851 1.694 ( -0.561 -1.667 0.416) 1.808 1.719 ( 2.888 -3.390 1.682) 4.761 1.811 ( 0.174 -1.474 0.645) 1.618 1.899 ( -0.284 -3.594 0.728) 3.678 2.059 ( 1.456 -2.618 -1.821) 3.505 2.143 ( -0.303 -4.834 -0.535) 4.873 2.249 ( 4.389 1.403 -4.210) 6.242 2.325 ( 1.418 -2.453 -2.578) 3.830 2.515 ( -1.171 -2.570 -0.159) 2.829 2.620 ( 1.965 -6.572 -2.629) 7.346 2.698 ( -0.180 2.108 0.953) 2.321 2.849 ( -1.209 0.614 2.527) 2.868 2.966 ( -2.850 -0.155 4.442) 5.280 3.528 ( 0.285 -4.187 -1.107) 4.340 4.504 ( 3.702 25.551 -0.098) 25.818 5.077 ( -3.173 -14.758 -7.466) 16.840 5.815 ( -1.623 11.098 3.615) 11.784 9.069 ( 0.224 4.130 0.127) 4.138 9.574 ( -2.299 5.358 1.985) 6.159 9.747 ( -0.952 -3.781 -0.410) 3.921 9.891 ( -2.336 -6.642 0.813) 7.088 10.348 ( -1.282 -1.221 -0.915) 1.993 10.569 ( 1.609 3.788 3.248) 5.243 ======================= Grid point 168 (60/242) ======================= q-point: ( 0.42 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -1.045 -0.279 0.077) 1.084 0.988 ( -2.884 0.643 0.727) 3.043 1.057 ( -2.573 -7.283 2.111) 8.008 1.242 ( 0.330 -5.063 -0.498) 5.098 1.407 ( -3.717 1.217 -0.343) 3.926 1.433 ( -4.236 -5.343 -3.403) 7.620 1.518 ( 1.709 -5.575 2.726) 6.437 1.671 ( -0.818 2.876 -0.769) 3.087 1.748 ( -0.050 0.576 -2.125) 2.202 1.837 ( 1.610 0.419 1.301) 2.112 2.011 ( 2.848 -5.092 -2.721) 6.437 2.092 ( 3.828 -1.233 -0.133) 4.024 2.231 ( 5.970 1.853 -3.759) 7.294 2.257 ( -0.302 -4.823 -0.684) 4.881 2.347 ( -0.033 -1.478 -1.041) 1.808 2.548 ( -1.788 -1.395 0.628) 2.353 2.642 ( 0.754 1.868 -1.781) 2.689 2.723 ( 0.764 -1.414 -1.253) 2.038 2.839 ( -1.690 0.897 4.295) 4.702 3.027 ( -3.159 -6.343 6.769) 9.800 3.619 ( 0.685 -4.992 -2.075) 5.450 3.976 ( 1.960 28.096 -0.396) 28.167 5.292 ( -2.495 -10.048 -3.844) 11.044 5.653 ( -0.853 6.032 1.325) 6.234 8.982 ( 0.199 4.567 -0.729) 4.629 9.451 ( -1.676 5.960 2.972) 6.868 9.792 ( -0.075 -0.557 1.828) 1.913 9.979 ( -3.565 -4.363 0.901) 5.706 10.363 ( -0.339 -1.286 -1.426) 1.950 10.562 ( 1.042 -0.803 0.899) 1.593 ======================= Grid point 169 (61/242) ======================= q-point: ( 0.50 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.260 -0.532 0.218) 0.631 0.962 ( -2.320 0.172 -0.155) 2.331 1.152 ( -2.831 -3.203 -0.860) 4.360 1.298 ( -3.157 -1.595 0.775) 3.621 1.386 ( -0.240 -1.288 -2.518) 2.838 1.484 ( -2.151 -1.361 1.296) 2.856 1.614 ( 1.488 1.761 -2.095) 3.115 1.638 ( 0.837 -3.741 1.160) 4.005 1.703 ( -0.243 1.743 -1.182) 2.120 1.817 ( 1.399 2.538 1.765) 3.393 2.075 ( 1.639 -2.717 -7.632) 8.265 2.114 ( 5.631 3.159 -2.629) 6.972 2.247 ( 4.352 -0.868 1.708) 4.755 2.281 ( -1.121 -0.266 -0.673) 1.334 2.419 ( -1.381 -4.718 0.583) 4.950 2.553 ( -0.245 0.506 0.917) 1.075 2.608 ( -0.055 1.165 -1.473) 1.878 2.718 ( 0.037 1.008 -1.726) 1.999 2.827 ( -2.229 0.258 5.067) 5.541 3.153 ( -2.453 -5.177 6.256) 8.483 3.523 ( 0.775 16.645 -0.296) 16.665 3.711 ( 0.763 -3.310 -2.601) 4.278 5.420 ( -0.715 -5.165 -2.290) 5.695 5.566 ( -0.696 2.966 0.314) 3.063 8.907 ( 0.373 2.827 -1.284) 3.127 9.359 ( -1.597 3.195 3.241) 4.823 9.790 ( -0.799 0.725 3.284) 3.457 10.036 ( -2.851 -3.077 1.873) 4.594 10.384 ( 0.562 -1.118 -1.818) 2.207 10.579 ( 1.180 0.198 -1.634) 2.026 ======================= Grid point 170 (62/242) ======================= q-point: (-0.42 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.204 -1.809 -0.257) 1.839 0.974 ( -0.697 -2.509 1.242) 2.885 1.159 ( 0.119 -0.237 -3.395) 3.405 1.308 ( -1.603 -0.409 -0.187) 1.665 1.409 ( 0.955 -1.266 -1.775) 2.380 1.492 ( -1.380 -1.188 3.174) 3.659 1.587 ( 0.654 0.988 -1.844) 2.192 1.672 ( 0.505 0.730 -1.139) 1.444 1.694 ( 1.373 0.687 -0.134) 1.541 1.789 ( 1.457 1.570 3.456) 4.066 2.043 ( 4.193 3.926 -7.722) 9.624 2.124 ( -0.352 -3.472 -5.775) 6.748 2.259 ( -1.971 0.480 1.501) 2.524 2.297 ( 1.923 -0.138 1.263) 2.305 2.478 ( -2.129 -2.236 0.948) 3.229 2.528 ( 1.023 2.603 1.230) 3.055 2.594 ( 0.540 0.200 -1.759) 1.851 2.706 ( 0.542 -0.552 -1.047) 1.302 2.825 ( -2.159 0.080 4.392) 4.895 3.205 ( -2.875 0.035 6.193) 6.828 3.358 ( 0.142 0.327 -0.350) 0.499 3.748 ( 1.161 -0.245 -2.593) 2.852 5.478 ( 1.217 -1.349 -2.295) 2.927 5.529 ( -0.308 0.637 0.362) 0.795 8.881 ( 0.647 -0.295 -1.408) 1.577 9.332 ( -1.577 -0.403 3.332) 3.708 9.784 ( -1.413 -0.039 3.546) 3.817 10.077 ( -1.714 -1.877 2.930) 3.878 10.400 ( 1.305 -0.366 -2.140) 2.533 10.547 ( 1.207 3.278 -2.936) 4.563 ======================= Grid point 171 (63/242) ======================= q-point: (-0.33 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.045 -1.528 -1.610) 2.220 1.023 ( 0.265 -0.804 3.461) 3.563 1.196 ( 4.834 -3.705 -2.982) 6.781 1.285 ( 0.468 2.589 -0.599) 2.698 1.415 ( 2.790 2.327 -1.096) 3.794 1.535 ( -0.331 -1.718 3.217) 3.662 1.586 ( -0.450 -1.098 -1.882) 2.225 1.602 ( 0.228 3.965 0.500) 4.003 1.689 ( -0.506 0.990 -1.469) 1.843 1.761 ( -1.045 2.505 2.494) 3.686 2.003 ( 2.971 0.284 -8.096) 8.628 2.136 ( -2.266 2.395 0.741) 3.379 2.262 ( -1.119 -3.516 -6.879) 7.806 2.295 ( 0.678 1.215 1.877) 2.336 2.458 ( 0.772 4.810 1.951) 5.248 2.514 ( -0.363 -1.524 0.821) 1.769 2.597 ( 0.455 -0.920 -1.745) 2.024 2.732 ( 1.283 -1.225 -0.655) 1.891 2.821 ( -2.027 0.247 4.209) 4.678 3.153 ( -3.480 4.909 6.653) 8.970 3.504 ( -0.398 -14.795 -0.193) 14.802 3.722 ( 1.456 2.322 -2.601) 3.778 5.470 ( 2.480 2.261 -3.676) 4.978 5.547 ( 0.425 -2.037 1.543) 2.591 8.916 ( 0.598 -3.180 -1.100) 3.418 9.372 ( -1.659 -3.691 3.259) 5.196 9.796 ( -1.605 -1.216 2.861) 3.498 10.107 ( -0.585 -1.108 3.657) 3.866 10.393 ( 1.098 1.680 -4.355) 4.795 10.461 ( 2.018 5.142 -0.602) 5.557 ======================= Grid point 172 (64/242) ======================= q-point: (-0.25 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 1.155 6.079 -1.089) 6.283 1.057 ( -0.098 -2.157 0.743) 2.283 1.178 ( 4.216 10.156 1.379) 11.082 1.286 ( 0.261 -1.604 -1.215) 2.029 1.364 ( 4.448 3.291 -2.445) 6.049 1.497 ( 2.262 4.202 1.949) 5.155 1.574 ( -3.562 -1.115 0.171) 3.736 1.604 ( -1.406 1.711 0.923) 2.399 1.652 ( -0.741 0.998 -0.815) 1.487 1.732 ( -1.978 -0.615 3.132) 3.755 1.989 ( 3.283 2.670 -3.941) 5.783 2.049 ( -1.152 3.290 -2.345) 4.202 2.267 ( 0.605 2.207 -0.555) 2.355 2.295 ( -2.261 1.097 -3.104) 3.994 2.383 ( 1.403 1.022 -3.380) 3.799 2.531 ( 0.335 0.868 1.795) 2.022 2.628 ( 0.702 -2.310 -1.620) 2.907 2.743 ( 0.374 0.994 -0.957) 1.430 2.815 ( -1.181 0.523 4.077) 4.277 3.045 ( -3.504 4.750 6.760) 8.974 3.616 ( 0.924 4.375 -1.783) 4.814 3.944 ( -0.477 -25.566 -0.455) 25.575 5.397 ( 3.437 6.092 -5.528) 8.915 5.622 ( 0.294 -5.354 2.579) 5.950 8.993 ( -0.010 -4.431 -0.356) 4.446 9.466 ( -1.641 -5.990 2.989) 6.892 9.823 ( -1.634 -1.574 1.166) 2.551 10.130 ( -0.609 -0.334 2.419) 2.517 10.291 ( 2.052 6.708 -3.717) 7.939 10.418 ( 2.489 1.814 2.081) 3.717 ======================= Grid point 173 (65/242) ======================= q-point: (-0.17 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 1.364 9.894 0.626) 10.008 0.960 ( 3.815 14.392 3.122) 15.213 1.076 ( -0.125 1.536 -3.159) 3.515 1.225 ( -5.355 3.542 -0.984) 6.495 1.315 ( 4.408 4.445 -1.482) 6.434 1.405 ( -2.059 6.943 1.718) 7.443 1.532 ( -1.560 4.905 2.254) 5.619 1.583 ( -0.351 -1.396 0.039) 1.440 1.688 ( 2.764 -3.698 1.384) 4.820 1.757 ( -1.386 -1.761 2.888) 3.655 1.905 ( -0.879 4.879 1.417) 5.156 2.026 ( 5.266 0.277 -6.025) 8.007 2.160 ( -2.023 6.685 -1.279) 7.101 2.245 ( -0.082 2.733 1.425) 3.083 2.391 ( -0.581 -0.333 -7.737) 7.766 2.481 ( 0.967 4.207 1.252) 4.495 2.675 ( 0.507 1.059 -4.424) 4.578 2.678 ( -0.512 1.379 2.088) 2.554 2.820 ( -0.567 -0.483 4.236) 4.301 3.004 ( -2.075 -0.793 2.938) 3.683 3.527 ( 0.626 4.218 -0.889) 4.356 4.447 ( -0.333 -24.861 -0.231) 24.864 5.231 ( 3.376 11.432 -10.296) 15.751 5.785 ( -0.648 -11.189 5.367) 12.426 9.072 ( -0.730 -3.729 0.564) 3.841 9.590 ( -1.113 -6.704 2.319) 7.180 9.815 ( -1.150 2.784 -0.764) 3.107 10.075 ( -5.853 3.336 -6.603) 9.433 10.246 ( 7.794 0.309 5.497) 9.543 10.407 ( 1.546 0.960 3.997) 4.392 ======================= Grid point 174 (66/242) ======================= q-point: (-0.08 0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 2.590 11.508 3.517) 12.309 0.696 ( -0.720 14.694 5.359) 15.657 0.928 ( 1.639 12.754 4.248) 13.543 1.157 ( -3.330 2.277 -5.904) 7.151 1.208 ( 2.722 6.866 1.528) 7.543 1.305 ( -0.533 2.266 -1.849) 2.973 1.441 ( -1.735 2.840 1.792) 3.780 1.593 ( -1.742 -0.298 -0.887) 1.977 1.773 ( 1.972 -0.506 2.751) 3.423 1.795 ( 0.079 -0.907 3.568) 3.682 1.825 ( -1.255 1.029 0.851) 1.833 2.029 ( -0.958 3.919 -1.501) 4.305 2.047 ( 2.952 -0.047 -3.285) 4.417 2.185 ( 1.114 4.033 0.952) 4.291 2.283 ( -2.698 7.537 -0.583) 8.026 2.455 ( 3.196 0.577 -5.239) 6.164 2.569 ( -2.009 4.367 -2.415) 5.380 2.725 ( 0.797 -2.372 -0.096) 2.504 2.841 ( 0.080 -0.762 3.846) 3.921 3.045 ( -0.818 -3.529 -1.969) 4.123 3.467 ( -0.326 2.113 0.695) 2.248 4.845 ( -3.817 -12.216 -2.167) 12.980 4.922 ( 8.346 16.026 -18.184) 25.635 6.090 ( -4.189 -19.824 11.923) 23.510 9.125 ( -0.782 -1.884 0.998) 2.271 9.648 ( 1.885 7.451 -3.061) 8.273 9.749 ( -1.137 -3.362 1.785) 3.972 9.947 ( -13.906 3.400 -8.422) 16.609 10.311 ( 5.786 -0.119 1.336) 5.940 10.464 ( 7.166 -4.659 10.415) 13.474 ======================= Grid point 177 (67/242) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 9.242 -0.000 8.837) 12.788 0.518 ( 10.627 -0.000 8.851) 13.830 0.925 ( 12.538 -0.000 12.626) 17.794 0.947 ( 2.369 -0.000 -5.121) 5.643 1.201 ( 1.379 -0.000 -4.563) 4.767 1.298 ( -0.569 0.000 3.064) 3.116 1.382 ( -2.505 0.000 0.255) 2.518 1.514 ( -4.499 0.000 -1.482) 4.737 1.603 ( -2.214 0.000 -0.030) 2.214 1.674 ( -8.352 0.000 -0.941) 8.405 1.853 ( -2.039 0.000 1.733) 2.676 1.894 ( -2.516 0.000 -0.064) 2.516 2.004 ( -0.101 0.000 0.473) 0.484 2.100 ( 1.834 -0.000 -0.943) 2.062 2.220 ( 1.908 -0.000 -0.217) 1.921 2.312 ( 3.858 -0.000 -1.890) 4.296 2.522 ( -2.232 0.000 -6.106) 6.501 2.823 ( 0.040 -0.000 2.623) 2.623 2.947 ( -3.119 0.000 -0.823) 3.225 3.201 ( 5.523 -0.000 -6.404) 8.457 3.502 ( 0.811 -0.000 3.219) 3.319 3.592 ( 0.065 -0.000 -0.049) 0.082 5.383 ( 9.796 -0.000 -6.100) 11.540 6.639 ( -22.358 0.000 19.988) 29.990 9.066 ( 0.216 -0.000 -0.480) 0.526 9.141 ( -0.083 0.000 0.420) 0.428 9.540 ( -2.255 0.000 4.014) 4.604 9.913 ( 1.008 -0.000 2.376) 2.581 10.289 ( -2.306 0.000 0.391) 2.339 11.026 ( 6.700 -0.000 -7.204) 9.838 ======================= Grid point 178 (68/242) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 6.504 -3.117 8.243) 10.953 0.666 ( 10.475 -6.007 7.150) 14.033 0.984 ( 2.596 -3.349 -3.465) 5.473 1.063 ( 1.262 -5.319 -1.597) 5.695 1.171 ( 5.161 3.968 2.725) 7.058 1.316 ( 1.858 -1.703 1.017) 2.718 1.359 ( -0.733 -1.292 1.647) 2.218 1.515 ( -1.458 -1.901 -0.404) 2.430 1.620 ( -7.965 -3.952 0.594) 8.911 1.700 ( -3.851 -4.211 -0.977) 5.789 1.819 ( -2.892 0.383 1.696) 3.374 1.939 ( -1.814 -2.656 0.211) 3.224 2.062 ( 0.800 -6.484 -0.074) 6.534 2.109 ( 1.764 -0.158 -1.828) 2.545 2.238 ( 2.462 -0.937 -0.253) 2.646 2.373 ( 1.000 -4.484 -1.061) 4.715 2.483 ( -2.502 0.596 -5.587) 6.151 2.809 ( 0.094 2.216 2.165) 3.099 2.901 ( -1.199 2.171 -0.372) 2.508 3.083 ( 2.531 6.675 -2.684) 7.626 3.455 ( 0.010 0.349 2.196) 2.224 4.061 ( -2.646 -31.196 -7.088) 32.100 5.310 ( 7.905 10.614 -4.847) 14.094 6.408 ( -11.351 15.393 14.722) 24.135 9.148 ( 0.256 -0.224 0.566) 0.660 9.240 ( -4.047 -14.794 -1.927) 15.458 9.595 ( -1.072 -5.601 3.140) 6.510 9.880 ( 1.154 4.446 2.247) 5.114 10.288 ( -2.469 -1.120 -0.023) 2.711 10.928 ( 4.566 10.181 -3.211) 11.611 ======================= Grid point 179 (69/242) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 1.421 -6.586 6.309) 9.230 0.860 ( 9.039 -5.904 5.650) 12.185 1.026 ( -1.742 -0.832 -0.460) 1.984 1.103 ( 0.854 1.324 -2.826) 3.236 1.166 ( -1.274 -5.304 -5.047) 7.431 1.362 ( -2.600 -2.089 3.010) 4.493 1.414 ( 0.271 -2.545 -1.129) 2.797 1.630 ( 5.262 -6.828 0.871) 8.665 1.657 ( -2.564 -2.971 2.756) 4.796 1.736 ( -5.675 -3.724 -0.711) 6.825 1.846 ( -1.659 -2.632 0.924) 3.245 1.979 ( -0.484 -3.506 0.458) 3.569 2.110 ( 1.112 -0.005 -2.606) 2.833 2.222 ( 1.092 -7.979 -1.604) 8.212 2.273 ( 3.304 -0.666 -0.939) 3.498 2.463 ( -2.021 -1.372 -3.332) 4.131 2.484 ( 1.226 -6.895 -0.100) 7.004 2.756 ( 0.190 3.309 0.598) 3.368 2.864 ( -1.364 1.255 0.847) 2.038 2.996 ( -0.061 3.130 0.483) 3.167 3.471 ( 0.040 -1.617 0.624) 1.734 4.568 ( -2.954 -23.039 -5.779) 23.936 5.055 ( 5.194 17.516 -4.111) 18.727 6.080 ( -4.164 16.028 7.171) 18.046 9.136 ( 0.513 2.198 0.609) 2.338 9.480 ( -4.986 -11.841 -1.422) 12.927 9.735 ( -1.038 -6.591 2.184) 7.021 9.786 ( 1.070 4.451 2.432) 5.183 10.303 ( -2.374 -1.844 -0.866) 3.128 10.729 ( 2.048 10.615 0.105) 10.812 ======================= Grid point 180 (70/242) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -2.595 -5.531 2.195) 6.492 0.971 ( 2.752 -1.009 7.603) 8.149 1.009 ( 0.067 1.110 -2.570) 2.800 1.141 ( 1.868 -5.235 -0.334) 5.569 1.268 ( -3.557 -7.312 -5.462) 9.796 1.402 ( -4.080 -0.291 1.668) 4.417 1.427 ( -2.321 -3.587 -0.059) 4.272 1.698 ( 0.273 -0.623 0.349) 0.765 1.716 ( -1.450 -2.258 -2.565) 3.712 1.824 ( 1.031 -2.816 0.376) 3.022 1.915 ( 3.023 -6.042 0.456) 6.771 2.071 ( 1.851 -3.769 -0.740) 4.264 2.135 ( -0.907 -4.373 -0.029) 4.466 2.281 ( 3.831 1.182 -2.179) 4.563 2.329 ( 1.953 -2.585 -2.711) 4.225 2.492 ( -2.322 -2.779 -0.803) 3.710 2.640 ( 3.527 -6.140 -1.976) 7.352 2.700 ( -0.399 2.028 1.410) 2.502 2.844 ( -1.711 0.009 1.839) 2.512 2.960 ( -2.690 0.097 4.818) 5.519 3.525 ( 0.288 -4.002 -1.111) 4.163 4.548 ( 4.367 26.523 -0.200) 26.881 5.006 ( -3.709 -15.721 -5.830) 17.173 5.813 ( -1.633 10.995 2.621) 11.420 9.073 ( 0.390 4.445 0.052) 4.463 9.558 ( -2.309 3.318 2.068) 4.541 9.743 ( -0.148 -3.686 0.794) 3.773 9.877 ( -1.774 -5.043 2.152) 5.763 10.324 ( -1.728 -1.784 -1.760) 3.044 10.588 ( 0.345 4.005 0.333) 4.033 ======================= Grid point 181 (71/242) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -1.469 -1.450 0.161) 2.071 0.956 ( -3.002 0.995 -0.791) 3.260 1.065 ( 0.540 -3.891 4.490) 5.966 1.241 ( -0.211 -3.413 -0.539) 3.462 1.345 ( -4.633 -1.958 -3.430) 6.088 1.390 ( -2.240 -4.759 -0.597) 5.293 1.540 ( -0.537 -6.638 1.546) 6.837 1.667 ( 1.815 2.155 -1.621) 3.251 1.738 ( 0.374 1.153 -1.840) 2.203 1.839 ( -1.570 0.040 0.619) 1.688 2.033 ( 4.460 -2.859 -4.773) 7.130 2.138 ( 3.515 -2.605 1.560) 4.645 2.245 ( -0.347 -3.902 -0.519) 3.951 2.281 ( 2.921 -0.954 -0.051) 3.074 2.346 ( 2.337 0.143 -2.636) 3.526 2.525 ( -2.767 -2.148 0.112) 3.505 2.640 ( 0.633 2.232 -1.767) 2.917 2.727 ( 1.012 -0.226 -1.036) 1.466 2.841 ( -1.798 0.730 3.946) 4.398 3.029 ( -2.904 -6.917 6.888) 10.184 3.616 ( 0.696 -5.139 -2.129) 5.606 3.995 ( 1.901 29.309 -0.415) 29.373 5.248 ( -2.124 -11.302 -3.398) 11.991 5.649 ( -0.902 6.093 0.758) 6.206 8.981 ( 0.323 4.767 -0.735) 4.834 9.449 ( -1.608 5.842 3.342) 6.920 9.805 ( 0.427 -0.622 2.172) 2.299 9.950 ( -3.290 -4.285 2.125) 5.805 10.349 ( -0.501 -1.952 -2.226) 3.003 10.568 ( 0.283 -0.847 -1.432) 1.687 ======================= Grid point 182 (72/242) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.029 -0.759 0.231) 0.794 0.937 ( -1.622 -0.839 -1.084) 2.123 1.124 ( -2.114 -1.984 -0.028) 2.900 1.272 ( -2.135 -1.760 1.093) 2.975 1.369 ( -0.541 -2.394 -2.419) 3.446 1.473 ( -1.113 -2.920 1.355) 3.406 1.613 ( 0.335 0.621 -2.186) 2.297 1.656 ( 1.688 -0.407 -0.291) 1.760 1.702 ( 0.742 0.114 -0.645) 0.990 1.825 ( -1.087 0.671 1.725) 2.146 2.063 ( 3.973 -0.659 -9.615) 10.424 2.163 ( 4.287 4.099 0.156) 5.934 2.254 ( -2.291 -0.258 0.596) 2.382 2.310 ( 4.514 0.055 0.687) 4.566 2.404 ( -1.931 -4.444 0.599) 4.882 2.550 ( -0.810 -1.222 0.375) 1.513 2.602 ( 0.441 1.301 -1.469) 2.011 2.708 ( -0.189 1.189 -1.917) 2.264 2.829 ( -2.092 0.356 5.114) 5.537 3.158 ( -2.374 -5.002 6.176) 8.294 3.529 ( 0.645 17.270 -0.312) 17.285 3.708 ( 0.916 -3.580 -2.518) 4.472 5.401 ( -0.383 -6.292 -2.565) 6.806 5.561 ( -0.582 2.905 0.276) 2.975 8.905 ( 0.472 2.806 -1.264) 3.113 9.359 ( -1.528 3.201 3.501) 4.983 9.797 ( -0.946 1.085 3.315) 3.614 10.021 ( -2.131 -3.655 2.738) 5.040 10.379 ( 0.412 -1.622 -2.474) 2.986 10.578 ( 0.787 0.125 -2.860) 2.969 ======================= Grid point 183 (73/242) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.006 -1.548 -0.518) 1.632 0.972 ( -0.657 -3.516 0.835) 3.673 1.156 ( 1.866 -2.505 -1.962) 3.689 1.294 ( -0.926 -0.616 0.520) 1.228 1.401 ( -0.494 -2.085 -1.771) 2.779 1.500 ( -0.444 -1.423 3.302) 3.623 1.589 ( 1.196 1.224 -1.642) 2.372 1.670 ( 0.296 0.509 -1.576) 1.682 1.704 ( 0.579 0.617 -0.471) 0.969 1.810 ( -0.673 1.386 2.337) 2.799 2.047 ( 4.013 3.838 -9.364) 10.887 2.104 ( 1.538 -0.796 -3.324) 3.748 2.242 ( -1.828 1.079 0.797) 2.267 2.324 ( 1.239 0.799 1.434) 2.057 2.463 ( -1.510 -2.785 1.328) 3.435 2.542 ( 0.428 2.281 1.141) 2.586 2.590 ( 0.434 0.232 -2.052) 2.110 2.704 ( 0.277 -1.573 -1.415) 2.134 2.826 ( -1.904 0.252 4.689) 5.067 3.206 ( -2.831 0.335 6.182) 6.808 3.358 ( 0.183 0.481 -0.295) 0.593 3.748 ( 1.197 -0.363 -2.552) 2.842 5.475 ( 0.734 -1.811 -2.957) 3.544 5.532 ( 0.130 -0.042 0.989) 0.998 8.880 ( 0.640 -0.383 -1.415) 1.599 9.331 ( -1.558 -0.327 3.349) 3.708 9.785 ( -1.602 0.165 3.340) 3.708 10.077 ( -1.325 -2.368 3.521) 4.445 10.398 ( 0.820 -0.550 -3.028) 3.185 10.548 ( 1.482 2.869 -2.442) 4.049 ======================= Grid point 184 (74/242) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.489 -1.356 -1.769) 2.282 1.033 ( -1.000 -1.650 2.454) 3.121 1.233 ( 3.805 -3.691 -1.660) 5.554 1.286 ( 0.615 1.323 -0.503) 1.543 1.429 ( 0.962 -0.248 -1.416) 1.730 1.540 ( -1.372 -0.664 2.221) 2.693 1.590 ( 2.055 0.832 -0.134) 2.221 1.609 ( 0.010 1.836 1.667) 2.480 1.667 ( -1.453 2.753 -2.330) 3.888 1.773 ( 0.101 2.981 3.469) 4.575 2.001 ( 4.042 0.204 -7.524) 8.544 2.116 ( -1.539 2.053 -0.361) 2.591 2.218 ( -0.329 -1.914 -7.449) 7.698 2.305 ( -0.161 1.490 1.323) 1.999 2.470 ( 0.032 4.819 0.645) 4.862 2.517 ( -0.055 -2.281 1.458) 2.708 2.595 ( 0.621 -1.090 -1.171) 1.716 2.739 ( 0.832 -1.329 -1.112) 1.922 2.822 ( -1.895 0.217 4.556) 4.939 3.149 ( -3.362 5.035 6.632) 8.980 3.501 ( 0.008 -14.500 -0.047) 14.501 3.724 ( 1.294 2.205 -2.615) 3.657 5.471 ( 1.232 1.658 -3.533) 4.093 5.561 ( 0.611 -2.138 1.615) 2.748 8.916 ( 0.468 -3.148 -1.153) 3.385 9.370 ( -1.662 -3.612 3.069) 5.023 9.792 ( -1.719 -0.939 2.466) 3.149 10.115 ( -1.394 -1.301 3.318) 3.827 10.380 ( 0.974 2.374 -4.498) 5.178 10.489 ( 2.614 3.468 1.116) 4.484 ======================= Grid point 185 (75/242) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 0.253 4.726 -0.950) 4.827 1.051 ( -1.254 -1.246 0.054) 1.768 1.208 ( 0.335 8.891 0.690) 8.924 1.254 ( -3.331 1.628 -2.229) 4.325 1.411 ( 5.326 2.683 -2.369) 6.417 1.519 ( -5.165 2.284 2.963) 6.378 1.543 ( 2.273 2.092 -0.049) 3.090 1.611 ( 2.150 0.539 1.609) 2.739 1.663 ( 1.518 -1.063 1.888) 2.646 1.733 ( -0.710 0.815 3.331) 3.502 2.008 ( 1.511 4.174 -0.379) 4.456 2.029 ( 1.600 0.710 -5.442) 5.717 2.240 ( -0.942 -0.243 -7.681) 7.743 2.278 ( -0.232 1.795 0.957) 2.047 2.376 ( 0.343 3.116 -3.230) 4.502 2.544 ( 0.284 0.758 1.983) 2.142 2.629 ( 0.879 -2.211 -1.398) 2.759 2.740 ( 0.100 1.630 -1.212) 2.033 2.823 ( -1.288 -0.028 4.268) 4.458 3.040 ( -3.597 4.843 6.559) 8.912 3.618 ( 1.005 4.320 -1.670) 4.740 3.941 ( 0.275 -25.376 -0.403) 25.381 5.394 ( 1.350 6.306 -5.563) 8.517 5.638 ( 0.089 -5.465 2.685) 6.090 8.990 ( -0.059 -4.306 -0.455) 4.331 9.463 ( -1.609 -6.033 2.772) 6.832 9.809 ( -1.694 -1.084 0.654) 2.115 10.108 ( -3.411 2.049 -0.772) 4.054 10.318 ( 3.779 2.984 -0.271) 4.822 10.457 ( 2.200 2.129 3.471) 4.628 ======================= Grid point 186 (76/242) ======================= q-point: (-0.08 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 2.354 8.787 2.113) 9.339 0.964 ( -5.016 13.134 2.321) 14.250 1.069 ( 1.510 0.480 -3.601) 3.934 1.171 ( -3.314 3.890 -1.160) 5.240 1.361 ( 3.820 5.348 -0.314) 6.579 1.399 ( 0.535 7.375 1.257) 7.501 1.504 ( -4.179 2.562 -0.808) 4.968 1.598 ( 2.374 2.376 2.202) 4.016 1.735 ( 1.187 -3.138 2.867) 4.413 1.753 ( -0.266 -2.505 3.040) 3.948 1.904 ( -0.458 4.661 0.976) 4.784 2.051 ( 3.711 -0.492 -4.470) 5.830 2.138 ( -0.257 7.051 -1.548) 7.223 2.248 ( -0.341 1.588 0.209) 1.637 2.348 ( 0.140 0.815 -7.656) 7.700 2.499 ( 1.375 3.758 0.826) 4.086 2.652 ( -0.548 4.029 -4.068) 5.752 2.686 ( 0.032 -1.052 1.612) 1.926 2.834 ( -0.584 -0.730 3.940) 4.050 2.992 ( -2.733 -0.429 2.906) 4.012 3.529 ( 0.533 4.258 -0.907) 4.386 4.451 ( 1.157 -25.013 -0.115) 25.040 5.200 ( 0.592 12.685 -10.236) 16.311 5.802 ( -1.159 -11.299 5.133) 12.465 9.068 ( -0.429 -3.706 0.422) 3.754 9.590 ( -1.235 -6.956 2.319) 7.436 9.794 ( -1.664 2.425 -1.487) 3.296 9.985 ( -5.319 6.694 -4.192) 9.522 10.332 ( 4.111 -0.714 1.749) 4.524 10.456 ( 2.636 -0.546 6.741) 7.259 ======================= Grid point 190 (77/242) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 11.538 -0.000 6.229) 13.112 0.673 ( 10.518 -0.000 6.967) 12.616 0.957 ( 4.139 -0.000 -4.683) 6.250 1.006 ( -0.579 0.000 -3.813) 3.857 1.271 ( 7.201 -0.000 8.531) 11.164 1.325 ( 3.612 -0.000 1.483) 3.904 1.351 ( -3.676 0.000 0.714) 3.745 1.457 ( -4.302 0.000 -0.934) 4.403 1.567 ( -3.838 0.000 -1.148) 4.006 1.589 ( -5.910 0.000 -0.292) 5.917 1.845 ( -0.484 0.000 0.981) 1.094 1.863 ( -2.948 0.000 -0.018) 2.948 2.013 ( 0.896 -0.000 0.761) 1.176 2.116 ( 1.451 -0.000 -0.048) 1.452 2.238 ( 1.608 -0.000 -0.259) 1.629 2.317 ( -2.813 0.000 -1.728) 3.301 2.459 ( -2.558 0.000 -5.026) 5.639 2.836 ( -0.005 0.000 2.185) 2.185 2.916 ( -1.840 0.000 -0.623) 1.942 3.228 ( 5.744 -0.000 -7.189) 9.202 3.523 ( -0.039 0.000 3.355) 3.355 3.593 ( 0.109 -0.000 0.002) 0.109 5.442 ( 6.621 -0.000 -5.068) 8.338 6.540 ( -13.785 0.000 16.506) 21.505 9.066 ( 0.226 -0.000 -0.453) 0.506 9.142 ( -0.069 0.000 0.403) 0.409 9.545 ( -0.561 0.000 3.424) 3.470 9.938 ( 1.349 -0.000 2.227) 2.603 10.263 ( -2.677 0.000 -0.141) 2.681 11.045 ( 3.490 -0.000 -6.189) 7.106 ======================= Grid point 191 (78/242) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 8.812 0.030 6.087) 10.710 0.807 ( 9.211 -5.266 5.540) 11.969 0.998 ( 3.587 -2.437 -3.991) 5.894 1.022 ( -2.150 -2.972 -4.401) 5.729 1.221 ( 0.108 5.727 0.752) 5.777 1.344 ( -0.722 -0.218 1.470) 1.653 1.363 ( -0.071 -1.022 0.703) 1.242 1.503 ( -2.374 -6.964 -0.306) 7.363 1.583 ( 2.091 -3.754 5.111) 6.677 1.643 ( -5.311 -4.142 -1.642) 6.932 1.800 ( -2.059 0.274 1.462) 2.541 1.925 ( -0.392 -3.053 -0.601) 3.136 2.070 ( 0.651 -5.918 -0.406) 5.967 2.119 ( 1.330 0.271 -0.816) 1.584 2.255 ( 0.395 -1.661 0.235) 1.723 2.356 ( -3.938 -5.971 -1.889) 7.398 2.438 ( -0.163 0.213 -2.773) 2.786 2.818 ( -0.255 2.377 1.902) 3.055 2.887 ( -0.722 1.609 -0.924) 1.991 3.101 ( 3.287 7.826 -3.320) 9.115 3.466 ( -0.139 0.691 2.351) 2.454 4.014 ( -1.164 -28.428 -4.171) 28.756 5.359 ( 5.460 10.487 -3.939) 12.463 6.371 ( -8.031 13.246 11.437) 19.255 9.154 ( 0.323 -0.558 0.499) 0.815 9.201 ( -2.251 -12.202 -0.540) 12.420 9.603 ( -0.540 -5.367 2.874) 6.112 9.904 ( 1.069 4.563 2.469) 5.297 10.258 ( -2.561 -1.089 -0.751) 2.883 10.946 ( 2.440 9.500 -4.050) 10.611 ======================= Grid point 192 (79/242) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 3.237 -2.506 4.714) 6.244 0.974 ( 6.233 -5.812 2.464) 8.871 1.013 ( -0.432 1.454 3.147) 3.494 1.080 ( -0.110 -3.802 -6.131) 7.215 1.153 ( 1.718 0.375 -0.557) 1.844 1.337 ( -4.172 -2.130 0.496) 4.710 1.384 ( -3.928 -0.907 -0.993) 4.152 1.635 ( 0.003 -5.906 0.017) 5.906 1.651 ( -5.444 -2.105 -2.229) 6.248 1.737 ( 5.738 -7.340 3.813) 10.067 1.834 ( -1.037 -3.307 0.371) 3.486 1.976 ( -0.120 -3.909 -0.179) 3.915 2.108 ( 0.491 0.086 -1.612) 1.687 2.227 ( 0.884 -7.559 -1.440) 7.745 2.301 ( 2.332 -1.365 -0.063) 2.703 2.421 ( -2.415 -2.684 -3.400) 4.959 2.503 ( 1.525 -7.740 1.651) 8.060 2.759 ( -0.093 3.463 0.624) 3.520 2.852 ( -1.295 1.373 0.399) 1.929 2.999 ( 0.256 3.694 0.047) 3.703 3.475 ( -0.004 -1.236 0.750) 1.445 4.520 ( -1.184 -24.556 -4.316) 24.960 5.086 ( 3.747 19.564 -2.810) 20.117 6.069 ( -3.638 15.450 5.314) 16.738 9.144 ( 0.535 2.278 0.546) 2.402 9.434 ( -3.003 -12.054 0.061) 12.423 9.736 ( -0.780 -5.943 1.795) 6.257 9.810 ( 0.442 4.387 3.470) 5.611 10.272 ( -2.113 -1.885 -1.753) 3.330 10.737 ( 0.694 10.758 -2.156) 10.994 ======================= Grid point 193 (80/242) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -1.342 -3.050 1.747) 3.763 0.965 ( -3.594 1.784 0.002) 4.012 1.067 ( 5.288 0.444 4.315) 6.840 1.161 ( 2.229 -5.930 -1.872) 6.606 1.217 ( -1.224 -4.894 -2.495) 5.628 1.349 ( -4.989 0.487 -0.629) 5.052 1.400 ( -3.552 -6.343 0.406) 7.281 1.671 ( -1.191 -2.074 -2.426) 3.407 1.728 ( 2.394 -2.618 -0.040) 3.548 1.825 ( -0.947 -0.681 0.348) 1.217 1.959 ( 4.483 -6.785 -1.001) 8.194 2.083 ( 0.039 -6.182 0.271) 6.188 2.128 ( -0.034 -3.223 0.152) 3.227 2.294 ( 0.320 0.472 -1.902) 1.986 2.350 ( 4.105 -2.604 -1.952) 5.239 2.462 ( -2.195 -2.681 -0.959) 3.595 2.669 ( 3.818 -3.711 -3.233) 6.229 2.706 ( -0.486 0.202 3.116) 3.160 2.831 ( -2.192 -0.506 1.451) 2.677 2.955 ( -2.635 0.239 4.859) 5.533 3.523 ( 0.375 -3.802 -1.050) 3.962 4.592 ( 3.964 28.525 -0.399) 28.802 4.945 ( -2.606 -17.340 -4.376) 18.072 5.806 ( -1.677 10.843 1.601) 11.088 9.078 ( 0.420 4.719 0.057) 4.738 9.547 ( -1.779 1.849 2.496) 3.579 9.750 ( 0.307 -3.625 1.567) 3.961 9.871 ( -1.859 -3.694 3.065) 5.148 10.297 ( -1.119 -2.225 -2.564) 3.574 10.581 ( -0.527 4.034 -2.427) 4.738 ======================= Grid point 194 (81/242) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -0.798 -2.496 0.444) 2.658 0.917 ( -2.529 0.672 -2.347) 3.515 1.092 ( -0.613 -0.390 3.620) 3.693 1.232 ( -0.698 -1.694 0.028) 1.832 1.301 ( -0.236 -4.174 -2.932) 5.107 1.372 ( -1.067 -5.083 0.494) 5.218 1.520 ( -2.411 -6.883 -1.381) 7.423 1.696 ( 3.894 0.077 -1.082) 4.043 1.740 ( 1.172 2.385 -0.657) 2.738 1.820 ( -2.452 -0.209 1.570) 2.919 2.054 ( 4.283 -1.662 -6.077) 7.618 2.174 ( 1.401 -3.435 1.750) 4.102 2.240 ( 0.069 -3.744 -0.432) 3.769 2.284 ( -1.884 -2.653 0.522) 3.295 2.380 ( 5.475 1.775 -2.792) 6.396 2.493 ( -2.810 -2.804 0.002) 3.970 2.639 ( 0.766 2.330 -1.595) 2.926 2.732 ( 0.732 1.135 -0.891) 1.618 2.839 ( -2.069 0.244 3.525) 4.095 3.033 ( -2.783 -7.309 7.041) 10.524 3.613 ( 0.858 -5.200 -2.094) 5.671 4.011 ( 1.283 30.190 -0.402) 30.220 5.216 ( -0.550 -12.012 -3.086) 12.415 5.641 ( -0.921 5.995 0.198) 6.069 8.982 ( 0.438 4.943 -0.687) 5.010 9.450 ( -1.490 5.766 3.743) 7.034 9.821 ( 0.496 -0.107 2.239) 2.295 9.930 ( -2.745 -4.645 3.322) 6.336 10.333 ( 0.049 -2.407 -2.882) 3.755 10.555 ( -0.355 -1.232 -3.694) 3.910 ======================= Grid point 195 (82/242) ======================= q-point: (-0.33 -0.75 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.004 -0.702 0.272) 0.752 0.922 ( 0.313 -1.933 -1.330) 2.368 1.104 ( -1.528 -2.117 0.058) 2.611 1.267 ( -0.263 -1.822 2.070) 2.770 1.351 ( -0.188 -2.364 -2.945) 3.781 1.474 ( -0.134 -3.727 1.688) 4.093 1.601 ( -0.302 -2.059 -2.332) 3.126 1.667 ( 0.909 2.636 -1.015) 2.968 1.705 ( 0.677 0.439 -1.595) 1.787 1.823 ( -0.999 0.039 2.783) 2.957 2.061 ( 4.670 0.693 -10.308) 11.337 2.199 ( 1.453 4.651 0.634) 4.914 2.236 ( -1.473 -1.330 1.415) 2.438 2.353 ( 2.537 1.409 0.176) 2.908 2.386 ( -1.624 -4.767 0.703) 5.085 2.543 ( -0.247 -2.515 -0.142) 2.531 2.602 ( 0.658 1.445 -1.278) 2.038 2.696 ( -0.297 1.487 -1.648) 2.239 2.832 ( -2.063 0.201 4.874) 5.296 3.162 ( -2.505 -4.832 6.173) 8.230 3.533 ( 0.367 17.616 -0.284) 17.622 3.706 ( 1.137 -3.692 -2.437) 4.567 5.388 ( 0.534 -6.762 -2.721) 7.309 5.556 ( -0.470 2.585 0.114) 2.630 8.904 ( 0.601 2.834 -1.224) 3.145 9.361 ( -1.455 3.282 3.735) 5.180 9.801 ( -1.351 1.430 3.217) 3.771 10.019 ( -1.178 -3.997 3.645) 5.536 10.370 ( 0.608 -1.850 -3.032) 3.604 10.568 ( 0.404 -0.520 -3.994) 4.048 ======================= Grid point 196 (83/242) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -0.156 -1.015 -0.397) 1.101 0.970 ( -0.433 -3.417 0.729) 3.521 1.177 ( 2.978 -4.358 -0.760) 5.332 1.295 ( 0.411 -0.438 1.245) 1.382 1.384 ( -0.686 -2.420 -2.085) 3.267 1.512 ( -0.498 -1.390 3.142) 3.472 1.595 ( 1.397 0.886 -1.576) 2.285 1.662 ( -0.142 0.432 -1.699) 1.758 1.702 ( -0.242 0.311 -0.964) 1.041 1.798 ( -2.771 1.323 0.866) 3.190 2.037 ( 4.080 1.642 -11.084) 11.924 2.124 ( 3.122 2.686 0.213) 4.124 2.229 ( -1.255 1.746 0.302) 2.171 2.333 ( -0.552 1.306 1.037) 1.757 2.463 ( 0.095 -3.398 1.544) 3.734 2.545 ( -0.484 2.423 -0.219) 2.481 2.585 ( 0.432 0.127 -1.100) 1.189 2.700 ( 0.227 -2.195 -1.249) 2.536 2.830 ( -1.779 0.292 4.595) 4.936 3.206 ( -2.836 0.546 6.198) 6.838 3.359 ( 0.191 0.509 -0.267) 0.605 3.748 ( 1.227 -0.383 -2.526) 2.834 5.467 ( 0.610 -1.766 -2.663) 3.253 5.539 ( 0.258 -0.733 0.660) 1.020 8.880 ( 0.648 -0.369 -1.419) 1.603 9.331 ( -1.532 -0.165 3.362) 3.698 9.783 ( -1.761 0.324 3.193) 3.660 10.083 ( -1.127 -2.287 3.891) 4.652 10.389 ( 0.720 -0.424 -3.426) 3.527 10.553 ( 1.512 1.594 -2.277) 3.164 ======================= Grid point 197 (84/242) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -1.007 -0.900 -1.554) 2.059 1.027 ( -1.934 -1.899 1.618) 3.156 1.247 ( 0.272 -0.898 -1.617) 1.870 1.301 ( 2.009 1.104 0.499) 2.346 1.425 ( -0.136 -2.036 -1.746) 2.686 1.531 ( -2.047 1.400 2.021) 3.199 1.617 ( -0.137 -1.546 2.370) 2.833 1.624 ( 3.201 1.287 0.708) 3.522 1.642 ( -0.729 2.767 -1.851) 3.408 1.785 ( -0.796 0.841 1.833) 2.168 2.014 ( 5.028 0.081 -7.064) 8.671 2.105 ( 0.288 2.990 -0.385) 3.029 2.182 ( 0.474 -0.115 -7.240) 7.257 2.307 ( -0.475 1.195 1.120) 1.705 2.463 ( -0.945 4.991 -1.073) 5.192 2.527 ( 0.327 -2.518 1.788) 3.106 2.600 ( 0.821 -1.222 -0.239) 1.492 2.739 ( 0.298 -1.388 -1.350) 1.959 2.825 ( -1.914 0.244 4.669) 5.052 3.147 ( -3.169 5.175 6.579) 8.951 3.503 ( 0.373 -14.650 0.002) 14.655 3.724 ( 1.085 2.300 -2.630) 3.658 5.464 ( 0.451 1.717 -2.909) 3.408 5.573 ( 0.170 -2.298 1.140) 2.571 8.915 ( 0.369 -3.075 -1.211) 3.326 9.367 ( -1.653 -3.501 2.952) 4.869 9.785 ( -1.639 -0.662 2.398) 2.979 10.109 ( -2.403 -0.257 2.379) 3.392 10.374 ( 1.429 1.545 -3.011) 3.673 10.522 ( 2.373 2.294 1.145) 3.493 ======================= Grid point 198 (85/242) ======================= q-point: (-0.08 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -0.424 2.678 -0.601) 2.777 1.034 ( -1.894 -0.267 0.043) 1.913 1.168 ( -6.525 8.113 -0.228) 10.414 1.237 ( 1.024 4.426 -1.440) 4.766 1.444 ( 2.802 0.787 -2.204) 3.651 1.480 ( -4.271 1.818 3.544) 5.840 1.542 ( -1.491 4.590 -1.668) 5.106 1.676 ( 5.694 -1.234 2.711) 6.426 1.684 ( 0.713 -1.895 2.016) 2.857 1.755 ( 1.705 1.804 3.273) 4.108 2.000 ( -1.178 5.626 -0.097) 5.749 2.044 ( 4.406 -0.956 -4.516) 6.382 2.200 ( 1.530 -1.570 -8.776) 9.046 2.278 ( -0.433 3.098 -0.053) 3.128 2.362 ( -0.171 3.227 -2.370) 4.007 2.555 ( -0.082 0.636 1.720) 1.836 2.633 ( 1.178 -1.851 -1.374) 2.588 2.733 ( -0.149 2.009 -1.401) 2.454 2.829 ( -1.479 -0.457 4.399) 4.664 3.034 ( -3.572 5.227 6.559) 9.116 3.620 ( 0.966 4.480 -1.736) 4.901 3.946 ( 0.993 -25.859 -0.366) 25.880 5.372 ( -0.435 7.215 -5.072) 8.830 5.649 ( -0.368 -5.635 2.340) 6.112 8.987 ( -0.019 -4.294 -0.570) 4.331 9.459 ( -1.625 -6.075 2.679) 6.836 9.796 ( -1.380 -0.449 0.760) 1.638 10.062 ( -3.903 3.761 -1.053) 5.522 10.353 ( 2.427 0.849 -0.034) 2.571 10.499 ( 2.095 1.881 3.886) 4.799 ======================= Grid point 203 (86/242) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 10.480 -0.000 4.006) 11.219 0.806 ( 8.283 -0.000 4.850) 9.598 0.971 ( 0.472 -0.000 -3.808) 3.837 0.991 ( 5.803 -0.000 -3.293) 6.672 1.305 ( -6.138 0.000 -2.015) 6.460 1.309 ( -4.923 0.000 1.145) 5.054 1.329 ( -2.337 0.000 1.804) 2.952 1.476 ( 2.797 -0.000 -0.056) 2.797 1.515 ( -4.074 0.000 -2.034) 4.554 1.590 ( 6.275 -0.000 7.466) 9.753 1.835 ( -2.268 0.000 0.180) 2.275 1.852 ( 1.018 -0.000 0.011) 1.018 2.026 ( 0.804 -0.000 0.564) 0.982 2.129 ( 0.909 -0.000 0.252) 0.943 2.220 ( -11.552 0.000 -2.553) 11.831 2.252 ( 1.174 -0.000 -0.168) 1.186 2.441 ( 1.361 -0.000 -1.320) 1.896 2.844 ( -0.285 0.000 1.736) 1.759 2.899 ( -0.501 0.000 -1.432) 1.517 3.254 ( 5.813 -0.000 -7.294) 9.327 3.534 ( -1.057 0.000 3.478) 3.635 3.595 ( 0.113 -0.000 0.073) 0.135 5.477 ( 4.173 -0.000 -3.924) 5.728 6.491 ( -9.299 0.000 12.344) 15.455 9.066 ( 0.230 -0.000 -0.419) 0.478 9.143 ( -0.086 0.000 0.386) 0.395 9.557 ( -0.462 0.000 3.015) 3.050 9.962 ( 0.953 -0.000 2.505) 2.680 10.233 ( -2.333 0.000 -0.844) 2.481 11.046 ( 2.399 -0.000 -5.644) 6.133 ======================= Grid point 204 (87/242) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 7.412 2.038 3.593) 8.485 0.902 ( 3.764 -4.112 2.947) 6.305 0.996 ( 3.472 -2.565 -4.622) 6.325 1.039 ( 4.478 -0.946 0.896) 4.663 1.202 ( -4.310 2.963 1.619) 5.475 1.295 ( -4.086 -1.287 -5.006) 6.589 1.355 ( -2.656 1.310 1.140) 3.173 1.482 ( -0.518 -7.037 0.671) 7.087 1.577 ( -4.903 -3.543 -1.707) 6.285 1.678 ( 6.971 -2.599 5.322) 9.148 1.784 ( -2.481 0.047 1.158) 2.739 1.928 ( 1.982 -2.841 -1.366) 3.723 2.067 ( -0.653 -4.957 -0.983) 5.095 2.129 ( 1.116 -0.288 -0.664) 1.330 2.231 ( -5.751 -5.639 1.696) 8.231 2.309 ( -0.644 -5.223 -2.000) 5.630 2.446 ( 1.799 -0.291 0.638) 1.931 2.822 ( -0.630 2.490 1.443) 2.946 2.877 ( -0.079 1.469 -1.514) 2.111 3.117 ( 3.014 8.635 -3.716) 9.872 3.474 ( -0.570 0.807 2.409) 2.603 3.991 ( 0.071 -26.922 -2.697) 27.057 5.390 ( 3.516 10.158 -3.146) 11.200 6.344 ( -6.339 12.287 8.370) 16.162 9.160 ( 0.232 -0.875 0.452) 1.012 9.183 ( -1.062 -10.853 0.037) 10.905 9.609 ( -0.764 -5.112 2.563) 5.770 9.926 ( 0.371 4.627 2.960) 5.505 10.228 ( -1.768 -1.007 -1.530) 2.546 10.945 ( 1.645 9.449 -4.623) 10.647 ======================= Grid point 205 (88/242) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 1.353 0.628 2.493) 2.905 0.975 ( -2.643 0.270 -0.121) 2.659 1.042 ( 1.204 -4.490 -3.500) 5.819 1.101 ( 5.581 -1.890 3.216) 6.713 1.185 ( 2.871 -0.758 1.693) 3.418 1.276 ( -4.868 -1.964 -2.967) 6.030 1.340 ( -3.705 0.240 0.223) 3.719 1.589 ( -3.017 -3.728 -1.435) 5.006 1.643 ( 0.841 -6.736 -0.107) 6.790 1.802 ( 2.517 -3.834 2.229) 5.099 1.825 ( -0.582 -6.290 -0.579) 6.344 1.975 ( 0.087 -3.046 -0.424) 3.077 2.109 ( 0.938 -0.478 -0.432) 1.138 2.223 ( 0.100 -6.451 -2.360) 6.870 2.321 ( 0.396 -3.278 1.559) 3.652 2.388 ( -0.348 -3.610 -2.701) 4.522 2.533 ( 1.992 -7.856 2.437) 8.463 2.760 ( -0.348 3.456 0.512) 3.511 2.841 ( -1.090 1.701 0.218) 2.032 3.000 ( 0.024 4.182 -0.472) 4.209 3.478 ( -0.185 -1.007 0.808) 1.304 4.498 ( 0.639 -24.969 -3.315) 25.197 5.108 ( 2.598 20.414 -1.960) 20.672 6.054 ( -3.475 15.041 3.672) 15.868 9.152 ( 0.344 2.301 0.556) 2.392 9.414 ( -1.198 -12.148 1.032) 12.251 9.736 ( -0.841 -5.817 1.514) 6.069 9.828 ( -0.651 4.506 4.110) 6.133 10.244 ( -0.855 -1.876 -2.439) 3.193 10.725 ( 0.021 11.189 -4.005) 11.885 ======================= Grid point 206 (89/242) ======================= q-point: (-0.42 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -1.880 -2.039 0.702) 2.861 0.920 ( -3.536 1.741 -1.971) 4.406 1.101 ( -1.054 -0.287 -0.542) 1.219 1.187 ( 3.256 -3.885 -0.774) 5.128 1.226 ( 3.553 -1.713 2.407) 4.621 1.301 ( -3.403 -2.266 -0.710) 4.150 1.365 ( -1.915 -6.360 -0.026) 6.642 1.666 ( 1.714 -4.159 -1.219) 4.660 1.751 ( 1.493 -3.188 0.506) 3.556 1.813 ( -1.349 0.809 0.107) 1.576 1.991 ( 3.099 -6.294 -2.615) 7.487 2.069 ( -2.651 -7.827 0.205) 8.266 2.140 ( 1.504 -2.340 1.027) 2.965 2.277 ( -0.908 -0.317 -3.103) 3.249 2.386 ( 3.139 -3.214 0.074) 4.493 2.440 ( -0.432 -1.566 -1.357) 2.117 2.685 ( 2.430 0.734 -3.701) 4.488 2.722 ( 0.191 -3.785 3.160) 4.935 2.813 ( -2.428 -0.422 1.488) 2.879 2.952 ( -2.555 -0.057 5.060) 5.669 3.523 ( 0.475 -3.701 -1.003) 3.864 4.620 ( 1.336 30.198 -0.776) 30.237 4.916 ( 1.237 -18.449 -3.111) 18.750 5.793 ( -1.742 10.589 0.747) 10.757 9.082 ( 0.331 4.885 0.141) 4.899 9.546 ( -1.041 1.398 3.068) 3.529 9.764 ( 0.663 -4.115 1.966) 4.609 9.866 ( -2.331 -2.842 3.631) 5.167 10.278 ( 0.272 -2.462 -3.042) 3.923 10.554 ( -1.080 4.110 -4.839) 6.440 ======================= Grid point 207 (90/242) ======================= q-point: (-0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 0.275 -4.004 -0.753) 4.084 0.885 ( -1.036 -0.088 -1.483) 1.811 1.076 ( -3.595 0.508 0.656) 3.689 1.236 ( 0.983 -1.939 -0.387) 2.208 1.301 ( 1.933 -2.307 -1.829) 3.522 1.379 ( 1.510 -5.645 2.520) 6.364 1.490 ( -1.485 -6.777 -1.606) 7.122 1.722 ( 2.481 -0.106 -2.314) 3.394 1.752 ( 0.426 3.668 -0.160) 3.696 1.813 ( -0.716 -1.543 3.107) 3.542 2.062 ( 3.120 -1.353 -6.726) 7.537 2.183 ( -1.185 -3.632 1.549) 4.122 2.241 ( 0.362 -3.092 -0.564) 3.164 2.262 ( -2.145 -3.581 0.191) 4.179 2.412 ( 2.474 2.688 -2.765) 4.582 2.477 ( 0.195 -3.766 0.405) 3.793 2.639 ( 0.765 2.309 -1.539) 2.878 2.734 ( 0.449 2.191 -0.736) 2.355 2.831 ( -2.390 -0.502 3.231) 4.050 3.039 ( -2.880 -7.351 7.227) 10.703 3.613 ( 1.053 -5.216 -2.054) 5.704 4.017 ( 0.194 30.445 -0.389) 30.448 5.208 ( 1.924 -11.896 -2.871) 12.388 5.631 ( -0.903 5.765 -0.248) 5.841 8.984 ( 0.521 5.057 -0.594) 5.118 9.454 ( -1.386 5.772 4.053) 7.187 9.834 ( -0.272 1.069 2.225) 2.484 9.927 ( -1.313 -5.677 4.304) 7.244 10.323 ( 0.987 -2.504 -3.220) 4.197 10.525 ( -0.860 -1.834 -5.606) 5.960 ======================= Grid point 208 (91/242) ======================= q-point: (-0.25 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 0.543 -0.849 1.062) 1.464 0.931 ( 2.082 -1.627 -0.687) 2.730 1.092 ( -0.302 -4.429 -0.673) 4.490 1.278 ( -0.085 -1.879 1.390) 2.339 1.340 ( 1.351 -1.541 -3.113) 3.727 1.484 ( 0.291 -3.242 1.687) 3.666 1.586 ( -0.349 -3.708 -1.610) 4.058 1.666 ( 0.113 3.541 -1.378) 3.802 1.703 ( 0.667 1.346 -1.613) 2.204 1.826 ( -1.222 1.313 2.363) 2.967 2.058 ( 4.224 1.230 -10.170) 11.081 2.202 ( -0.882 2.141 1.464) 2.740 2.234 ( -0.926 -0.737 1.188) 1.677 2.358 ( -0.714 1.000 0.331) 1.272 2.388 ( 0.944 -4.335 0.067) 4.437 2.543 ( 0.286 -2.207 -0.481) 2.276 2.602 ( 0.571 1.561 -1.396) 2.171 2.688 ( 0.173 1.573 -0.828) 1.786 2.833 ( -2.132 -0.090 4.492) 4.973 3.165 ( -2.807 -4.735 6.257) 8.333 3.533 ( -0.035 17.586 -0.283) 17.589 3.708 ( 1.339 -3.635 -2.408) 4.561 5.387 ( 1.806 -6.488 -2.652) 7.238 5.552 ( -0.387 2.166 -0.150) 2.206 8.905 ( 0.728 2.905 -1.169) 3.215 9.365 ( -1.419 3.417 3.868) 5.352 9.801 ( -1.689 1.595 3.206) 3.959 10.031 ( -0.338 -3.888 4.227) 5.753 10.363 ( 1.070 -1.767 -3.219) 3.825 10.548 ( 0.063 -1.598 -4.913) 5.167 ======================= Grid point 209 (92/242) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.074 -0.119 0.069) 0.157 0.969 ( -0.337 -2.449 0.778) 2.591 1.204 ( 2.250 -4.439 -0.681) 5.024 1.314 ( 1.404 -1.068 1.779) 2.506 1.369 ( 0.309 -2.253 -2.911) 3.693 1.517 ( -1.375 -1.154 2.628) 3.182 1.602 ( 1.322 0.105 -1.699) 2.155 1.653 ( -0.104 -0.293 -1.058) 1.103 1.691 ( -0.642 0.914 -1.188) 1.630 1.768 ( -2.843 1.732 0.388) 3.352 2.030 ( 4.602 0.837 -10.384) 11.389 2.163 ( 3.012 2.584 1.305) 4.177 2.215 ( -1.078 2.479 -0.843) 2.831 2.328 ( -1.410 1.202 1.290) 2.257 2.476 ( 0.933 -3.552 1.099) 3.833 2.531 ( -1.116 2.708 -1.344) 3.223 2.588 ( 0.473 -0.195 0.001) 0.511 2.698 ( 0.389 -2.061 -0.827) 2.255 2.832 ( -1.884 0.233 4.270) 4.673 3.206 ( -2.885 0.605 6.226) 6.888 3.360 ( 0.156 0.406 -0.295) 0.525 3.749 ( 1.220 -0.300 -2.540) 2.834 5.463 ( 0.832 -1.403 -2.010) 2.588 5.543 ( 0.085 -1.073 0.006) 1.076 8.880 ( 0.663 -0.255 -1.417) 1.585 9.332 ( -1.526 0.043 3.359) 3.689 9.781 ( -1.730 0.387 3.250) 3.702 10.089 ( -1.333 -1.530 3.658) 4.183 10.382 ( 1.080 -0.393 -2.983) 3.197 10.557 ( 1.308 0.047 -2.544) 2.861 ======================= Grid point 210 (93/242) ======================= q-point: (-0.08 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -1.042 -0.282 -0.911) 1.413 1.010 ( -2.432 -1.630 1.040) 3.107 1.229 ( -1.861 1.794 -2.053) 3.301 1.321 ( 0.458 2.543 1.486) 2.981 1.412 ( -0.178 -2.584 -2.302) 3.466 1.517 ( -2.501 1.642 2.419) 3.847 1.617 ( -0.720 3.892 -1.185) 4.132 1.625 ( -0.057 -2.078 0.796) 2.226 1.683 ( 4.544 -2.308 2.140) 5.528 1.773 ( -1.508 -1.603 -0.600) 2.281 2.038 ( 5.555 -0.661 -6.338) 8.454 2.117 ( 0.796 5.514 0.583) 5.601 2.159 ( 2.604 -0.103 -6.820) 7.301 2.306 ( -0.757 0.767 0.799) 1.341 2.445 ( -1.223 4.944 -0.950) 5.181 2.539 ( 0.366 -2.164 1.236) 2.519 2.609 ( 0.751 -1.289 0.052) 1.493 2.733 ( -0.027 -1.269 -1.440) 1.920 2.827 ( -2.111 0.189 4.689) 5.146 3.146 ( -2.927 5.274 6.492) 8.862 3.509 ( 0.628 -15.163 -0.071) 15.176 3.721 ( 0.879 2.570 -2.648) 3.793 5.453 ( -0.101 2.444 -2.365) 3.402 5.576 ( -0.378 -2.508 0.658) 2.620 8.912 ( 0.320 -2.981 -1.257) 3.251 9.364 ( -1.648 -3.375 2.935) 4.767 9.782 ( -1.340 -0.495 2.656) 3.016 10.088 ( -3.063 1.180 1.536) 3.624 10.378 ( 1.435 0.708 -1.756) 2.375 10.550 ( 1.968 1.223 0.522) 2.375 ======================= Grid point 216 (94/242) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 4.538 -0.000 1.197) 4.693 0.889 ( 3.308 -0.000 2.198) 3.972 1.020 ( 9.610 -0.000 1.211) 9.686 1.049 ( 6.965 -0.000 -1.255) 7.077 1.176 ( -12.127 0.000 -4.151) 12.818 1.258 ( -5.672 0.000 1.450) 5.855 1.330 ( -0.374 0.000 0.843) 0.922 1.469 ( -2.071 0.000 -2.157) 2.990 1.474 ( -0.587 0.000 -0.063) 0.590 1.723 ( 7.225 -0.000 5.493) 9.076 1.817 ( -1.195 0.000 0.172) 1.208 1.850 ( -1.037 0.000 -2.647) 2.843 2.033 ( 0.193 -0.000 0.224) 0.296 2.076 ( -8.620 0.000 -3.644) 9.359 2.155 ( 0.604 -0.000 4.960) 4.997 2.261 ( 0.699 -0.000 -0.011) 0.700 2.459 ( 1.949 -0.000 0.888) 2.142 2.845 ( -0.833 0.000 1.090) 1.372 2.889 ( 0.179 -0.000 -2.203) 2.210 3.280 ( 5.505 -0.000 -6.985) 8.893 3.535 ( -2.101 0.000 3.527) 4.106 3.596 ( 0.079 -0.000 0.143) 0.163 5.495 ( 2.444 -0.000 -3.283) 4.093 6.455 ( -7.427 0.000 8.942) 11.624 9.067 ( 0.226 -0.000 -0.389) 0.450 9.144 ( -0.130 0.000 0.370) 0.392 9.564 ( -0.785 0.000 2.718) 2.829 9.981 ( -0.073 0.000 2.889) 2.890 10.207 ( -1.127 0.000 -1.483) 1.863 11.043 ( 2.201 -0.000 -5.410) 5.841 ======================= Grid point 217 (95/242) ======================= q-point: (-0.50 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 1.358 2.934 0.512) 3.274 0.934 ( 0.727 -2.623 2.475) 3.679 1.021 ( 1.532 1.436 -3.371) 3.971 1.095 ( 3.692 -1.602 1.511) 4.299 1.146 ( -4.823 -1.215 1.642) 5.237 1.259 ( 1.957 -1.734 -3.329) 4.233 1.329 ( -1.761 0.656 0.338) 1.910 1.498 ( 2.358 -5.709 1.108) 6.275 1.525 ( -3.457 -3.203 -0.668) 4.760 1.725 ( -4.138 0.231 -1.641) 4.457 1.762 ( -0.311 -1.919 2.652) 3.288 1.952 ( 3.535 -1.928 -1.635) 4.346 2.044 ( -2.085 -5.482 -1.757) 6.122 2.128 ( -0.328 -4.022 -1.668) 4.366 2.207 ( -0.333 -4.947 5.366) 7.307 2.307 ( 0.782 -3.978 -0.835) 4.139 2.477 ( 2.527 -0.846 2.513) 3.663 2.819 ( -1.001 2.417 0.741) 2.719 2.869 ( 0.064 1.440 -1.775) 2.287 3.127 ( 2.162 9.410 -3.715) 10.345 3.477 ( -1.075 0.735 2.359) 2.694 3.987 ( 1.304 -26.553 -1.930) 26.655 5.404 ( 2.007 9.763 -2.811) 10.357 6.315 ( -5.733 11.730 6.212) 14.458 9.163 ( 0.009 -1.126 0.429) 1.205 9.177 ( -0.130 -10.462 0.364) 10.469 9.612 ( -1.056 -4.865 2.431) 5.540 9.939 ( -0.897 4.629 3.106) 5.646 10.209 ( -0.141 -0.940 -1.906) 2.130 10.937 ( 1.403 9.936 -5.164) 11.285 ======================= Grid point 218 (96/242) ======================= q-point: (-0.42 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -4.014 1.684 0.460) 4.377 0.932 ( -3.946 2.123 -3.763) 5.851 1.045 ( 0.603 -4.038 -0.121) 4.084 1.162 ( 2.857 -1.835 1.817) 3.851 1.187 ( -2.688 -4.267 0.837) 5.112 1.257 ( 2.582 0.605 -0.814) 2.774 1.325 ( 1.948 0.607 1.130) 2.332 1.573 ( 0.486 -5.102 -0.379) 5.139 1.653 ( 1.147 -6.695 -0.052) 6.793 1.793 ( -3.697 -4.901 -0.068) 6.140 1.825 ( -0.224 -6.989 -0.619) 7.020 1.971 ( -0.560 -1.391 -0.589) 1.611 2.124 ( 1.922 -1.916 0.091) 2.715 2.209 ( 0.342 -4.591 -3.631) 5.864 2.328 ( -0.729 -4.929 2.708) 5.671 2.388 ( 1.727 -3.799 -1.062) 4.306 2.569 ( 2.526 -6.828 2.225) 7.613 2.757 ( -0.532 3.309 0.059) 3.352 2.831 ( -0.998 1.870 0.610) 2.205 2.995 ( -0.331 4.403 -0.606) 4.457 3.479 ( -0.416 -0.977 0.769) 1.312 4.501 ( 2.592 -24.598 -2.702) 24.882 5.122 ( 1.753 20.189 -1.592) 20.328 6.032 ( -3.459 14.635 2.687) 15.276 9.157 ( -0.002 2.253 0.636) 2.341 9.418 ( 0.627 -12.383 1.784) 12.526 9.734 ( -0.950 -6.034 1.639) 6.325 9.835 ( -1.879 4.673 3.943) 6.397 10.232 ( 0.938 -1.814 -2.562) 3.276 10.699 ( -0.428 11.946 -5.544) 13.176 ======================= Grid point 219 (97/242) ======================= q-point: (-0.33 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -3.271 -3.106 -1.197) 4.667 0.873 ( -2.954 0.334 -2.811) 4.092 1.078 ( -1.895 0.791 -0.333) 2.080 1.203 ( 2.616 -1.791 -2.635) 4.122 1.254 ( -2.542 -3.928 0.222) 4.684 1.314 ( 5.079 -3.566 3.941) 7.352 1.373 ( 2.605 -3.699 1.400) 4.736 1.686 ( 2.553 -4.637 -0.868) 5.365 1.761 ( -0.117 -4.231 0.179) 4.237 1.796 ( -1.815 1.299 -0.193) 2.240 2.000 ( 1.504 -5.125 -3.771) 6.538 2.033 ( -3.973 -9.439 0.310) 10.246 2.165 ( 1.740 -1.510 1.689) 2.857 2.250 ( -0.631 -0.824 -3.558) 3.706 2.408 ( 0.122 -3.666 1.783) 4.078 2.445 ( 2.907 -0.460 -2.362) 3.774 2.688 ( 1.385 2.297 -2.773) 3.858 2.732 ( -0.488 -5.498 0.848) 5.585 2.798 ( -1.896 0.680 2.181) 2.969 2.953 ( -2.231 -0.712 5.618) 6.087 3.523 ( 0.534 -3.750 -1.028) 3.925 4.610 ( -2.174 28.042 -1.111) 28.148 4.944 ( 6.253 -15.665 -2.343) 17.029 5.776 ( -1.735 10.260 0.311) 10.410 9.086 ( 0.136 4.909 0.283) 4.919 9.555 ( -0.393 2.044 3.601) 4.160 9.784 ( 1.266 -5.238 1.990) 5.744 9.858 ( -2.640 -2.581 4.140) 5.547 10.274 ( 1.806 -2.419 -3.046) 4.288 10.511 ( -1.540 4.262 -6.747) 8.128 ======================= Grid point 220 (98/242) ======================= q-point: (-0.25 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 2.045 -5.016 -2.016) 5.779 0.885 ( 0.859 -3.115 0.780) 3.324 1.040 ( -2.726 0.683 -0.349) 2.832 1.239 ( 1.401 -1.658 -3.055) 3.748 1.312 ( 1.040 -2.440 -0.403) 2.683 1.429 ( 4.152 -3.600 3.757) 6.657 1.475 ( -0.304 -5.958 -0.652) 6.001 1.731 ( 1.563 1.283 -3.277) 3.851 1.742 ( -1.621 2.659 0.679) 3.188 1.825 ( -0.299 -1.961 1.820) 2.691 2.053 ( 1.397 -1.876 -6.693) 7.090 2.168 ( -2.938 -3.625 1.363) 4.861 2.237 ( -0.322 0.328 -0.776) 0.902 2.252 ( 0.160 -6.975 0.873) 7.031 2.413 ( 0.574 2.394 -2.002) 3.173 2.493 ( 1.952 -3.030 -0.512) 3.641 2.639 ( 0.656 2.281 -1.615) 2.871 2.735 ( 0.393 2.589 -0.514) 2.668 2.820 ( -2.510 -1.325 3.166) 4.252 3.043 ( -3.091 -7.009 7.403) 10.653 3.615 ( 1.140 -5.202 -2.068) 5.713 4.011 ( -0.940 29.957 -0.416) 29.975 5.229 ( 4.505 -10.898 -2.772) 12.114 5.620 ( -0.820 5.481 -0.434) 5.559 8.987 ( 0.537 5.081 -0.479) 5.132 9.460 ( -1.366 5.854 4.167) 7.314 9.837 ( -1.294 1.811 2.556) 3.389 9.946 ( 0.666 -6.180 4.728) 7.810 10.323 ( 1.938 -2.254 -3.124) 4.312 10.481 ( -1.288 -2.609 -6.983) 7.565 ======================= Grid point 221 (99/242) ======================= q-point: (-0.17 -0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 1.416 -0.376 2.739) 3.106 0.952 ( 1.880 -0.095 -0.242) 1.898 1.096 ( 2.467 -7.223 -2.049) 7.902 1.273 ( -0.495 -2.524 -1.144) 2.815 1.351 ( 2.620 -0.790 -1.879) 3.319 1.495 ( 0.198 -1.434 1.710) 2.240 1.581 ( 0.150 -4.250 -0.148) 4.256 1.657 ( -0.253 3.239 -1.988) 3.809 1.704 ( 0.699 1.799 -1.454) 2.416 1.815 ( -2.537 2.637 1.446) 3.935 2.050 ( 3.364 1.066 -9.591) 10.220 2.201 ( -1.663 -0.808 2.086) 2.787 2.226 ( -0.662 0.073 1.144) 1.324 2.355 ( -0.287 1.825 0.147) 1.853 2.396 ( 0.846 -5.266 -0.443) 5.351 2.540 ( -0.344 -0.984 -0.883) 1.366 2.602 ( 0.653 1.464 -1.213) 2.010 2.692 ( 0.924 1.411 -0.154) 1.694 2.831 ( -2.189 -0.345 4.126) 4.683 3.164 ( -3.143 -4.722 6.396) 8.549 3.529 ( -0.456 17.141 -0.333) 17.150 3.711 ( 1.484 -3.407 -2.443) 4.448 5.401 ( 3.015 -5.593 -2.452) 6.811 5.547 ( -0.331 1.830 -0.354) 1.893 8.908 ( 0.806 3.001 -1.114) 3.301 9.369 ( -1.449 3.565 3.858) 5.449 9.798 ( -1.740 1.592 3.337) 4.086 10.051 ( 0.099 -3.161 4.304) 5.341 10.362 ( 1.690 -1.529 -2.847) 3.647 10.521 ( -0.190 -2.932 -5.524) 6.257 ======================= Grid point 222 (100/242) ======================= q-point: (-0.08 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.092 0.935 0.358) 1.005 0.971 ( -0.285 -0.989 1.068) 1.483 1.208 ( -0.171 -2.918 -2.337) 3.742 1.332 ( -0.086 -2.352 1.217) 2.649 1.371 ( 3.100 -0.795 -2.751) 4.220 1.509 ( -2.130 -0.711 2.345) 3.246 1.603 ( 0.497 -0.191 -2.017) 2.086 1.653 ( 0.711 -1.166 0.087) 1.368 1.681 ( 0.005 0.821 -0.859) 1.188 1.749 ( -1.193 1.607 0.990) 2.233 2.032 ( 4.745 -0.244 -9.321) 10.463 2.186 ( -0.335 2.229 -2.000) 3.013 2.210 ( 1.769 2.363 1.465) 3.296 2.316 ( -1.912 1.001 0.970) 2.366 2.491 ( 1.054 -3.520 0.706) 3.742 2.513 ( -1.179 2.692 -0.616) 3.003 2.593 ( 0.463 -0.416 -0.219) 0.659 2.700 ( 0.548 -1.357 -0.539) 1.560 2.831 ( -2.090 0.165 4.007) 4.522 3.206 ( -2.928 0.503 6.237) 6.909 3.360 ( 0.115 0.192 -0.350) 0.415 3.749 ( 1.183 -0.138 -2.581) 2.843 5.466 ( 1.164 -0.702 -1.452) 1.989 5.541 ( -0.203 -1.085 -0.517) 1.219 8.880 ( 0.671 -0.074 -1.410) 1.563 9.332 ( -1.545 0.239 3.342) 3.690 9.779 ( -1.549 0.346 3.446) 3.794 10.089 ( -1.734 -0.295 3.041) 3.513 10.384 ( 1.548 -0.414 -2.130) 2.665 10.555 ( 1.071 -1.425 -2.967) 3.461 ======================= Grid point 229 (101/242) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -3.730 0.000 0.449) 3.757 0.908 ( 4.154 -0.000 2.271) 4.734 1.014 ( -13.206 0.000 -4.924) 14.094 1.116 ( 5.386 -0.000 -0.278) 5.393 1.150 ( 11.004 -0.000 1.745) 11.141 1.212 ( -3.465 0.000 1.783) 3.897 1.333 ( 0.979 -0.000 0.955) 1.367 1.454 ( 1.246 -0.000 -1.878) 2.254 1.476 ( 0.389 -0.000 0.743) 0.839 1.677 ( -15.474 0.000 -1.461) 15.543 1.812 ( 0.174 -0.000 0.152) 0.231 1.872 ( 7.075 -0.000 -3.035) 7.698 2.013 ( -2.636 0.000 0.486) 2.680 2.032 ( -0.565 0.000 -0.048) 0.567 2.209 ( 4.278 -0.000 4.785) 6.418 2.266 ( 0.168 -0.000 0.108) 0.199 2.493 ( 2.871 -0.000 2.992) 4.146 2.837 ( -1.288 0.000 0.338) 1.331 2.880 ( 0.281 -0.000 -2.474) 2.490 3.301 ( 4.698 -0.000 -6.659) 8.149 3.525 ( -3.022 0.000 3.517) 4.637 3.598 ( 0.014 -0.000 0.194) 0.194 5.498 ( 1.167 -0.000 -3.369) 3.565 6.419 ( -6.682 0.000 7.272) 9.876 9.067 ( 0.214 -0.000 -0.369) 0.427 9.144 ( -0.188 0.000 0.362) 0.408 9.568 ( -1.017 0.000 2.878) 3.052 9.986 ( -1.668 0.000 2.529) 3.029 10.197 ( 0.746 -0.000 -1.406) 1.591 11.040 ( 2.323 -0.000 -5.524) 5.992 ======================= Grid point 230 (102/242) ======================= q-point: (-0.42 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -7.765 3.793 -0.074) 8.642 0.929 ( -7.670 0.963 -8.183) 11.257 0.966 ( -1.065 -3.062 5.098) 6.042 1.147 ( 0.426 -1.414 2.786) 3.153 1.156 ( 6.538 0.093 0.645) 6.571 1.271 ( 1.162 -0.248 -2.064) 2.382 1.354 ( 6.276 -0.747 1.213) 6.436 1.491 ( -3.562 -2.760 0.269) 4.515 1.537 ( 2.864 -6.260 1.273) 7.001 1.623 ( -9.402 -4.528 -2.423) 10.713 1.773 ( 0.076 0.183 0.610) 0.641 1.973 ( 0.071 1.218 -0.413) 1.288 2.023 ( 1.802 -7.777 -3.271) 8.628 2.118 ( -0.606 -6.175 -0.176) 6.207 2.252 ( 2.638 -1.576 4.104) 5.127 2.312 ( 0.740 -4.055 -0.512) 4.154 2.528 ( 3.962 -1.149 3.763) 5.584 2.809 ( -1.176 2.199 0.049) 2.494 2.861 ( -0.033 1.382 -1.466) 2.015 3.126 ( 0.933 9.985 -3.504) 10.623 3.475 ( -1.480 0.551 2.267) 2.763 4.000 ( 2.832 -27.292 -1.641) 27.488 5.404 ( 0.764 9.332 -3.152) 9.879 6.284 ( -5.370 11.373 5.801) 13.851 9.164 ( -0.269 -1.304 0.440) 1.402 9.184 ( 0.853 -10.913 0.612) 10.964 9.613 ( -1.074 -4.625 2.951) 5.590 9.935 ( -2.300 4.459 2.345) 5.538 10.208 ( 1.637 -0.819 -1.491) 2.361 10.924 ( 1.166 10.891 -5.908) 12.445 ======================= Grid point 231 (103/242) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -8.699 0.573 -0.577) 8.736 0.848 ( -6.274 0.567 -7.128) 9.513 1.044 ( -1.714 -4.073 2.774) 5.218 1.187 ( 1.501 0.058 1.889) 2.414 1.199 ( 4.404 -1.097 -0.651) 4.585 1.275 ( 0.751 -2.674 0.598) 2.841 1.385 ( 5.452 0.414 2.680) 6.089 1.581 ( 0.662 -6.767 -0.276) 6.805 1.666 ( 1.305 -4.600 -1.227) 4.937 1.746 ( -4.329 -8.561 1.045) 9.650 1.807 ( -1.737 -5.780 -1.437) 6.204 1.955 ( -1.300 -0.395 -1.271) 1.861 2.147 ( 2.150 -3.840 -0.259) 4.408 2.199 ( 1.172 -2.428 -3.562) 4.468 2.335 ( -0.651 -4.753 3.322) 5.835 2.405 ( 1.659 -4.623 -0.255) 4.919 2.605 ( 2.504 -4.363 0.725) 5.082 2.750 ( -0.418 3.098 -0.674) 3.198 2.827 ( -0.853 1.732 1.762) 2.614 2.989 ( -0.401 4.080 -0.180) 4.103 3.477 ( -0.594 -1.104 0.684) 1.428 4.527 ( 4.689 -23.282 -2.478) 23.879 5.130 ( 1.216 18.744 -1.865) 18.876 6.008 ( -3.292 14.326 2.857) 14.974 9.158 ( -0.440 2.139 0.760) 2.313 9.446 ( 2.752 -12.768 2.328) 13.267 9.733 ( -0.887 -6.142 2.503) 6.691 9.828 ( -2.584 4.460 3.137) 6.034 10.239 ( 2.384 -1.664 -2.194) 3.642 10.660 ( -1.139 12.866 -6.858) 14.624 ======================= Grid point 232 (104/242) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -1.900 -6.386 -1.731) 6.884 0.827 ( -2.738 -2.455 -3.231) 4.895 1.065 ( -0.566 1.576 0.422) 1.727 1.228 ( 4.625 -0.489 -2.617) 5.336 1.238 ( -1.350 -4.378 2.372) 5.159 1.363 ( 2.226 -4.611 0.385) 5.134 1.434 ( 5.027 -1.342 4.245) 6.715 1.707 ( 1.756 -4.576 -0.208) 4.906 1.747 ( -1.723 -3.706 -1.587) 4.384 1.770 ( -2.480 0.061 -0.954) 2.658 1.973 ( -3.983 -4.164 -1.140) 5.874 2.007 ( 0.319 -10.313 -2.215) 10.553 2.190 ( 1.445 -0.745 0.979) 1.898 2.232 ( 0.233 -1.242 -2.384) 2.698 2.418 ( 0.135 -2.830 2.127) 3.543 2.465 ( 2.782 -0.642 -2.804) 4.002 2.688 ( 0.817 2.775 -2.135) 3.595 2.720 ( -1.521 -6.026 -0.622) 6.246 2.794 ( -1.175 1.538 2.579) 3.224 2.961 ( -1.636 -1.159 6.122) 6.442 3.524 ( 0.549 -3.902 -1.109) 4.094 4.571 ( -3.642 25.330 -1.092) 25.613 5.017 ( 9.130 -12.288 -2.580) 15.525 5.760 ( -1.572 9.981 0.534) 10.118 9.088 ( -0.151 4.783 0.443) 4.805 9.571 ( -0.211 3.644 3.810) 5.277 9.811 ( 2.071 -6.311 0.953) 6.710 9.856 ( -1.834 -3.162 5.836) 6.887 10.285 ( 2.846 -2.232 -2.755) 4.546 10.454 ( -2.155 4.377 -7.976) 9.349 ======================= Grid point 233 (105/242) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 1.002 -4.310 0.781) 4.493 0.913 ( 5.489 -8.861 -1.041) 10.476 1.022 ( -0.375 1.807 0.343) 1.877 1.241 ( 2.180 -0.205 -3.737) 4.331 1.322 ( 0.835 -3.247 0.277) 3.364 1.473 ( 0.195 -5.564 -0.186) 5.571 1.492 ( 3.843 -1.164 3.396) 5.259 1.712 ( -1.641 2.784 -2.131) 3.871 1.739 ( 0.222 1.066 -0.851) 1.382 1.813 ( -2.761 -2.110 0.053) 3.475 2.027 ( -0.225 -3.074 -5.983) 6.730 2.137 ( -3.279 -3.540 0.293) 4.834 2.236 ( 0.492 -0.233 0.218) 0.587 2.270 ( 1.843 -6.337 1.596) 6.790 2.410 ( 0.687 2.771 -2.114) 3.552 2.506 ( 1.099 -2.253 -0.997) 2.698 2.637 ( 0.549 2.213 -1.752) 2.876 2.738 ( 0.441 2.167 -0.365) 2.241 2.811 ( -2.267 -1.863 3.308) 4.421 3.046 ( -3.256 -6.388 7.485) 10.365 3.617 ( 1.070 -5.118 -2.115) 5.640 3.994 ( -1.615 28.900 -0.469) 28.949 5.274 ( 6.269 -9.340 -2.945) 11.628 5.610 ( -0.654 5.249 -0.201) 5.294 8.990 ( 0.461 5.007 -0.374) 5.042 9.465 ( -1.460 5.952 4.035) 7.338 9.835 ( -1.511 1.918 2.902) 3.793 9.986 ( 2.100 -5.574 4.923) 7.727 10.334 ( 2.635 -1.841 -2.529) 4.090 10.429 ( -1.662 -3.601 -7.718) 8.678 ======================= Grid point 234 (106/242) ======================= q-point: (-0.08 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.336 2.065 3.057) 3.924 0.966 ( 0.988 -1.044 0.342) 1.478 1.125 ( 5.041 -5.698 -3.431) 8.345 1.266 ( 0.599 -3.534 -1.005) 3.723 1.370 ( 2.504 -1.280 -1.867) 3.375 1.506 ( 0.102 0.495 2.273) 2.328 1.586 ( 0.369 -4.100 0.684) 4.173 1.640 ( -0.492 2.364 -3.096) 3.927 1.701 ( -0.056 1.898 -1.008) 2.150 1.791 ( -2.783 2.150 1.066) 3.675 2.035 ( 2.601 0.390 -9.100) 9.472 2.181 ( -2.951 -2.415 1.329) 4.038 2.242 ( 1.233 0.406 2.649) 2.950 2.343 ( -1.073 3.008 -2.660) 4.157 2.410 ( 1.660 -5.839 0.900) 6.136 2.529 ( -0.949 -0.065 -0.485) 1.067 2.603 ( 0.599 1.199 -1.286) 1.858 2.704 ( 1.364 1.285 -0.011) 1.874 2.827 ( -2.187 -0.445 3.892) 4.487 3.161 ( -3.390 -4.760 6.535) 8.766 3.521 ( -0.718 16.360 -0.375) 16.380 3.715 ( 1.556 -3.037 -2.511) 4.237 5.426 ( 3.738 -4.385 -2.409) 6.245 5.542 ( -0.283 1.714 -0.231) 1.753 8.911 ( 0.806 3.095 -1.077) 3.374 9.372 ( -1.531 3.677 3.714) 5.445 9.797 ( -1.598 1.521 3.437) 4.085 10.073 ( 0.109 -1.813 4.001) 4.394 10.372 ( 2.302 -1.266 -2.019) 3.313 10.490 ( -0.266 -4.367 -5.672) 7.163 ======================= Grid point 242 (107/242) ======================= q-point: (-0.42 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -10.054 0.000 -0.359) 10.061 0.842 ( -14.177 0.000 -4.429) 14.853 0.967 ( 4.326 -0.000 1.626) 4.621 1.140 ( -1.739 0.000 1.861) 2.547 1.223 ( 4.289 -0.000 0.387) 4.306 1.233 ( 3.267 -0.000 -1.953) 3.806 1.393 ( 5.433 -0.000 3.294) 6.353 1.429 ( -12.196 0.000 -0.710) 12.217 1.471 ( 3.262 -0.000 -2.091) 3.875 1.537 ( -2.220 0.000 1.609) 2.742 1.824 ( 1.931 -0.000 0.401) 1.972 1.911 ( 1.955 -0.000 -2.100) 2.869 2.007 ( 1.267 -0.000 0.293) 1.301 2.021 ( -1.257 0.000 -0.159) 1.267 2.266 ( -0.443 0.000 0.121) 0.459 2.274 ( 3.837 -0.000 1.981) 4.318 2.552 ( 4.581 -0.000 4.170) 6.194 2.823 ( -1.404 0.000 -0.245) 1.425 2.871 ( 0.394 -0.000 -1.921) 1.961 3.312 ( 3.359 -0.000 -6.726) 7.518 3.506 ( -3.618 0.000 3.514) 5.043 3.598 ( -0.063 0.000 0.213) 0.222 5.485 ( 0.073 -0.000 -4.413) 4.413 6.389 ( -5.798 0.000 8.475) 10.268 9.068 ( 0.199 -0.000 -0.366) 0.417 9.144 ( -0.245 0.000 0.363) 0.438 9.574 ( -0.929 0.000 3.947) 4.055 9.970 ( -2.943 0.000 1.318) 3.225 10.209 ( 2.210 -0.000 -0.570) 2.283 11.036 ( 2.383 -0.000 -6.305) 6.740 ======================= Grid point 243 (108/242) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -12.984 3.653 0.225) 13.490 0.773 ( -12.111 -1.127 -7.306) 14.189 0.993 ( 0.902 -0.776 2.776) 3.021 1.158 ( -1.409 -4.104 2.392) 4.955 1.231 ( 6.228 0.179 0.031) 6.231 1.270 ( 1.208 1.854 -2.883) 3.634 1.390 ( -10.978 -5.395 1.325) 12.304 1.456 ( 5.367 -2.263 0.823) 5.883 1.542 ( 0.750 -6.375 3.000) 7.086 1.605 ( 4.684 -4.217 -1.387) 6.453 1.777 ( 0.449 2.183 0.438) 2.272 1.953 ( -2.194 0.365 -0.376) 2.256 2.046 ( 4.238 -6.037 -3.004) 7.964 2.112 ( -0.763 -6.483 0.977) 6.601 2.283 ( -0.136 -1.009 2.100) 2.333 2.322 ( 1.858 -3.770 -0.753) 4.270 2.591 ( 4.349 -0.479 2.267) 4.928 2.795 ( -1.063 1.927 -0.529) 2.264 2.858 ( 0.404 1.258 -0.002) 1.321 3.112 ( -0.315 9.894 -3.233) 10.414 3.469 ( -1.683 0.339 2.232) 2.816 4.034 ( 5.138 -29.201 -1.917) 29.711 5.388 ( -0.440 8.804 -4.438) 9.870 6.264 ( -4.530 11.498 8.040) 14.744 9.162 ( -0.539 -1.244 0.492) 1.443 9.203 ( 2.230 -12.456 0.729) 12.675 9.622 ( -0.610 -4.432 4.656) 6.457 9.915 ( -3.047 4.097 1.214) 5.249 10.227 ( 2.621 -0.625 -0.776) 2.804 10.900 ( 0.367 12.298 -7.222) 14.266 ======================= Grid point 244 (109/242) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -9.164 -2.750 -0.986) 9.618 0.740 ( -6.973 -2.941 -6.073) 9.703 1.041 ( -0.847 -3.137 1.666) 3.652 1.218 ( 1.438 1.801 2.810) 3.634 1.259 ( 6.606 -0.486 -0.945) 6.691 1.276 ( -1.026 -5.038 0.955) 5.230 1.438 ( 0.972 -2.111 2.440) 3.369 1.575 ( -1.980 -8.094 0.182) 8.335 1.664 ( 1.489 -3.385 -1.827) 4.125 1.737 ( 0.424 -4.347 2.092) 4.843 1.782 ( -1.054 -6.898 -1.478) 7.133 1.935 ( -0.514 -0.173 -2.107) 2.176 2.165 ( 1.576 -4.406 -0.631) 4.721 2.194 ( 0.519 -1.523 -2.717) 3.158 2.343 ( -1.323 -4.947 3.665) 6.297 2.421 ( 1.964 -4.927 -0.618) 5.340 2.623 ( 1.143 -1.710 -1.565) 2.585 2.743 ( 0.040 2.801 -1.258) 3.071 2.830 ( -0.872 1.870 2.633) 3.345 2.989 ( 0.448 3.087 0.822) 3.226 3.473 ( -0.652 -1.303 0.637) 1.591 4.576 ( 6.848 -20.388 -2.715) 21.678 5.129 ( 0.900 15.714 -3.182) 16.058 5.993 ( -2.800 14.449 4.561) 15.409 9.155 ( -0.888 1.996 0.895) 2.361 9.500 ( 5.087 -12.950 2.004) 14.057 9.744 ( -0.333 -5.266 4.755) 7.103 9.814 ( -2.216 3.036 2.412) 4.466 10.258 ( 2.980 -1.451 -1.858) 3.800 10.604 ( -2.637 13.556 -7.951) 15.936 ======================= Grid point 245 (110/242) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 2.211 -10.925 -0.536) 11.160 0.786 ( -2.029 -5.270 -2.656) 6.241 1.068 ( 0.823 1.080 0.172) 1.369 1.245 ( 0.406 -2.992 2.329) 3.813 1.273 ( 4.705 0.675 -0.429) 4.772 1.378 ( 1.109 -4.549 -0.970) 4.782 1.499 ( 2.657 -1.908 3.845) 5.049 1.703 ( -4.190 -5.460 -0.454) 6.897 1.719 ( -1.971 -2.227 0.298) 2.989 1.742 ( 0.644 -0.276 -3.687) 3.753 1.928 ( -3.200 -4.036 0.000) 5.150 2.003 ( 1.167 -8.488 -3.105) 9.113 2.201 ( 0.725 -1.203 -1.150) 1.815 2.231 ( 0.333 -1.864 0.231) 1.907 2.434 ( 0.543 -2.585 2.497) 3.635 2.473 ( 1.720 -0.319 -3.993) 4.360 2.684 ( -0.107 2.455 -0.922) 2.625 2.701 ( -0.595 -5.503 -1.702) 5.791 2.795 ( -1.152 1.477 2.778) 3.350 2.977 ( -1.069 -0.867 5.981) 6.137 3.524 ( 0.552 -4.062 -1.166) 4.262 4.526 ( -3.591 24.341 -0.883) 24.621 5.106 ( 9.869 -10.638 -3.940) 15.036 5.750 ( -1.223 9.934 1.558) 10.129 9.087 ( -0.480 4.532 0.579) 4.594 9.585 ( -0.656 5.323 3.437) 6.370 9.827 ( 0.481 -4.653 0.210) 4.683 9.894 ( 2.731 -5.780 7.734) 10.034 10.304 ( 2.978 -2.213 -3.161) 4.875 10.386 ( -2.885 4.217 -7.605) 9.162 ======================= Grid point 246 (111/242) ======================= q-point: (-0.08 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 0.758 -5.921 -0.537) 5.993 0.990 ( 7.792 -9.242 0.652) 12.106 1.035 ( 1.848 0.938 1.871) 2.792 1.250 ( 2.884 1.645 -3.379) 4.737 1.333 ( 1.055 -3.068 0.169) 3.248 1.474 ( 0.133 -5.282 -0.013) 5.283 1.542 ( 2.466 -0.226 2.738) 3.692 1.680 ( -2.110 2.318 -2.715) 4.147 1.728 ( -1.617 0.627 -1.424) 2.244 1.774 ( -4.040 -1.824 0.370) 4.448 1.996 ( 0.030 -3.892 -5.107) 6.421 2.104 ( -2.523 -3.371 -0.804) 4.287 2.247 ( 0.812 -1.197 0.776) 1.642 2.301 ( 1.866 -6.065 1.748) 6.582 2.403 ( 0.610 3.731 -3.570) 5.200 2.511 ( 0.527 -1.644 -0.123) 1.731 2.634 ( 0.509 2.159 -1.902) 2.922 2.740 ( 0.433 1.106 -0.442) 1.267 2.806 ( -1.750 -1.777 3.565) 4.351 3.048 ( -3.331 -5.661 7.389) 9.886 3.617 ( 0.929 -4.914 -2.107) 5.426 3.974 ( -1.642 27.601 -0.504) 27.654 5.329 ( 6.622 -7.760 -3.610) 10.822 5.605 ( -0.376 5.170 0.567) 5.214 8.993 ( 0.307 4.844 -0.309) 4.863 9.468 ( -1.595 5.996 3.705) 7.226 9.834 ( -1.375 1.923 2.777) 3.647 10.038 ( 2.938 -3.946 5.170) 7.136 10.354 ( 3.014 -1.593 -1.835) 3.871 10.371 ( -1.872 -4.861 -7.331) 8.993 ======================= Grid point 255 (112/242) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -14.412 0.000 -4.509) 15.101 0.686 ( -13.521 0.000 -0.199) 13.523 1.004 ( 0.748 -0.000 -0.288) 0.802 1.119 ( -3.586 0.000 2.151) 4.182 1.148 ( -18.494 0.000 -1.075) 18.525 1.282 ( 5.739 -0.000 0.409) 5.753 1.294 ( 0.216 -0.000 -3.432) 3.439 1.495 ( 3.360 -0.000 -2.840) 4.400 1.535 ( 5.695 -0.000 8.492) 10.225 1.574 ( 8.124 -0.000 1.579) 8.276 1.858 ( 3.622 -0.000 0.874) 3.726 1.906 ( -1.015 0.000 0.341) 1.070 2.004 ( -1.735 0.000 -0.149) 1.741 2.035 ( 3.211 -0.000 -0.298) 3.225 2.258 ( -1.111 0.000 0.032) 1.111 2.306 ( 1.499 -0.000 -0.524) 1.588 2.619 ( 4.295 -0.000 1.200) 4.460 2.806 ( -1.221 0.000 -0.674) 1.395 2.876 ( 1.702 -0.000 0.151) 1.709 3.303 ( 1.361 -0.000 -7.454) 7.578 3.484 ( -3.599 0.000 3.569) 5.068 3.598 ( -0.132 0.000 0.194) 0.235 5.453 ( -1.209 0.000 -6.675) 6.783 6.391 ( -3.633 0.000 13.848) 14.317 9.068 ( 0.184 -0.000 -0.381) 0.423 9.143 ( -0.285 0.000 0.374) 0.470 9.592 ( -0.315 0.000 6.447) 6.455 9.940 ( -3.278 0.000 0.372) 3.299 10.235 ( 2.624 -0.000 0.082) 2.625 11.024 ( 1.971 -0.000 -8.436) 8.663 ======================= Grid point 256 (113/242) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -15.296 3.302 -0.200) 15.650 0.610 ( -12.099 -3.274 -4.689) 13.382 1.008 ( 0.405 -0.309 -0.085) 0.516 1.098 ( -12.719 -7.945 1.727) 15.095 1.240 ( -4.215 -7.701 -1.433) 8.895 1.278 ( 3.362 1.174 -0.853) 3.662 1.342 ( 2.495 -2.498 2.984) 4.623 1.500 ( 2.815 -0.447 -0.983) 3.015 1.609 ( 4.454 -4.211 5.247) 8.068 1.653 ( 6.264 -2.101 -1.386) 6.751 1.790 ( 1.197 4.044 1.339) 4.425 1.936 ( -0.151 0.185 -0.822) 0.856 2.073 ( 3.043 -5.707 -2.154) 6.817 2.112 ( -0.739 -5.606 2.039) 6.011 2.275 ( -2.505 -1.598 1.042) 3.149 2.341 ( 2.269 -3.789 -1.050) 4.540 2.629 ( 2.081 0.812 -1.876) 2.917 2.782 ( -0.733 1.596 -0.906) 1.976 2.871 ( 0.883 1.809 1.622) 2.585 3.091 ( -0.443 8.216 -2.681) 8.653 3.462 ( -1.684 0.170 2.315) 2.867 4.096 ( 9.093 -32.283 -3.365) 33.707 5.347 ( -2.063 8.073 -6.844) 10.782 6.276 ( -2.668 12.954 13.553) 18.937 9.158 ( -0.745 -1.019 0.565) 1.383 9.241 ( 4.407 -15.066 0.285) 15.700 9.653 ( 0.939 -4.494 8.388) 9.562 9.885 ( -3.030 3.714 0.524) 4.821 10.253 ( 2.707 -0.457 -0.421) 2.777 10.853 ( -1.923 14.114 -9.583) 17.168 ======================= Grid point 257 (114/242) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -4.473 -8.636 0.238) 9.729 0.645 ( -6.161 -6.340 -3.115) 9.373 1.043 ( 0.740 -2.819 -1.196) 3.151 1.209 ( -6.070 -5.904 2.831) 8.928 1.285 ( 1.012 -0.758 2.415) 2.726 1.318 ( 5.277 -1.342 -2.451) 5.971 1.430 ( -3.268 -6.012 2.454) 7.269 1.558 ( -0.589 -4.792 0.459) 4.850 1.695 ( 3.869 -0.668 0.576) 3.969 1.741 ( -0.170 1.362 -1.472) 2.012 1.786 ( 1.447 -9.350 1.613) 9.598 1.929 ( 1.699 -0.058 -2.702) 3.192 2.173 ( -0.401 -3.321 0.399) 3.369 2.180 ( 0.001 -2.002 -3.151) 3.733 2.341 ( -2.458 -6.278 3.535) 7.613 2.440 ( 2.455 -4.059 -1.820) 5.081 2.617 ( 0.001 -0.828 -2.521) 2.653 2.738 ( 0.346 2.488 -1.682) 3.023 2.829 ( -1.726 2.139 2.521) 3.729 3.009 ( 1.955 2.395 1.412) 3.399 3.470 ( -0.591 -1.505 0.684) 1.756 4.646 ( 8.757 -14.979 -3.410) 17.683 5.114 ( 0.483 10.619 -6.132) 12.272 5.997 ( -2.049 15.441 7.682) 17.367 9.148 ( -1.236 1.875 1.007) 2.461 9.566 ( 5.911 -11.830 -0.538) 13.235 9.769 ( -1.199 1.292 5.397) 5.678 9.825 ( 2.858 -4.377 6.127) 8.054 10.280 ( 2.687 -1.066 -2.362) 3.733 10.521 ( -5.298 13.093 -8.172) 16.318 ======================= Grid point 258 (115/242) ======================= q-point: (-0.08 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.196 -8.676 -2.747) 9.102 0.788 ( 5.208 -13.340 2.660) 14.565 1.081 ( 1.570 0.272 -0.858) 1.809 1.263 ( 1.240 -2.238 0.852) 2.697 1.311 ( 0.508 -0.324 1.736) 1.838 1.386 ( 2.273 -3.596 -1.750) 4.600 1.526 ( -0.507 -3.947 3.077) 5.030 1.642 ( -5.166 -4.812 -1.383) 7.194 1.695 ( -1.865 1.336 -0.454) 2.339 1.744 ( 0.879 -1.274 -0.424) 1.605 1.908 ( -0.862 -3.137 0.325) 3.269 2.001 ( 1.936 -6.295 -4.171) 7.795 2.198 ( -0.133 -2.886 -1.173) 3.118 2.236 ( -0.091 -2.535 0.913) 2.696 2.451 ( 0.674 -1.579 0.975) 1.974 2.462 ( 0.274 -1.263 -4.058) 4.259 2.677 ( -0.998 -0.003 0.851) 1.312 2.692 ( 1.154 -2.691 -3.264) 4.385 2.798 ( -1.131 0.945 3.415) 3.720 2.995 ( -0.900 -0.061 5.085) 5.165 3.524 ( 0.577 -4.160 -1.126) 4.348 4.487 ( -2.844 24.338 -0.634) 24.511 5.182 ( 8.825 -10.170 -6.314) 14.872 5.751 ( -0.753 10.239 3.213) 10.757 9.083 ( -0.751 4.216 0.654) 4.332 9.591 ( -1.123 6.161 2.809) 6.864 9.830 ( -0.225 -3.859 0.451) 3.892 9.985 ( 6.363 -5.281 8.456) 11.827 10.281 ( -2.502 0.120 -9.782) 10.097 10.351 ( 1.159 0.661 -0.022) 1.334 ======================= Grid point 268 (116/242) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -14.693 0.000 -3.760) 15.166 0.532 ( -15.199 0.000 1.001) 15.232 0.865 ( -23.463 0.000 1.594) 23.517 1.056 ( 1.101 -0.000 -1.405) 1.785 1.088 ( -3.686 0.000 1.155) 3.863 1.300 ( 1.805 -0.000 -1.994) 2.690 1.343 ( 4.723 -0.000 0.996) 4.827 1.515 ( 3.237 -0.000 -3.249) 4.587 1.588 ( 2.033 -0.000 3.126) 3.729 1.713 ( 9.981 -0.000 5.277) 11.290 1.907 ( 4.169 -0.000 1.341) 4.379 1.912 ( 1.707 -0.000 2.944) 3.404 1.984 ( -1.674 0.000 -0.244) 1.691 2.067 ( 2.371 -0.000 1.230) 2.671 2.242 ( -1.744 0.000 -0.108) 1.747 2.305 ( -0.369 0.000 -1.913) 1.948 2.646 ( 2.153 -0.000 -3.548) 4.150 2.790 ( -0.864 0.000 -0.955) 1.287 2.909 ( 3.079 -0.000 1.027) 3.246 3.263 ( -1.262 0.000 -8.619) 8.711 3.467 ( -2.912 0.000 3.583) 4.617 3.598 ( -0.175 0.000 0.143) 0.226 5.388 ( -3.415 0.000 -9.758) 10.339 6.470 ( 1.916 -0.000 24.344) 24.419 9.068 ( 0.173 -0.000 -0.410) 0.445 9.141 ( -0.299 0.000 0.391) 0.492 9.640 ( 1.727 -0.000 11.327) 11.458 9.907 ( -2.911 0.000 0.336) 2.930 10.263 ( 2.329 -0.000 0.225) 2.340 10.984 ( -0.027 0.000 -13.342) 13.342 ======================= Grid point 269 (117/242) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -13.528 -0.430 1.196) 13.588 0.471 ( -11.229 -5.632 -0.261) 12.565 0.914 ( -16.990 -12.100 0.680) 20.870 1.034 ( 0.321 -1.467 1.590) 2.187 1.196 ( -2.615 -8.280 -2.579) 9.058 1.306 ( 1.752 -0.284 0.279) 1.796 1.393 ( 3.331 -0.423 2.404) 4.129 1.527 ( 3.621 -0.813 -0.824) 3.801 1.648 ( 1.415 -4.822 0.272) 5.032 1.733 ( 6.260 2.023 2.727) 7.122 1.813 ( 1.228 4.784 2.443) 5.510 1.946 ( 2.875 0.630 -1.071) 3.132 2.091 ( 1.812 -5.988 -1.350) 6.400 2.113 ( -1.256 -3.114 2.210) 4.020 2.242 ( -4.337 -1.774 0.542) 4.717 2.361 ( 2.771 -4.941 -1.343) 5.822 2.622 ( 0.104 1.543 -4.308) 4.577 2.770 ( -0.427 1.297 -1.254) 1.854 2.874 ( -2.097 3.224 0.883) 3.946 3.087 ( 2.097 4.697 -1.838) 5.462 3.456 ( -1.603 0.056 2.443) 2.922 4.200 ( 15.575 -35.948 -8.028) 39.991 5.271 ( -4.835 7.065 -9.389) 12.705 6.350 ( 0.410 17.621 21.349) 27.685 9.152 ( -0.835 -0.686 0.639) 1.256 9.300 ( 7.110 -17.658 -1.897) 19.130 9.743 ( 6.195 -5.435 14.760) 16.905 9.858 ( -2.543 3.563 0.819) 4.454 10.277 ( 2.151 -0.249 -0.802) 2.309 10.749 ( -7.742 15.580 -12.986) 21.709 ======================= Grid point 270 (118/242) ======================= q-point: (-0.08 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 2.082 -13.638 1.216) 13.849 0.585 ( -3.350 -9.855 1.653) 10.539 1.029 ( -2.369 -5.670 -3.895) 7.275 1.157 ( -5.117 -9.781 5.286) 12.239 1.280 ( -2.438 -0.879 -2.436) 3.557 1.345 ( 1.700 -2.931 -1.950) 3.909 1.421 ( -1.233 -3.945 4.255) 5.932 1.573 ( 2.349 -1.205 1.323) 2.953 1.724 ( 1.467 -1.105 -3.022) 3.536 1.744 ( 1.391 3.126 2.935) 4.508 1.812 ( 1.261 -6.457 2.218) 6.943 1.947 ( 4.330 -0.017 -2.872) 5.196 2.145 ( -3.036 -1.623 -1.911) 3.937 2.177 ( -0.010 -3.575 -0.486) 3.607 2.328 ( -2.774 -7.734 2.895) 8.711 2.451 ( 2.151 -2.258 -3.848) 4.954 2.606 ( -0.084 -1.738 -1.778) 2.488 2.732 ( 0.286 2.243 -2.207) 3.160 2.822 ( -1.923 1.440 3.157) 3.967 3.038 ( 2.208 2.799 0.388) 3.586 3.468 ( -0.474 -1.691 0.783) 1.923 4.727 ( 9.711 -6.467 -4.109) 12.370 5.073 ( -0.460 2.978 -10.763) 11.177 6.025 ( -1.604 17.418 10.948) 20.636 9.139 ( -1.366 1.816 1.071) 2.512 9.612 ( 4.274 -9.436 -2.847) 10.743 9.766 ( -2.187 3.163 2.617) 4.651 9.953 ( 10.988 -5.778 12.197) 17.404 10.276 ( -0.804 1.395 -7.456) 7.628 10.419 ( -6.521 8.301 -2.975) 10.967 ======================= Grid point 281 (119/242) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.319 ( -14.170 0.000 0.190) 14.171 0.377 ( -15.403 0.000 3.787) 15.862 0.627 ( -24.233 0.000 8.403) 25.648 1.052 ( -3.251 0.000 -0.411) 3.276 1.071 ( 3.712 -0.000 -3.401) 5.034 1.307 ( 0.209 -0.000 1.444) 1.459 1.389 ( 2.696 -0.000 0.988) 2.872 1.537 ( 3.688 -0.000 -2.514) 4.463 1.619 ( 1.210 -0.000 1.806) 2.174 1.804 ( 4.491 -0.000 0.977) 4.596 1.945 ( -0.292 0.000 2.083) 2.103 1.978 ( 2.514 -0.000 -0.971) 2.695 1.990 ( 8.152 -0.000 4.362) 9.246 2.100 ( 1.145 -0.000 4.782) 4.917 2.220 ( -2.106 0.000 -0.211) 2.116 2.281 ( -1.664 0.000 -3.183) 3.592 2.639 ( 1.340 -0.000 -6.807) 6.938 2.779 ( -0.287 0.000 -0.669) 0.728 2.922 ( -1.521 0.000 -3.208) 3.550 3.198 ( -2.243 0.000 -7.509) 7.837 3.457 ( -2.291 0.000 3.417) 4.114 3.596 ( -0.180 0.000 0.072) 0.194 5.280 ( -6.918 0.000 -10.294) 12.403 6.708 ( 15.968 -0.000 35.472) 38.901 9.067 ( 0.169 -0.000 -0.444) 0.475 9.140 ( -0.282 0.000 0.410) 0.497 9.763 ( 8.559 -0.000 16.797) 18.852 9.889 ( -1.018 0.000 4.575) 4.687 10.285 ( 1.590 -0.000 -0.317) 1.621 10.859 ( -8.772 0.000 -23.099) 24.708 ======================= Grid point 282 (120/242) ======================= q-point: (-0.08 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( -4.491 -8.290 6.328) 11.355 0.378 ( -7.305 -8.817 5.489) 12.698 0.741 ( -17.073 -15.432 5.551) 23.673 1.053 ( 2.023 -2.250 0.076) 3.027 1.155 ( -1.186 -6.472 -4.995) 8.261 1.313 ( -0.886 -0.583 0.619) 1.228 1.431 ( 1.783 0.573 1.731) 2.550 1.569 ( 4.019 -1.614 0.102) 4.332 1.657 ( 0.497 -3.897 -0.093) 3.930 1.799 ( 4.151 1.994 1.797) 4.943 1.840 ( 0.766 5.161 3.591) 6.335 1.981 ( 4.012 1.002 -0.624) 4.182 2.089 ( -2.587 -2.522 -0.500) 3.648 2.107 ( -0.168 -2.419 -0.299) 2.443 2.192 ( -4.767 -3.581 0.923) 6.034 2.386 ( 3.326 -5.047 -2.531) 6.553 2.592 ( -1.471 1.106 -5.018) 5.345 2.761 ( -0.084 1.351 -1.072) 1.727 2.846 ( -3.018 1.713 1.888) 3.951 3.109 ( 3.313 2.974 -2.708) 5.211 3.451 ( -1.598 -0.100 2.416) 2.899 4.338 ( 21.253 -38.681 -19.988) 48.450 5.155 ( -7.604 6.354 -7.585) 12.479 6.488 ( 1.663 27.558 25.808) 37.793 9.147 ( -0.779 -0.324 0.695) 1.093 9.364 ( 7.786 -17.686 -5.625) 20.126 9.833 ( -0.790 2.078 -1.134) 2.496 9.969 ( 17.919 -3.491 21.500) 28.205 10.279 ( -1.092 1.137 -5.152) 5.388 10.545 ( -17.457 11.712 -10.851) 23.657 ======================= Grid point 294 (121/242) ======================= q-point: (-0.08 -0.08 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( -5.409 0.000 12.766) 13.864 0.256 ( -11.602 0.000 9.282) 14.858 0.452 ( -18.525 0.000 17.199) 25.278 1.015 ( -2.380 0.000 -2.165) 3.217 1.104 ( 6.271 -0.000 -5.025) 8.036 1.334 ( 1.738 -0.000 5.816) 6.070 1.411 ( 0.806 -0.000 0.326) 0.869 1.569 ( 3.595 -0.000 -0.902) 3.706 1.626 ( -0.972 0.000 0.101) 0.977 1.847 ( 3.389 -0.000 0.076) 3.389 1.935 ( -1.968 0.000 1.311) 2.365 2.011 ( 2.953 -0.000 -0.548) 3.004 2.067 ( 3.813 -0.000 -2.505) 4.562 2.136 ( -1.879 0.000 1.027) 2.141 2.198 ( -1.611 0.000 -0.169) 1.620 2.232 ( -3.456 0.000 -4.810) 5.923 2.582 ( -4.187 0.000 -9.734) 10.596 2.800 ( 3.935 -0.000 3.886) 5.530 2.853 ( -5.026 0.000 0.768) 5.084 3.165 ( 1.087 -0.000 -4.091) 4.233 3.450 ( -2.085 0.000 3.396) 3.985 3.595 ( -0.146 0.000 0.002) 0.146 5.169 ( -4.961 0.000 -2.666) 5.632 7.117 ( 25.597 -0.000 16.671) 30.547 9.067 ( 0.175 -0.000 -0.474) 0.505 9.139 ( -0.239 0.000 0.425) 0.487 9.837 ( -0.118 0.000 -3.057) 3.059 10.134 ( 29.845 -0.000 22.505) 37.379 10.270 ( -6.809 0.000 -8.809) 11.134 10.524 ( -27.504 0.000 -13.548) 30.660 ======================= Grid point 295 (122/242) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.541 -0.000 11.135) 11.149 0.534 ( -3.315 0.000 13.067) 13.481 0.879 ( 3.908 -0.000 19.203) 19.597 0.885 ( -1.367 0.000 -6.323) 6.469 0.998 ( 5.452 -0.000 -9.156) 10.656 1.402 ( -2.699 0.000 -0.777) 2.809 1.409 ( -0.293 0.000 -0.297) 0.417 1.566 ( -1.930 0.000 -2.399) 3.079 1.608 ( 1.959 -0.000 0.522) 2.028 1.860 ( -2.668 0.000 0.039) 2.668 1.945 ( -1.665 0.000 1.348) 2.143 1.959 ( -8.565 0.000 0.965) 8.619 2.007 ( 0.480 -0.000 -1.158) 1.254 2.047 ( 1.213 -0.000 -1.935) 2.284 2.138 ( 5.229 -0.000 -5.320) 7.459 2.189 ( 0.229 -0.000 -0.028) 0.231 2.481 ( 1.503 -0.000 -2.925) 3.289 2.879 ( -2.121 0.000 4.088) 4.605 2.951 ( 3.032 -0.000 0.997) 3.192 3.079 ( 1.934 -0.000 -4.503) 4.901 3.515 ( -0.376 0.000 2.657) 2.683 3.592 ( -0.082 0.000 -0.050) 0.096 5.174 ( 3.578 -0.000 -0.497) 3.612 7.152 ( -7.898 0.000 -0.347) 7.906 9.057 ( 0.152 -0.000 -0.406) 0.433 9.147 ( -0.147 0.000 0.345) 0.375 9.668 ( -5.433 0.000 -2.728) 6.079 9.991 ( -6.024 0.000 1.921) 6.323 10.324 ( 0.357 -0.000 0.416) 0.548 10.762 ( 10.114 -0.000 2.373) 10.389 ======================= Grid point 296 (123/242) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 3.880 -5.547 10.474) 12.471 0.626 ( -3.459 -7.384 9.953) 12.867 0.908 ( -0.454 -4.252 -7.256) 8.422 1.001 ( 6.722 -3.683 12.309) 14.500 1.043 ( 3.606 -4.567 -7.652) 9.613 1.312 ( -1.360 4.068 -0.327) 4.302 1.409 ( -1.540 -1.345 1.425) 2.492 1.543 ( -1.812 -1.856 -2.542) 3.632 1.738 ( 0.384 -6.347 1.005) 6.437 1.818 ( -7.354 0.168 0.043) 7.356 1.901 ( -3.414 2.068 1.911) 4.426 1.971 ( 1.653 -0.367 0.797) 1.872 2.039 ( 2.209 -0.173 -0.745) 2.338 2.070 ( -1.523 -6.284 -0.968) 6.538 2.170 ( 1.221 -1.918 -0.956) 2.467 2.275 ( 3.633 -6.183 -5.234) 8.878 2.471 ( 0.344 0.309 -2.121) 2.171 2.835 ( 0.258 5.252 3.197) 6.153 2.913 ( -0.375 1.298 1.265) 1.851 3.028 ( 0.887 2.333 -3.905) 4.635 3.478 ( -0.647 0.664 1.586) 1.837 4.028 ( 0.156 -31.588 -6.167) 32.184 5.109 ( 5.071 8.920 -1.343) 10.348 6.766 ( -8.132 27.547 5.743) 29.291 9.154 ( -0.201 -0.269 0.516) 0.616 9.288 ( -1.179 -18.011 -2.701) 18.251 9.669 ( -3.425 -3.290 -1.145) 4.885 9.929 ( -3.866 4.098 3.182) 6.470 10.326 ( -0.294 -0.347 0.231) 0.510 10.760 ( 7.450 5.251 0.709) 9.142 ======================= Grid point 297 (124/242) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 5.516 -6.581 7.356) 11.307 0.798 ( -4.459 -9.939 6.375) 12.622 0.950 ( 1.046 -1.766 -8.431) 8.677 1.125 ( 2.248 -3.258 6.565) 7.666 1.158 ( -2.233 -7.996 -6.608) 10.611 1.299 ( 4.886 -2.907 -2.238) 6.110 1.465 ( -2.394 -3.212 4.213) 5.814 1.584 ( -0.042 -3.761 1.047) 3.905 1.773 ( -5.947 -0.132 -0.233) 5.953 1.832 ( -2.308 -2.245 0.385) 3.243 1.879 ( 0.313 -0.614 1.699) 1.834 1.988 ( 0.984 -0.485 -0.850) 1.387 2.055 ( 2.502 -1.852 -0.462) 3.147 2.173 ( -0.198 1.132 -3.459) 3.645 2.210 ( 0.583 -6.274 -0.036) 6.301 2.412 ( 3.591 -6.926 -2.712) 8.259 2.491 ( -1.366 -3.081 -0.653) 3.433 2.748 ( 0.782 3.917 0.204) 3.999 2.904 ( -1.223 0.666 1.753) 2.239 3.005 ( -0.315 -1.090 -0.661) 1.313 3.477 ( -0.128 -0.476 0.485) 0.691 4.578 ( -2.433 -25.330 -6.333) 26.223 4.887 ( 5.775 15.889 -1.959) 17.019 6.237 ( -3.822 23.477 4.791) 24.264 9.139 ( -0.192 2.157 0.654) 2.262 9.570 ( -3.602 -11.622 -1.894) 12.314 9.753 ( 1.001 -5.283 0.188) 5.380 9.827 ( -3.044 3.963 3.092) 5.877 10.336 ( -0.706 -0.877 -0.565) 1.260 10.670 ( 3.189 6.464 1.170) 7.302 ======================= Grid point 298 (125/242) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 2.293 -2.118 0.932) 3.257 0.953 ( -0.197 -5.836 1.622) 6.060 1.003 ( -2.657 -6.609 -0.637) 7.152 1.183 ( -1.575 -2.746 4.384) 5.408 1.289 ( -2.885 -8.493 -6.105) 10.850 1.407 ( 3.355 -3.437 -1.675) 5.087 1.500 ( -3.391 -2.128 3.703) 5.454 1.682 ( 2.353 -3.748 0.416) 4.444 1.745 ( -2.890 0.378 0.572) 2.970 1.830 ( -2.117 1.572 0.047) 2.637 1.901 ( 0.359 -1.807 -1.399) 2.313 2.005 ( 2.030 -1.192 -2.369) 3.340 2.126 ( 3.667 1.234 -3.587) 5.276 2.147 ( 1.936 -4.622 1.648) 5.275 2.305 ( 0.369 -3.088 0.012) 3.110 2.546 ( -0.747 -3.835 1.902) 4.346 2.547 ( 1.200 -4.167 -4.080) 5.954 2.701 ( 0.635 1.145 -0.170) 1.320 2.885 ( -0.850 0.438 1.055) 1.424 3.065 ( -2.496 -4.999 4.673) 7.284 3.504 ( 0.533 -2.471 -1.512) 2.945 4.466 ( 2.535 25.149 -0.417) 25.280 5.010 ( -1.206 -17.588 -4.909) 18.300 5.871 ( -1.428 13.950 1.830) 14.142 9.071 ( -0.105 4.667 0.208) 4.673 9.626 ( -1.900 4.408 1.693) 5.090 9.783 ( -1.729 -3.586 3.290) 5.164 9.905 ( -0.024 -6.719 -0.992) 6.792 10.344 ( -1.122 -0.694 -1.308) 1.858 10.583 ( 0.445 3.312 0.626) 3.400 ======================= Grid point 299 (126/242) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.539 -0.539 -0.138) 0.775 1.025 ( -0.891 -0.715 0.574) 1.279 1.102 ( -3.861 -5.261 0.591) 6.553 1.270 ( -0.863 -5.393 3.507) 6.491 1.407 ( -0.019 -2.146 -2.367) 3.195 1.424 ( -4.680 -3.208 -3.901) 6.886 1.551 ( -0.223 -3.407 3.416) 4.830 1.683 ( -2.923 3.873 -1.724) 5.149 1.724 ( -0.712 -0.084 -1.562) 1.719 1.805 ( 3.014 1.088 -1.962) 3.757 1.932 ( 1.141 -1.330 -5.636) 5.902 2.050 ( 5.490 -0.794 1.917) 5.869 2.139 ( 6.252 -1.026 1.452) 6.500 2.259 ( -0.876 -4.698 0.237) 4.785 2.353 ( -0.382 -2.943 0.203) 2.975 2.569 ( -0.234 -0.172 -1.852) 1.875 2.601 ( -0.540 -0.938 -0.418) 1.161 2.701 ( 0.815 0.011 -0.912) 1.223 2.888 ( -0.625 -0.457 1.398) 1.598 3.181 ( -3.868 -6.732 8.193) 11.287 3.569 ( 1.279 -4.114 -3.423) 5.502 3.950 ( 1.571 27.259 -0.462) 27.308 5.263 ( -1.747 -10.571 -3.089) 11.151 5.674 ( -0.759 6.882 0.401) 6.935 8.972 ( -0.021 5.138 -0.450) 5.158 9.511 ( -1.211 5.936 2.781) 6.666 9.845 ( -1.197 -1.785 4.363) 4.863 10.014 ( -1.218 -5.278 -0.112) 5.418 10.346 ( -0.961 -0.545 -1.698) 2.026 10.549 ( 0.137 0.744 -1.672) 1.835 ======================= Grid point 300 (127/242) ======================= q-point: ( 0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -0.757 -0.048 0.473) 0.894 1.003 ( -3.815 0.500 1.171) 4.021 1.152 ( -1.772 -0.875 -2.195) 2.954 1.344 ( -1.759 2.501 -2.587) 4.005 1.359 ( -0.871 -2.922 1.855) 3.569 1.507 ( -1.604 -3.792 -1.268) 4.308 1.594 ( -0.411 1.848 0.518) 1.963 1.632 ( 0.187 -1.149 -0.759) 1.390 1.691 ( -0.359 0.911 -1.216) 1.561 1.789 ( 4.092 1.748 -1.831) 4.811 1.933 ( 2.651 1.154 -5.357) 6.088 2.068 ( 2.902 0.686 0.643) 3.051 2.233 ( 4.026 -3.929 2.317) 6.084 2.303 ( -1.872 -1.307 1.593) 2.783 2.435 ( 0.046 -4.663 0.015) 4.663 2.554 ( 0.906 1.206 -1.618) 2.212 2.592 ( -1.815 0.829 -0.134) 2.000 2.688 ( 0.494 1.098 -1.844) 2.202 2.893 ( -0.896 -0.063 2.056) 2.243 3.300 ( -3.909 -4.885 8.748) 10.755 3.510 ( 0.619 16.145 -0.294) 16.160 3.648 ( 1.760 -2.877 -4.594) 5.699 5.392 ( -0.798 -4.566 -2.491) 5.262 5.577 ( -0.586 3.209 0.192) 3.267 8.887 ( 0.186 3.255 -0.918) 3.387 9.420 ( -1.130 3.278 2.791) 4.451 9.864 ( -1.517 -0.126 4.992) 5.219 10.097 ( -2.011 -3.858 2.375) 4.956 10.347 ( 0.090 -0.309 -2.497) 2.518 10.527 ( 0.973 1.456 -3.824) 4.206 ======================= Grid point 301 (128/242) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.216 -0.967 -0.893) 1.334 1.013 ( -1.948 -2.888 2.177) 4.108 1.106 ( 0.514 3.237 -3.782) 5.005 1.308 ( -0.297 0.859 -1.201) 1.506 1.387 ( 1.103 -0.393 0.171) 1.183 1.537 ( -0.325 -0.846 0.602) 1.088 1.566 ( -0.758 0.382 0.066) 0.851 1.645 ( 0.690 -0.429 -1.525) 1.728 1.676 ( 1.454 2.129 -0.229) 2.588 1.797 ( 2.512 -0.710 -0.684) 2.699 1.888 ( 3.536 3.335 -3.764) 6.147 2.097 ( -2.998 -4.105 -2.753) 5.781 2.295 ( -1.113 0.273 -0.034) 1.146 2.319 ( 0.473 -0.824 4.659) 4.755 2.502 ( -0.211 -1.758 -0.280) 1.793 2.532 ( 1.936 1.116 -1.038) 2.464 2.554 ( -1.139 2.166 -0.311) 2.467 2.676 ( 0.911 -0.517 -1.932) 2.198 2.892 ( -1.177 0.149 2.291) 2.580 3.346 ( -1.964 -0.528 3.572) 4.110 3.357 ( -1.904 0.360 4.578) 4.971 3.679 ( 2.163 -0.046 -4.721) 5.193 5.427 ( 1.059 0.160 -2.668) 2.875 5.541 ( -0.118 0.482 0.769) 0.915 8.855 ( 0.527 -0.151 -1.122) 1.249 9.392 ( -1.229 -0.407 2.610) 2.914 9.868 ( -2.176 -0.118 4.989) 5.444 10.152 ( -1.909 -2.118 4.517) 5.341 10.342 ( 1.212 0.569 -3.824) 4.052 10.479 ( 2.065 3.324 -3.911) 5.532 ======================= Grid point 302 (129/242) ======================= q-point: (-0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.322 -0.448 -1.606) 1.698 1.046 ( 3.014 1.937 0.108) 3.584 1.108 ( 3.722 -5.069 -0.418) 6.303 1.276 ( 0.275 2.807 0.233) 2.830 1.383 ( 3.203 2.902 0.763) 4.389 1.540 ( 0.536 1.633 -3.421) 3.828 1.580 ( -0.175 -1.474 2.822) 3.189 1.614 ( 0.745 1.148 0.948) 1.665 1.666 ( 0.219 -0.055 -1.982) 1.995 1.809 ( -0.809 0.366 1.797) 2.004 1.850 ( 1.449 0.499 -6.852) 7.021 2.164 ( -3.502 -3.881 -1.399) 5.412 2.236 ( -3.256 2.971 -1.569) 4.679 2.333 ( -0.645 0.635 3.517) 3.632 2.457 ( 1.162 5.597 -0.365) 5.728 2.537 ( -0.145 -0.950 1.457) 1.745 2.542 ( 2.049 -0.714 -3.038) 3.734 2.705 ( 1.090 -1.716 -1.242) 2.382 2.885 ( -1.150 0.603 2.299) 2.640 3.308 ( -4.253 4.485 8.459) 10.476 3.507 ( -0.537 -15.737 -0.106) 15.747 3.649 ( 2.486 2.561 -4.723) 5.920 5.390 ( 3.112 4.093 -2.975) 5.940 5.561 ( 0.520 -2.226 1.226) 2.594 8.893 ( 0.678 -3.554 -1.079) 3.776 9.433 ( -1.520 -3.836 2.436) 4.791 9.872 ( -2.652 -0.475 4.252) 5.034 10.181 ( -1.198 -0.431 4.912) 5.075 10.303 ( 1.562 3.446 -6.155) 7.225 10.421 ( 3.763 2.999 -0.146) 4.814 ======================= Grid point 303 (130/242) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 1.935 5.599 -0.539) 5.948 1.047 ( 1.699 0.448 -0.597) 1.856 1.178 ( 2.007 7.939 2.268) 8.497 1.214 ( 6.738 -0.241 -0.439) 6.757 1.347 ( -0.298 0.586 1.043) 1.233 1.467 ( 2.411 3.918 -2.444) 5.209 1.604 ( -0.599 -1.397 0.880) 1.756 1.631 ( -0.411 0.976 0.724) 1.283 1.658 ( -0.526 0.038 0.271) 0.593 1.796 ( -2.153 -0.053 2.648) 3.414 1.840 ( 2.490 -0.171 -7.608) 8.007 2.086 ( -3.427 6.578 1.522) 7.572 2.241 ( -3.018 -1.871 -3.458) 4.956 2.316 ( -2.248 0.504 1.074) 2.541 2.340 ( 1.353 6.168 -1.535) 6.498 2.543 ( 1.532 1.244 0.353) 2.005 2.578 ( 1.770 -2.088 -1.824) 3.289 2.726 ( -0.094 0.021 -1.156) 1.160 2.867 ( -0.396 1.242 2.301) 2.644 3.195 ( -3.954 6.319 7.573) 10.626 3.566 ( 1.774 4.065 -3.253) 5.500 3.946 ( -1.152 -26.930 -0.392) 26.958 5.280 ( 4.596 8.884 -4.375) 10.917 5.646 ( 0.785 -6.306 1.840) 6.615 8.983 ( 0.302 -5.383 -0.755) 5.444 9.528 ( -1.806 -5.957 2.429) 6.682 9.873 ( -2.719 0.058 2.503) 3.696 10.147 ( -1.718 4.545 -4.737) 6.786 10.235 ( 3.976 2.478 3.051) 5.591 10.411 ( 4.294 0.898 2.759) 5.182 ======================= Grid point 304 (131/242) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 1.255 7.898 2.399) 8.349 0.977 ( 4.514 10.812 5.915) 13.125 1.045 ( -0.500 4.206 -1.658) 4.549 1.192 ( 3.122 3.515 -5.482) 7.222 1.300 ( -5.086 2.598 -0.702) 5.754 1.432 ( 1.792 4.377 0.126) 4.732 1.576 ( -2.221 4.174 0.655) 4.773 1.609 ( -0.914 0.180 2.637) 2.796 1.681 ( 3.493 -2.628 1.985) 4.800 1.805 ( -0.216 -0.554 2.723) 2.787 1.864 ( 6.020 -1.774 -5.696) 8.475 1.952 ( -3.203 5.309 1.256) 6.327 2.162 ( -1.903 6.133 -1.593) 6.616 2.268 ( 0.610 3.295 1.374) 3.622 2.311 ( -3.219 -1.818 -5.552) 6.670 2.496 ( 0.342 4.607 0.715) 4.675 2.606 ( 1.201 0.638 -3.624) 3.871 2.693 ( -0.271 1.561 0.394) 1.633 2.865 ( 0.278 -0.762 2.127) 2.276 3.082 ( -2.277 4.759 3.696) 6.442 3.503 ( 0.842 2.274 -1.320) 2.761 4.455 ( -1.703 -24.600 -0.070) 24.658 5.059 ( 4.438 15.489 -7.618) 17.823 5.845 ( 0.661 -14.049 3.250) 14.435 9.083 ( -0.462 -4.706 -0.138) 4.731 9.635 ( -0.843 -4.281 1.696) 4.681 9.831 ( -1.877 3.876 0.867) 4.392 10.025 ( -3.062 3.363 -7.627) 8.880 10.243 ( 6.000 1.265 4.956) 7.884 10.446 ( 3.273 -1.504 5.560) 6.625 ======================= Grid point 305 (132/242) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.035 8.069 7.024) 10.698 0.787 ( 1.819 11.633 9.379) 15.053 0.953 ( 1.441 5.308 -0.741) 5.549 1.098 ( -1.962 4.906 -7.573) 9.234 1.202 ( -3.146 6.608 1.027) 7.390 1.322 ( -2.057 3.204 -0.848) 3.901 1.478 ( -1.437 4.148 1.285) 4.574 1.608 ( -0.929 0.602 0.647) 1.282 1.764 ( 5.880 -0.656 2.583) 6.456 1.819 ( 1.810 1.430 0.230) 2.318 1.863 ( -0.795 -0.087 2.098) 2.246 1.943 ( 5.690 -2.674 -1.172) 6.395 2.044 ( -4.285 3.203 -2.215) 5.790 2.192 ( 0.321 5.168 0.969) 5.268 2.296 ( -4.204 1.533 -3.776) 5.855 2.382 ( 0.838 5.952 -1.622) 6.226 2.534 ( -0.287 4.269 -3.451) 5.497 2.718 ( 1.274 -2.766 0.814) 3.152 2.893 ( -0.448 -0.923 2.948) 3.122 3.021 ( 0.258 0.844 -1.867) 2.065 3.481 ( -0.538 0.229 0.493) 0.765 4.640 ( 6.667 23.951 -10.087) 26.830 4.863 ( -4.158 -14.089 -1.140) 14.734 6.233 ( -0.138 -25.022 5.464) 25.612 9.145 ( -0.834 -1.960 0.438) 2.175 9.586 ( 3.024 11.087 -2.191) 11.699 9.777 ( -1.954 0.210 0.158) 1.972 9.968 ( -7.868 -2.368 -6.531) 10.496 10.270 ( 6.823 0.514 3.214) 7.560 10.534 ( 3.100 -3.941 7.975) 9.421 ======================= Grid point 306 (133/242) ======================= q-point: (-0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -0.455 5.094 11.191) 12.304 0.612 ( -2.556 8.440 10.866) 13.994 0.872 ( 2.774 5.016 10.896) 12.311 0.966 ( -2.338 4.420 -7.830) 9.290 1.049 ( 0.625 6.174 -2.420) 6.661 1.325 ( -0.988 -3.880 0.677) 4.060 1.424 ( -1.133 0.889 -0.939) 1.719 1.578 ( -2.029 1.222 -2.085) 3.155 1.708 ( 3.233 6.544 2.215) 7.628 1.842 ( 2.601 -1.086 -0.508) 2.864 1.921 ( 0.441 -3.534 1.832) 4.005 1.987 ( -6.359 -0.247 -1.122) 6.462 2.012 ( 3.515 -1.346 -0.435) 3.789 2.086 ( -0.832 5.167 -0.728) 5.284 2.180 ( -2.542 5.181 0.019) 5.771 2.281 ( 0.963 5.821 -6.470) 8.756 2.477 ( 0.481 0.344 -2.569) 2.636 2.810 ( 1.582 -5.499 3.191) 6.552 2.905 ( -0.441 -0.361 2.925) 2.980 3.037 ( 1.459 -2.195 -4.486) 5.202 3.482 ( -1.356 -0.588 1.446) 2.067 4.052 ( 2.476 33.321 -8.403) 34.453 5.081 ( 0.350 -8.305 0.147) 8.313 6.799 ( -2.110 -30.463 4.243) 30.829 9.155 ( -0.421 0.382 0.479) 0.743 9.300 ( 1.854 18.054 -3.297) 18.445 9.729 ( -3.854 2.123 -4.716) 6.450 9.986 ( -8.456 -3.926 -0.854) 9.361 10.307 ( 3.720 -0.455 1.257) 3.953 10.658 ( 6.869 -3.841 7.046) 10.563 ======================= Grid point 308 (134/242) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 5.225 -0.000 9.452) 10.800 0.573 ( -0.511 0.000 11.954) 11.965 0.852 ( 1.048 -0.000 -5.935) 6.027 0.957 ( 0.478 -0.000 -3.012) 3.049 1.085 ( 12.835 -0.000 6.795) 14.523 1.358 ( -3.453 0.000 -1.051) 3.609 1.401 ( -0.967 0.000 -0.043) 0.968 1.533 ( -2.707 0.000 -1.096) 2.920 1.614 ( -0.910 0.000 -0.592) 1.086 1.781 ( -10.363 0.000 0.985) 10.410 1.914 ( -2.953 0.000 2.498) 3.868 1.931 ( -2.413 0.000 1.280) 2.732 2.004 ( 0.203 -0.000 -0.530) 0.567 2.056 ( 2.169 -0.000 -1.447) 2.607 2.193 ( 8.589 -0.000 -4.549) 9.719 2.198 ( 1.462 -0.000 -0.170) 1.472 2.474 ( -0.378 0.000 -3.144) 3.167 2.880 ( -1.590 0.000 4.053) 4.354 2.959 ( -1.396 0.000 -0.724) 1.572 3.082 ( 2.829 -0.000 -4.732) 5.513 3.530 ( 0.757 -0.000 2.133) 2.263 3.592 ( 0.024 -0.000 0.002) 0.024 5.226 ( 7.120 -0.000 -2.619) 7.586 7.034 ( -15.252 0.000 5.978) 16.381 9.057 ( 0.181 -0.000 -0.385) 0.426 9.148 ( -0.097 0.000 0.336) 0.350 9.619 ( -3.030 0.000 1.610) 3.432 9.963 ( -2.131 0.000 3.509) 4.105 10.316 ( -1.765 0.000 0.133) 1.770 10.857 ( 7.903 -0.000 -3.716) 8.733 ======================= Grid point 309 (135/242) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( -0.240 -5.276 9.047) 10.476 0.686 ( 6.422 -5.456 8.909) 12.263 0.880 ( 2.078 -3.182 -7.188) 8.131 0.998 ( -1.238 -5.219 -8.003) 9.634 1.160 ( 9.312 1.389 6.651) 11.527 1.302 ( 0.731 1.798 -1.355) 2.367 1.409 ( -1.214 -2.262 4.064) 4.807 1.519 ( -0.628 -2.427 -1.221) 2.788 1.718 ( -7.134 -5.268 0.374) 8.876 1.728 ( -5.261 -2.003 -0.264) 5.636 1.876 ( -3.116 1.016 1.573) 3.636 1.979 ( -2.341 -1.936 1.439) 3.362 2.053 ( 0.687 -3.047 -1.674) 3.544 2.062 ( 2.080 -2.763 0.453) 3.488 2.193 ( 3.559 0.013 -0.926) 3.678 2.303 ( 5.157 -5.641 -3.544) 8.425 2.457 ( -1.408 -0.044 -1.901) 2.367 2.849 ( -0.383 5.040 2.496) 5.638 2.905 ( -1.593 0.969 -0.156) 1.871 3.021 ( 1.305 2.844 -3.315) 4.559 3.484 ( 0.077 0.974 1.762) 2.015 3.999 ( -0.792 -29.315 -3.955) 29.591 5.167 ( 7.356 9.328 -2.966) 12.245 6.695 ( -10.616 23.464 7.634) 26.862 9.156 ( 0.025 -0.327 0.526) 0.620 9.255 ( -2.790 -16.263 -1.283) 16.551 9.650 ( -1.036 -4.016 2.153) 4.673 9.923 ( -0.922 4.118 3.890) 5.739 10.310 ( -2.299 -0.589 -0.524) 2.430 10.820 ( 5.147 6.042 -3.636) 8.730 ======================= Grid point 310 (136/242) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -2.694 -7.461 6.495) 10.252 0.850 ( 6.728 -5.200 5.324) 10.033 0.931 ( 3.034 -2.410 -7.226) 8.199 1.087 ( -3.250 -7.272 -7.831) 11.170 1.168 ( -0.030 0.308 6.029) 6.037 1.351 ( 5.652 -3.913 -2.524) 7.323 1.451 ( -4.073 -1.718 3.777) 5.815 1.605 ( 2.024 -5.349 0.921) 5.793 1.716 ( -3.756 -1.598 0.959) 4.193 1.789 ( -5.437 -3.081 -0.848) 6.306 1.876 ( -1.812 -1.358 0.717) 2.376 1.977 ( -1.042 -0.710 -2.148) 2.491 2.073 ( 2.062 -1.451 -0.601) 2.593 2.187 ( 2.881 -2.056 -0.137) 3.542 2.220 ( 1.863 -3.875 -0.473) 4.326 2.439 ( 3.652 -6.461 -2.395) 7.799 2.474 ( -1.869 -2.944 0.564) 3.532 2.754 ( 0.565 3.971 -0.465) 4.038 2.894 ( -1.795 0.505 1.256) 2.249 3.000 ( -0.187 -1.235 -0.241) 1.272 3.480 ( 0.124 -0.157 0.664) 0.694 4.524 ( -2.661 -24.865 -4.105) 25.342 4.942 ( 6.356 16.507 -2.560) 17.873 6.214 ( -4.586 21.906 4.408) 22.811 9.142 ( 0.144 2.266 0.701) 2.376 9.517 ( -4.492 -12.028 -0.565) 12.852 9.769 ( 0.651 -7.316 1.392) 7.475 9.829 ( -0.148 5.745 4.737) 7.448 10.311 ( -2.603 -1.107 -1.871) 3.392 10.692 ( 1.457 7.394 -2.296) 7.878 ======================= Grid point 311 (137/242) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -1.269 -1.601 -0.444) 2.090 0.969 ( -1.436 -5.317 -0.182) 5.511 1.007 ( 4.833 -3.140 2.730) 6.377 1.179 ( -3.328 -4.445 2.178) 5.965 1.230 ( -2.256 -7.436 -3.059) 8.351 1.416 ( -0.443 -0.751 -1.804) 2.003 1.484 ( -2.997 -3.323 3.363) 5.598 1.685 ( -0.135 -2.883 -1.459) 3.234 1.722 ( -3.482 2.011 -1.782) 4.398 1.804 ( 0.692 -2.134 -1.035) 2.470 1.897 ( 0.432 -1.889 -1.444) 2.417 2.025 ( 3.368 -3.238 -1.120) 4.805 2.140 ( 0.841 -4.898 -0.299) 4.978 2.204 ( 5.535 0.728 1.838) 5.878 2.305 ( -0.252 -2.795 -0.577) 2.865 2.520 ( -2.193 -3.225 -0.605) 3.946 2.567 ( 2.621 -3.563 -1.784) 4.770 2.710 ( 0.958 0.888 0.215) 1.323 2.878 ( -1.270 0.008 0.659) 1.431 3.062 ( -2.514 -5.051 4.902) 7.474 3.502 ( 0.498 -2.251 -1.447) 2.722 4.497 ( 3.676 25.570 -0.632) 25.841 4.968 ( -2.512 -17.332 -3.834) 17.928 5.861 ( -1.855 13.528 1.243) 13.711 9.073 ( 0.093 4.905 0.276) 4.913 9.613 ( -2.065 2.170 1.891) 3.542 9.787 ( -1.171 -2.789 4.318) 5.272 9.908 ( 0.577 -5.672 1.025) 5.793 10.314 ( -2.462 -1.191 -2.803) 3.916 10.575 ( -0.940 3.588 -2.442) 4.440 ======================= Grid point 312 (138/242) ======================= q-point: ( 0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -0.714 -0.723 -0.459) 1.115 0.992 ( -5.179 0.050 0.072) 5.180 1.100 ( 1.627 -3.171 1.934) 4.055 1.270 ( -2.219 -5.326 2.956) 6.483 1.347 ( -5.438 -3.522 -4.072) 7.652 1.392 ( -0.794 -2.348 -1.506) 2.900 1.565 ( -0.866 -4.896 1.548) 5.207 1.645 ( -1.199 2.818 -1.527) 3.422 1.709 ( 0.037 0.597 -1.961) 2.050 1.829 ( 2.699 0.407 -1.869) 3.308 1.919 ( 1.910 -0.247 -5.241) 5.583 2.119 ( 4.751 -3.049 2.300) 6.096 2.221 ( 7.097 0.587 1.439) 7.265 2.253 ( -0.792 -4.235 1.187) 4.470 2.343 ( -1.569 -3.309 0.046) 3.662 2.554 ( -1.435 -1.499 -0.929) 2.274 2.587 ( -0.091 0.540 -2.755) 2.809 2.709 ( 1.115 0.771 -0.111) 1.360 2.887 ( -0.699 -0.785 1.121) 1.537 3.182 ( -3.676 -6.894 8.357) 11.441 3.565 ( 1.233 -4.181 -3.468) 5.571 3.967 ( 1.967 28.263 -0.496) 28.335 5.224 ( -2.418 -11.300 -2.933) 11.923 5.665 ( -1.021 6.733 0.037) 6.810 8.971 ( 0.055 5.281 -0.386) 5.296 9.513 ( -1.096 5.853 3.186) 6.754 9.857 ( -0.831 -1.908 4.642) 5.087 10.006 ( -1.166 -4.780 1.955) 5.294 10.319 ( -1.539 -1.339 -3.175) 3.774 10.531 ( -0.764 0.271 -4.166) 4.245 ======================= Grid point 313 (139/242) ======================= q-point: ( 0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -0.467 -0.169 0.282) 0.571 0.961 ( -4.343 -0.686 0.077) 4.398 1.129 ( -0.852 0.349 -1.307) 1.599 1.307 ( -2.532 0.062 -0.824) 2.664 1.359 ( -0.935 -3.076 0.312) 3.230 1.490 ( -0.737 -4.575 -0.316) 4.645 1.592 ( -0.299 1.926 -0.135) 1.954 1.635 ( 0.775 -0.213 -0.723) 1.081 1.682 ( 0.032 -0.701 -1.837) 1.967 1.820 ( 3.540 1.312 -1.961) 4.255 1.913 ( 0.149 -0.180 -5.781) 5.786 2.129 ( 5.517 5.119 2.418) 7.904 2.265 ( 0.567 -2.609 -0.665) 2.752 2.312 ( 1.209 -1.611 4.333) 4.778 2.430 ( -1.027 -5.028 0.371) 5.145 2.553 ( 1.040 1.290 -3.574) 3.939 2.569 ( -2.011 -0.467 -0.051) 2.065 2.685 ( 0.287 1.547 -1.145) 1.946 2.894 ( -0.782 -0.018 2.035) 2.180 3.302 ( -3.760 -4.756 8.716) 10.617 3.516 ( 0.748 16.733 -0.343) 16.753 3.644 ( 1.791 -3.159 -4.513) 5.792 5.369 ( -0.973 -5.611 -2.712) 6.307 5.571 ( -0.664 2.875 0.124) 2.953 8.885 ( 0.223 3.199 -0.881) 3.325 9.423 ( -1.061 3.413 3.036) 4.690 9.873 ( -1.565 0.265 4.953) 5.201 10.093 ( -1.744 -4.032 4.139) 6.036 10.330 ( -0.123 -1.045 -3.789) 3.932 10.513 ( 0.632 0.649 -5.144) 5.223 ======================= Grid point 314 (140/242) ======================= q-point: (-0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.389 -1.048 -0.808) 1.380 1.001 ( -1.619 -4.733 1.566) 5.242 1.107 ( 2.039 1.042 -2.046) 3.071 1.297 ( -0.603 0.354 -0.760) 1.033 1.395 ( 0.228 -1.387 -0.194) 1.419 1.540 ( 0.152 -1.804 0.810) 1.983 1.560 ( -0.272 0.656 0.105) 0.718 1.645 ( 0.445 -0.256 -1.145) 1.255 1.686 ( 0.894 1.118 -0.966) 1.727 1.814 ( 2.488 0.512 -3.303) 4.167 1.892 ( -0.005 1.584 -3.683) 4.009 2.074 ( 1.067 0.909 -0.439) 1.469 2.278 ( -1.832 1.290 0.826) 2.388 2.347 ( 0.380 -0.166 3.426) 3.451 2.495 ( -1.084 -2.205 0.726) 2.562 2.529 ( 0.623 0.773 -4.536) 4.643 2.559 ( 0.631 1.532 1.804) 2.450 2.675 ( 0.720 -1.152 -1.963) 2.387 2.892 ( -0.946 0.273 2.364) 2.561 3.344 ( -1.837 -0.352 3.825) 4.258 3.359 ( -1.913 0.565 4.370) 4.804 3.679 ( 2.195 -0.184 -4.691) 5.182 5.424 ( 0.899 -0.954 -2.648) 2.955 5.544 ( -0.049 -0.063 0.714) 0.718 8.855 ( 0.506 -0.287 -1.127) 1.268 9.392 ( -1.222 -0.192 2.624) 2.901 9.868 ( -2.331 0.246 4.807) 5.348 10.158 ( -1.684 -2.380 5.432) 6.165 10.331 ( 1.001 0.381 -4.922) 5.037 10.484 ( 2.217 1.868 -3.555) 4.587 ======================= Grid point 315 (141/242) ======================= q-point: (-0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.200 -0.696 -0.981) 1.219 1.065 ( 0.170 0.328 0.615) 0.718 1.157 ( 5.855 -5.444 -0.879) 8.043 1.276 ( -0.397 1.447 0.065) 1.502 1.413 ( 1.644 1.113 0.479) 2.042 1.535 ( 1.345 2.485 -2.649) 3.873 1.591 ( 0.016 -0.482 2.483) 2.530 1.632 ( 0.894 -1.512 1.169) 2.110 1.656 ( -0.584 1.813 -0.856) 2.088 1.814 ( 1.202 0.104 -1.201) 1.702 1.837 ( 1.389 2.591 -4.103) 5.047 2.112 ( -3.243 -4.750 -3.470) 6.717 2.200 ( -2.929 5.176 0.116) 5.948 2.339 ( -1.032 1.276 2.592) 3.068 2.456 ( 0.136 5.158 -2.447) 5.710 2.540 ( 0.549 -2.282 -0.187) 2.355 2.560 ( 1.643 -0.192 0.973) 1.919 2.709 ( 0.969 -1.568 -1.793) 2.571 2.886 ( -0.886 0.526 2.363) 2.578 3.304 ( -4.255 4.597 8.515) 10.571 3.502 ( -0.261 -15.222 0.042) 15.224 3.652 ( 2.423 2.349 -4.737) 5.816 5.405 ( 2.393 3.199 -2.674) 4.807 5.573 ( 0.555 -2.567 1.028) 2.821 8.894 ( 0.547 -3.564 -1.097) 3.768 9.429 ( -1.508 -3.630 2.301) 4.555 9.864 ( -2.657 -0.060 4.064) 4.856 10.182 ( -2.060 0.569 2.334) 3.165 10.300 ( 2.422 2.085 -3.296) 4.591 10.462 ( 3.540 1.395 0.251) 3.813 ======================= Grid point 316 (142/242) ======================= q-point: (-0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 1.277 4.459 -0.105) 4.639 1.046 ( -0.451 1.085 -1.579) 1.968 1.200 ( 2.376 5.281 -0.470) 5.810 1.277 ( 0.184 -0.158 1.178) 1.202 1.341 ( 1.650 6.148 0.330) 6.375 1.495 ( 3.788 1.221 -2.214) 4.554 1.599 ( -3.240 1.679 1.655) 4.006 1.619 ( 0.947 -0.903 1.939) 2.340 1.683 ( 1.728 -0.266 2.920) 3.404 1.790 ( -1.410 0.232 2.860) 3.197 1.843 ( 5.375 -1.675 -8.090) 9.856 2.059 ( -2.988 6.703 1.244) 7.444 2.173 ( -4.431 -3.465 -5.986) 8.214 2.304 ( -1.605 2.889 1.139) 3.496 2.341 ( 0.740 5.076 -1.645) 5.387 2.562 ( 1.860 1.467 -0.001) 2.369 2.586 ( 0.721 -1.832 -0.484) 2.027 2.719 ( 0.060 0.582 -1.637) 1.738 2.874 ( -0.296 0.745 2.208) 2.349 3.190 ( -3.982 6.380 7.630) 10.713 3.569 ( 1.733 3.973 -3.166) 5.368 3.936 ( -0.447 -26.305 -0.353) 26.311 5.300 ( 3.012 8.848 -4.114) 10.212 5.663 ( 0.597 -6.569 1.596) 6.787 8.981 ( 0.128 -5.207 -0.724) 5.259 9.521 ( -1.666 -5.960 2.286) 6.597 9.857 ( -2.636 0.493 2.572) 3.716 10.103 ( -1.725 5.558 -4.833) 7.565 10.293 ( 3.530 0.481 3.034) 4.680 10.468 ( 3.509 0.373 3.173) 4.746 ======================= Grid point 317 (143/242) ======================= q-point: (-0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 2.210 7.431 3.002) 8.314 1.010 ( -0.809 1.468 -3.685) 4.048 1.038 ( -0.362 11.377 3.942) 12.046 1.208 ( -0.910 5.853 -0.186) 5.926 1.263 ( 3.184 3.350 -2.449) 5.230 1.425 ( -1.698 6.837 -1.904) 7.298 1.551 ( -3.283 2.537 1.368) 4.369 1.620 ( 0.271 1.489 3.068) 3.421 1.746 ( 4.980 -3.448 4.030) 7.276 1.810 ( -1.669 -2.008 2.547) 3.648 1.897 ( 4.101 -0.133 -5.850) 7.146 1.941 ( 1.399 2.590 1.358) 3.241 2.130 ( -1.958 5.587 -1.885) 6.213 2.240 ( -4.260 -1.014 -6.251) 7.632 2.283 ( 1.000 3.256 0.954) 3.537 2.507 ( 1.072 5.262 0.691) 5.414 2.595 ( -0.036 1.874 -3.248) 3.750 2.694 ( 0.165 0.200 0.018) 0.260 2.878 ( 0.093 -0.764 1.932) 2.079 3.075 ( -2.413 4.851 3.922) 6.689 3.505 ( 0.770 2.434 -1.417) 2.920 4.444 ( -0.324 -24.788 -0.121) 24.790 5.059 ( 2.410 16.736 -7.054) 18.321 5.864 ( -0.023 -14.325 2.837) 14.604 9.077 ( -0.456 -4.548 -0.031) 4.571 9.635 ( -0.805 -5.210 1.911) 5.608 9.812 ( -2.376 3.518 0.995) 4.360 9.962 ( -2.443 5.808 -5.496) 8.361 10.315 ( 3.880 0.321 2.203) 4.474 10.508 ( 2.949 -1.954 5.588) 6.613 ======================= Grid point 318 (144/242) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 2.971 7.661 7.533) 11.147 0.814 ( -3.570 11.317 6.329) 13.449 0.976 ( 1.971 1.223 -4.207) 4.804 1.069 ( 1.786 8.399 1.523) 8.721 1.188 ( 0.564 6.882 -2.832) 7.463 1.293 ( -1.354 2.163 -1.988) 3.235 1.469 ( -1.869 4.177 2.828) 5.379 1.594 ( -1.730 1.625 0.305) 2.393 1.821 ( -0.437 1.577 1.474) 2.203 1.834 ( 0.727 0.229 0.060) 0.765 1.859 ( -0.128 -2.098 2.828) 3.523 1.984 ( 1.399 -0.116 -2.643) 2.993 2.017 ( 2.665 2.594 0.554) 3.760 2.201 ( 0.371 5.148 0.536) 5.189 2.227 ( -4.158 0.863 -4.596) 6.257 2.391 ( 2.605 6.632 -2.452) 7.535 2.511 ( -1.062 3.959 -2.194) 4.649 2.735 ( 1.104 -3.456 0.728) 3.700 2.902 ( -0.572 -0.750 2.520) 2.691 3.013 ( -0.188 0.838 -1.411) 1.652 3.478 ( -0.387 0.496 0.399) 0.745 4.631 ( 0.770 26.567 -9.528) 28.235 4.847 ( 2.037 -16.548 -0.459) 16.679 6.246 ( -2.273 -24.758 5.004) 25.361 9.140 ( -0.564 -2.048 0.557) 2.196 9.598 ( 0.625 11.192 -2.083) 11.401 9.757 ( -1.312 2.049 -0.726) 2.539 9.869 ( -6.349 -1.934 -0.822) 6.688 10.328 ( 2.368 0.495 0.642) 2.503 10.612 ( 4.447 -5.175 5.272) 8.622 ======================= Grid point 321 (145/242) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 3.635 -0.000 9.661) 10.323 0.673 ( 7.447 -0.000 6.062) 9.603 0.852 ( 3.716 -0.000 -3.688) 5.236 0.918 ( -0.570 0.000 -9.852) 9.869 1.259 ( 12.397 -0.000 3.594) 12.907 1.333 ( -0.973 0.000 1.869) 2.107 1.387 ( -1.783 0.000 0.367) 1.821 1.500 ( -3.551 0.000 1.233) 3.759 1.584 ( -3.409 0.000 -1.941) 3.923 1.677 ( -9.097 0.000 1.845) 9.282 1.896 ( -2.969 0.000 2.710) 4.020 1.906 ( -3.326 0.000 1.129) 3.513 2.009 ( 0.936 -0.000 0.074) 0.939 2.079 ( 2.907 -0.000 -0.729) 2.997 2.215 ( 1.837 -0.000 -0.231) 1.852 2.261 ( 6.961 -0.000 -3.264) 7.688 2.440 ( -3.011 0.000 -2.457) 3.886 2.883 ( -1.370 0.000 3.375) 3.642 2.925 ( -3.181 0.000 -1.732) 3.622 3.093 ( 3.772 -0.000 -4.783) 6.091 3.550 ( 1.099 -0.000 1.612) 1.951 3.593 ( 0.114 -0.000 0.073) 0.135 5.293 ( 7.994 -0.000 -4.069) 8.971 6.902 ( -16.070 0.000 9.703) 18.773 9.057 ( 0.206 -0.000 -0.359) 0.414 9.148 ( -0.063 0.000 0.325) 0.331 9.612 ( -1.283 0.000 3.849) 4.057 9.971 ( 0.033 -0.000 3.766) 3.766 10.289 ( -3.038 0.000 -0.581) 3.093 10.901 ( 5.433 -0.000 -6.503) 8.474 ======================= Grid point 322 (146/242) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 3.052 -2.769 7.306) 8.388 0.796 ( 7.135 -5.334 4.157) 9.831 0.881 ( 3.446 -2.114 -5.320) 6.682 0.947 ( 0.634 -4.463 -7.272) 8.556 1.250 ( 1.821 5.802 4.110) 7.340 1.317 ( 4.007 -1.498 -3.706) 5.660 1.411 ( -2.518 -1.405 3.647) 4.649 1.517 ( -0.638 -4.088 0.675) 4.193 1.643 ( -5.214 -4.143 1.593) 6.848 1.680 ( -3.883 -4.537 -0.176) 5.974 1.851 ( -2.902 0.883 1.662) 3.459 1.943 ( -3.835 -1.951 -0.540) 4.336 2.059 ( 0.887 -4.059 -0.099) 4.156 2.091 ( 2.407 -0.993 0.672) 2.689 2.228 ( 3.284 -0.440 -0.233) 3.321 2.342 ( 4.159 -5.109 -2.130) 6.923 2.423 ( -3.130 -0.807 -0.972) 3.375 2.848 ( -0.946 5.081 -0.653) 5.209 2.886 ( -1.766 -0.295 1.226) 2.170 3.024 ( 2.283 3.820 -3.083) 5.414 3.496 ( 0.366 1.298 1.859) 2.297 3.974 ( -0.734 -27.306 -2.513) 27.431 5.231 ( 7.399 9.503 -3.745) 12.612 6.619 ( -10.668 20.018 8.012) 24.057 9.159 ( 0.183 -0.527 0.503) 0.751 9.222 ( -2.495 -14.160 -0.191) 14.379 9.658 ( -0.625 -4.378 3.605) 5.706 9.943 ( 0.621 4.021 4.472) 6.046 10.273 ( -3.421 -0.484 -1.760) 3.877 10.841 ( 3.460 6.681 -5.915) 9.570 ======================= Grid point 323 (147/242) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.621 -4.405 5.404) 6.999 0.910 ( 4.531 -2.378 -6.884) 8.577 0.963 ( 4.450 -5.187 0.834) 6.885 1.035 ( 1.043 -5.431 -3.706) 6.657 1.190 ( -1.214 1.417 5.714) 6.011 1.374 ( 0.035 -2.721 -2.373) 3.610 1.420 ( -4.486 -1.790 3.137) 5.759 1.610 ( 0.061 -4.723 -1.916) 5.097 1.694 ( -5.664 -2.138 -1.592) 6.260 1.745 ( 1.627 -3.848 2.870) 5.069 1.855 ( -2.072 -1.714 0.070) 2.689 1.959 ( -0.118 -3.493 -2.394) 4.236 2.090 ( 1.153 -0.671 0.129) 1.340 2.206 ( 0.779 -6.477 -0.312) 6.531 2.254 ( 4.018 0.123 0.687) 4.078 2.443 ( -2.290 -2.968 0.127) 3.751 2.477 ( 2.913 -6.655 -0.601) 7.290 2.755 ( 0.411 3.516 -1.376) 3.798 2.881 ( -1.732 0.570 1.556) 2.397 2.997 ( -0.094 -1.080 -0.206) 1.103 3.485 ( 0.202 0.285 0.804) 0.876 4.482 ( -1.903 -24.802 -2.855) 25.038 4.995 ( 5.680 17.677 -2.472) 18.731 6.183 ( -4.816 20.445 3.651) 21.319 9.149 ( 0.350 2.353 0.687) 2.476 9.474 ( -3.506 -12.378 0.666) 12.882 9.777 ( -0.699 -5.970 2.178) 6.393 9.864 ( 1.222 4.535 5.892) 7.535 10.264 ( -3.323 -1.225 -3.473) 4.961 10.682 ( 0.304 8.357 -4.772) 9.628 ======================= Grid point 324 (148/242) ======================= q-point: ( 0.42 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -1.416 -1.622 0.929) 2.345 0.943 ( -1.465 -1.632 -3.793) 4.382 1.084 ( 5.768 -2.547 3.098) 7.026 1.133 ( -3.231 -6.788 -3.431) 8.264 1.219 ( -1.048 -3.896 3.809) 5.549 1.382 ( -3.834 0.463 -1.534) 4.156 1.460 ( -4.466 -4.406 2.034) 6.595 1.660 ( -2.686 -0.618 -2.530) 3.741 1.696 ( 1.841 -1.724 -0.901) 2.678 1.822 ( 1.724 -1.621 -0.500) 2.418 1.900 ( 1.929 -2.776 -2.356) 4.121 2.058 ( 3.156 -5.018 -0.664) 5.965 2.140 ( -0.724 -5.134 0.588) 5.218 2.274 ( 4.817 0.235 2.506) 5.435 2.294 ( -0.454 -2.399 -1.448) 2.839 2.493 ( -2.692 -3.082 0.121) 4.094 2.585 ( 2.900 -1.808 -2.848) 4.449 2.723 ( 1.185 0.022 0.431) 1.261 2.865 ( -1.537 -0.300 0.507) 1.646 3.061 ( -2.485 -5.239 5.208) 7.794 3.500 ( 0.528 -1.951 -1.382) 2.449 4.537 ( 4.359 26.465 -0.834) 26.834 4.920 ( -3.078 -17.210 -2.967) 17.733 5.844 ( -2.097 13.031 0.633) 13.213 9.076 ( 0.240 5.177 0.289) 5.191 9.603 ( -1.671 0.319 2.404) 2.945 9.799 ( -0.960 -2.390 4.647) 5.313 9.925 ( 0.429 -4.443 3.058) 5.411 10.268 ( -2.538 -1.763 -4.242) 5.248 10.541 ( -1.816 3.821 -5.085) 6.615 ======================= Grid point 325 (149/242) ======================= q-point: ( 0.50 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.296 -0.882 -0.656) 1.138 0.929 ( -5.766 -0.269 -0.752) 5.821 1.129 ( 0.999 0.032 1.455) 1.765 1.248 ( -2.690 -6.616 -1.509) 7.300 1.282 ( -3.151 -1.503 -0.858) 3.595 1.383 ( -0.106 -4.370 0.679) 4.424 1.537 ( -3.500 -4.867 -0.637) 6.029 1.654 ( 2.171 0.391 -0.252) 2.220 1.710 ( 1.778 1.882 -1.288) 2.891 1.843 ( 0.947 -0.377 -0.221) 1.043 1.921 ( 3.228 0.889 -5.693) 6.605 2.171 ( 3.101 -4.472 1.254) 5.585 2.248 ( -0.441 -2.520 1.094) 2.782 2.303 ( 5.838 -0.313 1.264) 5.981 2.320 ( -2.518 -3.562 0.509) 4.391 2.526 ( -3.037 -2.086 -0.276) 3.695 2.578 ( 1.516 1.550 -4.024) 4.571 2.720 ( 0.828 1.614 0.174) 1.822 2.884 ( -0.810 -1.312 0.973) 1.823 3.185 ( -3.462 -7.008 8.493) 11.543 3.561 ( 1.335 -4.221 -3.493) 5.639 3.986 ( 1.961 29.292 -0.479) 29.362 5.185 ( -2.055 -11.910 -2.832) 12.414 5.653 ( -1.148 6.470 -0.290) 6.578 8.970 ( 0.181 5.456 -0.364) 5.472 9.519 ( -1.021 5.810 3.555) 6.887 9.872 ( -0.701 -1.785 4.613) 4.996 10.008 ( -1.298 -4.392 4.117) 6.158 10.285 ( -1.101 -2.117 -4.378) 4.986 10.493 ( -1.264 -0.550 -6.368) 6.515 ======================= Grid point 326 (150/242) ======================= q-point: ( 0.58 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.161 -0.431 0.428) 0.628 0.920 ( -2.679 -2.276 -0.336) 3.532 1.114 ( -1.177 0.435 -0.927) 1.560 1.288 ( -0.402 -0.687 -0.414) 0.897 1.339 ( -2.508 -4.295 -0.622) 5.012 1.487 ( 0.066 -4.533 0.504) 4.562 1.586 ( -0.484 -0.778 -0.273) 0.956 1.640 ( 0.861 2.445 -0.981) 2.771 1.673 ( 0.358 -0.561 -2.481) 2.569 1.846 ( 2.390 1.187 -0.876) 2.809 1.893 ( 1.515 1.489 -5.654) 6.039 2.192 ( 3.500 5.572 2.210) 6.941 2.262 ( -0.409 -2.321 0.533) 2.417 2.349 ( 1.613 -0.819 2.947) 3.458 2.417 ( -1.805 -5.308 0.645) 5.643 2.536 ( -0.339 0.380 -3.205) 3.245 2.559 ( 0.375 -0.917 -1.567) 1.854 2.683 ( 0.011 1.973 -0.545) 2.047 2.896 ( -0.780 -0.105 2.045) 2.192 3.306 ( -3.654 -4.571 8.650) 10.444 3.522 ( 0.693 17.258 -0.330) 17.276 3.641 ( 1.929 -3.371 -4.469) 5.921 5.347 ( -0.485 -6.502 -2.741) 7.073 5.564 ( -0.688 2.447 -0.045) 2.543 8.883 ( 0.324 3.191 -0.871) 3.323 9.427 ( -1.035 3.611 3.201) 4.935 9.879 ( -1.843 0.717 4.877) 5.262 10.100 ( -1.468 -4.146 5.684) 7.187 10.309 ( 0.268 -1.599 -4.643) 4.918 10.490 ( 0.449 -0.656 -6.293) 6.343 ======================= Grid point 327 (151/242) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.447 -0.815 -0.430) 1.024 0.997 ( -1.004 -5.343 2.168) 5.853 1.127 ( 3.196 -1.643 -1.489) 3.890 1.291 ( 0.199 0.319 -0.745) 0.835 1.389 ( -1.199 -2.467 -0.017) 2.743 1.547 ( 0.475 -2.462 0.568) 2.571 1.561 ( 0.297 1.030 0.050) 1.073 1.642 ( 0.114 -0.540 -1.083) 1.216 1.684 ( 0.045 0.119 -1.783) 1.787 1.819 ( 1.315 1.343 -3.086) 3.614 1.856 ( -1.035 0.694 -5.988) 6.116 2.110 ( 3.745 4.698 2.324) 6.442 2.262 ( -2.156 2.127 1.056) 3.208 2.359 ( -0.598 0.661 2.128) 2.307 2.490 ( -0.807 -3.157 1.474) 3.577 2.512 ( 0.540 1.447 -4.549) 4.804 2.574 ( 0.648 0.307 1.069) 1.287 2.672 ( 0.674 -1.516 -1.852) 2.486 2.895 ( -0.847 0.309 2.381) 2.546 3.345 ( -1.710 -0.200 4.070) 4.419 3.360 ( -1.966 0.738 4.159) 4.659 3.679 ( 2.217 -0.273 -4.681) 5.186 5.421 ( 0.929 -1.805 -2.343) 3.101 5.546 ( -0.124 -0.601 0.375) 0.719 8.855 ( 0.501 -0.345 -1.129) 1.283 9.392 ( -1.207 0.073 2.631) 2.896 9.866 ( -2.441 0.539 4.761) 5.377 10.167 ( -1.864 -1.954 5.486) 6.115 10.319 ( 1.410 -0.082 -4.667) 4.876 10.489 ( 2.087 0.043 -3.825) 4.357 ======================= Grid point 328 (152/242) ======================= q-point: (-0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -0.418 -0.627 -0.370) 0.839 1.062 ( -1.026 -0.576 0.441) 1.257 1.211 ( 3.779 -4.426 -0.475) 5.839 1.273 ( 0.814 1.553 -0.558) 1.841 1.423 ( -0.166 -0.398 0.421) 0.603 1.541 ( 1.394 2.167 -1.338) 2.903 1.611 ( 1.587 -1.329 2.176) 3.003 1.630 ( -0.544 1.567 -1.086) 1.982 1.655 ( -0.466 -1.146 2.142) 2.474 1.820 ( 1.364 -0.885 -2.588) 3.056 1.828 ( 1.025 0.805 -5.401) 5.556 2.080 ( 0.447 -0.437 -1.864) 1.966 2.169 ( -3.199 5.729 0.112) 6.562 2.338 ( -1.197 1.340 2.138) 2.793 2.442 ( -0.007 4.770 -3.055) 5.665 2.545 ( 0.421 -2.413 0.037) 2.449 2.583 ( 1.213 -0.343 1.571) 2.015 2.708 ( 0.725 -1.423 -2.226) 2.740 2.889 ( -0.781 0.445 2.338) 2.505 3.301 ( -4.204 4.724 8.605) 10.679 3.501 ( 0.014 -15.050 0.078) 15.050 3.654 ( 2.267 2.295 -4.737) 5.731 5.415 ( 1.568 2.787 -2.251) 3.911 5.581 ( 0.271 -2.923 0.584) 2.993 8.893 ( 0.404 -3.523 -1.080) 3.707 9.424 ( -1.434 -3.434 2.271) 4.360 9.857 ( -2.461 0.254 4.199) 4.873 10.162 ( -2.424 2.312 -0.006) 3.349 10.318 ( 2.477 0.079 -0.551) 2.539 10.497 ( 2.889 0.048 -0.285) 2.904 ======================= Grid point 329 (153/242) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.257 2.687 0.114) 2.702 1.032 ( -0.305 2.407 -1.769) 3.003 1.223 ( -0.367 6.358 0.202) 6.372 1.236 ( -3.617 1.245 0.555) 3.865 1.383 ( 3.702 3.840 -0.188) 5.337 1.507 ( 0.548 2.241 -2.797) 3.626 1.570 ( -3.480 2.617 2.105) 4.836 1.661 ( 3.736 -0.510 2.628) 4.596 1.712 ( 0.803 -3.062 2.494) 4.030 1.795 ( -0.682 1.100 3.253) 3.501 1.874 ( 7.390 -2.729 -7.325) 10.757 2.035 ( -2.125 5.872 0.281) 6.251 2.101 ( -2.707 -2.694 -5.684) 6.848 2.288 ( -1.671 4.910 -0.307) 5.195 2.344 ( 0.727 3.363 -0.336) 3.457 2.580 ( 2.068 0.457 -2.157) 3.023 2.589 ( -0.466 -0.220 1.951) 2.018 2.710 ( 0.072 0.777 -1.929) 2.081 2.882 ( -0.373 0.452 1.998) 2.082 3.186 ( -3.990 6.475 7.813) 10.904 3.571 ( 1.617 3.965 -3.212) 5.353 3.933 ( 0.288 -26.154 -0.353) 26.157 5.303 ( 1.278 9.209 -3.690) 10.002 5.674 ( 0.129 -6.774 1.168) 6.875 8.979 ( 0.006 -5.090 -0.646) 5.131 9.515 ( -1.497 -5.997 2.287) 6.591 9.844 ( -2.261 1.013 3.098) 3.967 10.064 ( -1.605 5.789 -3.602) 7.004 10.336 ( 2.131 -0.190 1.579) 2.659 10.515 ( 2.474 -0.273 2.453) 3.494 ======================= Grid point 330 (154/242) ======================= q-point: (-0.08 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 3.243 5.631 3.184) 7.236 0.974 ( -1.798 2.803 -3.182) 4.606 1.035 ( -3.013 9.744 1.640) 10.330 1.184 ( -2.378 2.828 2.449) 4.433 1.313 ( 4.651 6.108 -3.127) 8.290 1.392 ( -0.612 7.191 -2.985) 7.810 1.522 ( -3.863 1.745 2.987) 5.186 1.646 ( 2.102 3.303 2.273) 4.528 1.782 ( -3.621 -2.106 1.393) 4.415 1.816 ( 2.536 -2.109 3.116) 4.538 1.901 ( 1.155 2.323 -2.014) 3.285 1.983 ( 4.465 -0.457 -1.242) 4.657 2.111 ( 0.577 1.489 -1.848) 2.443 2.167 ( -2.964 2.343 -5.436) 6.620 2.297 ( 0.794 3.208 0.617) 3.362 2.525 ( 1.706 5.334 0.451) 5.619 2.574 ( -1.086 2.793 -2.704) 4.036 2.697 ( 0.422 -0.746 -0.241) 0.890 2.885 ( -0.344 -0.713 1.533) 1.725 3.070 ( -2.470 4.958 4.344) 7.039 3.505 ( 0.641 2.526 -1.505) 3.009 4.447 ( 1.150 -24.933 -0.237) 24.960 5.041 ( 0.494 17.457 -6.049) 18.482 5.872 ( -0.803 -14.250 2.345) 14.464 9.073 ( -0.313 -4.534 0.097) 4.546 9.634 ( -1.240 -5.606 1.864) 6.036 9.793 ( -2.392 3.751 1.865) 4.824 9.921 ( -1.159 7.029 -3.131) 7.781 10.348 ( 1.134 0.326 0.221) 1.200 10.559 ( 1.959 -2.764 3.620) 4.958 ======================= Grid point 334 (155/242) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 5.741 -0.000 5.652) 8.056 0.773 ( 7.568 -0.000 0.720) 7.602 0.872 ( 2.216 -0.000 -8.490) 8.775 0.899 ( 6.131 -0.000 1.106) 6.230 1.302 ( -0.891 0.000 -4.006) 4.104 1.366 ( -2.841 0.000 0.952) 2.996 1.401 ( 7.127 -0.000 1.101) 7.212 1.457 ( -7.026 0.000 3.875) 8.024 1.526 ( -4.719 0.000 -3.077) 5.634 1.639 ( -0.276 0.000 5.098) 5.106 1.874 ( -3.401 0.000 1.050) 3.559 1.880 ( -2.004 0.000 2.407) 3.132 2.021 ( 1.047 -0.000 0.095) 1.051 2.100 ( 1.113 -0.000 -0.972) 1.477 2.234 ( 1.722 -0.000 -0.125) 1.727 2.290 ( -0.800 0.000 -1.044) 1.315 2.405 ( -0.186 0.000 -0.832) 0.853 2.874 ( -1.789 0.000 -2.330) 2.937 2.891 ( -1.963 0.000 1.896) 2.729 3.117 ( 4.670 -0.000 -4.151) 6.248 3.567 ( 0.761 -0.000 1.314) 1.518 3.595 ( 0.165 -0.000 0.143) 0.218 5.353 ( 7.057 -0.000 -4.505) 8.372 6.787 ( -14.382 0.000 9.874) 17.445 9.058 ( 0.222 -0.000 -0.332) 0.399 9.149 ( -0.052 0.000 0.313) 0.318 9.621 ( -1.270 0.000 4.524) 4.699 9.998 ( 1.085 -0.000 4.328) 4.462 10.246 ( -3.654 0.000 -1.829) 4.086 10.916 ( 4.182 -0.000 -7.360) 8.466 ======================= Grid point 335 (156/242) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 3.761 -0.945 1.927) 4.330 0.866 ( 6.298 -3.243 -3.991) 8.131 0.889 ( 3.776 -2.572 -2.689) 5.301 0.983 ( 6.902 -3.420 2.323) 8.045 1.259 ( -1.880 4.072 1.221) 4.649 1.314 ( -3.204 -1.122 -1.649) 3.774 1.395 ( -2.546 0.867 1.853) 3.266 1.496 ( -2.111 -5.481 -0.151) 5.876 1.595 ( -4.122 -5.336 -2.159) 7.080 1.688 ( 2.423 -3.069 3.896) 5.520 1.833 ( -2.092 0.948 2.011) 3.053 1.906 ( -1.512 -1.504 -1.569) 2.647 2.064 ( -0.117 -3.914 -0.219) 3.922 2.112 ( 0.700 -1.373 0.300) 1.570 2.259 ( 2.065 -1.666 0.432) 2.689 2.341 ( -3.779 -5.782 0.634) 6.936 2.414 ( 3.012 -0.765 -0.425) 3.136 2.825 ( -0.725 3.497 -3.691) 5.136 2.882 ( -1.390 0.082 2.978) 3.287 3.038 ( 2.881 5.136 -2.798) 6.519 3.508 ( 0.156 1.494 1.875) 2.403 3.958 ( -0.226 -25.854 -1.703) 25.911 5.286 ( 6.148 9.441 -3.793) 11.888 6.547 ( -9.708 17.484 6.976) 21.180 9.164 ( 0.233 -0.801 0.452) 0.949 9.200 ( -1.678 -12.652 0.331) 12.767 9.667 ( -1.233 -4.438 3.926) 6.052 9.977 ( 0.924 3.902 5.397) 6.723 10.223 ( -3.402 -0.284 -3.347) 4.781 10.841 ( 2.650 7.533 -6.774) 10.471 ======================= Grid point 336 (157/242) ======================= q-point: ( 0.42 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -0.259 -2.196 1.727) 2.806 0.915 ( 3.937 -0.987 -7.663) 8.672 0.981 ( 1.903 -4.932 -2.500) 5.848 1.089 ( 5.672 -2.721 3.016) 6.976 1.204 ( -0.439 1.020 4.520) 4.655 1.330 ( -6.061 -2.782 0.433) 6.683 1.386 ( -4.296 -1.111 1.149) 4.584 1.604 ( -0.612 -3.387 -2.323) 4.152 1.625 ( -2.782 -4.350 -0.881) 5.238 1.794 ( 3.157 -4.913 1.283) 5.979 1.838 ( -1.098 -1.175 0.367) 1.650 1.950 ( 0.640 -5.088 -2.531) 5.719 2.099 ( 0.505 -0.554 0.320) 0.815 2.202 ( -0.835 -5.993 -1.459) 6.224 2.303 ( 3.617 -0.692 1.794) 4.096 2.417 ( -2.827 -3.517 1.721) 4.829 2.507 ( 3.238 -6.527 -1.048) 7.361 2.749 ( 0.218 2.766 -2.424) 3.684 2.875 ( -1.277 1.059 2.505) 3.005 2.995 ( -0.110 -0.761 -0.219) 0.799 3.491 ( 0.053 0.652 0.838) 1.063 4.455 ( -0.721 -24.700 -2.229) 24.810 5.038 ( 4.466 18.646 -2.185) 19.298 6.148 ( -4.671 19.196 2.758) 19.948 9.156 ( 0.398 2.396 0.623) 2.508 9.449 ( -2.126 -12.703 1.434) 12.959 9.779 ( -1.084 -5.270 2.738) 6.037 9.905 ( 0.166 3.875 6.644) 7.694 10.211 ( -2.381 -1.298 -4.913) 5.612 10.654 ( -0.236 9.592 -6.261) 11.457 ======================= Grid point 337 (158/242) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -2.232 -1.783 1.572) 3.260 0.900 ( -2.009 1.029 -5.359) 5.815 1.085 ( -1.432 -6.202 -4.291) 7.677 1.148 ( 2.864 -0.659 0.735) 3.030 1.239 ( 1.225 -2.202 4.363) 5.038 1.335 ( -3.238 -0.844 0.057) 3.347 1.416 ( -4.740 -4.938 2.181) 7.184 1.639 ( 0.189 -2.476 -1.021) 2.685 1.722 ( 3.213 -2.848 -0.676) 4.347 1.827 ( -0.346 -0.208 0.014) 0.404 1.913 ( 2.976 -3.109 -3.720) 5.689 2.076 ( 0.439 -7.230 -0.994) 7.311 2.140 ( 0.510 -4.042 1.076) 4.214 2.269 ( -2.159 -2.312 -1.017) 3.323 2.341 ( 4.742 -0.357 1.794) 5.083 2.465 ( -2.615 -2.492 0.441) 3.639 2.600 ( 2.767 -0.349 -3.441) 4.429 2.736 ( 0.875 -1.220 0.076) 1.503 2.851 ( -1.567 -0.102 0.727) 1.730 3.061 ( -2.365 -5.570 5.642) 8.274 3.499 ( 0.576 -1.709 -1.378) 2.270 4.578 ( 3.929 28.190 -0.944) 28.479 4.876 ( -2.141 -17.874 -2.498) 18.174 5.823 ( -2.109 12.503 0.199) 12.681 9.080 ( 0.325 5.412 0.250) 5.428 9.602 ( -1.014 -0.664 2.929) 3.170 9.812 ( -0.875 -2.559 4.567) 5.307 9.944 ( -0.653 -3.628 4.835) 6.080 10.223 ( -1.059 -2.218 -5.238) 5.786 10.489 ( -2.156 4.178 -7.039) 8.465 ======================= Grid point 338 (159/242) ======================= q-point: ( 0.58 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -2.788 -0.763 -2.656) 3.926 0.884 ( -0.986 -1.853 1.286) 2.462 1.114 ( -3.753 0.641 -1.381) 4.050 1.211 ( -1.230 -5.932 -3.768) 7.134 1.274 ( 0.971 -0.708 0.756) 1.420 1.400 ( 1.422 -4.711 3.257) 5.901 1.503 ( -2.422 -5.189 0.497) 5.748 1.668 ( 1.541 -0.121 -2.054) 2.571 1.731 ( 2.383 3.319 -0.402) 4.105 1.850 ( 0.044 -1.731 1.252) 2.137 1.928 ( 3.432 1.371 -6.053) 7.092 2.197 ( 1.070 -4.625 0.403) 4.764 2.252 ( -0.397 -3.460 1.698) 3.874 2.290 ( -2.344 -3.777 -0.488) 4.472 2.363 ( 3.395 0.570 1.164) 3.633 2.495 ( -2.251 -2.271 0.005) 3.197 2.577 ( 1.960 1.880 -4.158) 4.966 2.728 ( 0.406 2.305 0.227) 2.352 2.879 ( -1.023 -1.919 1.027) 2.405 3.191 ( -3.364 -7.000 8.541) 11.544 3.559 ( 1.532 -4.248 -3.538) 5.737 4.002 ( 1.346 30.067 -0.440) 30.100 5.156 ( -0.510 -12.227 -2.812) 12.557 5.639 ( -1.105 6.165 -0.440) 6.279 8.971 ( 0.339 5.620 -0.388) 5.643 9.526 ( -1.018 5.851 3.773) 7.036 9.886 ( -0.862 -1.345 4.385) 4.667 10.019 ( -1.461 -4.400 6.119) 7.678 10.256 ( 0.280 -2.598 -5.061) 5.696 10.442 ( -1.375 -1.556 -7.999) 8.264 ======================= Grid point 339 (160/242) ======================= q-point: (-0.33 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.299 -4.101 0.364) 4.128 0.908 ( 1.155 0.001 1.050) 1.561 1.091 ( -1.982 -1.552 -1.842) 3.119 1.291 ( 1.213 -0.725 -1.499) 2.060 1.303 ( -2.794 -4.710 -0.796) 5.534 1.496 ( 0.636 -3.544 1.352) 3.846 1.581 ( -0.270 -3.160 -0.030) 3.171 1.641 ( 0.275 4.486 -1.161) 4.642 1.666 ( 0.850 0.438 -2.656) 2.823 1.860 ( 0.309 1.726 0.446) 1.809 1.888 ( 3.035 2.646 -6.279) 7.459 2.225 ( 1.093 3.386 2.001) 4.082 2.263 ( -0.604 -1.243 1.350) 1.932 2.369 ( 0.042 0.193 1.366) 1.380 2.403 ( -1.359 -5.824 0.937) 6.053 2.522 ( 0.595 -0.096 -2.851) 2.914 2.556 ( 0.947 -1.008 -2.053) 2.476 2.681 ( 0.052 2.164 -0.156) 2.171 2.897 ( -0.972 -0.286 2.075) 2.310 3.309 ( -3.662 -4.410 8.571) 10.312 3.527 ( 0.392 17.584 -0.317) 17.591 3.641 ( 2.100 -3.459 -4.485) 6.041 5.333 ( 0.599 -7.005 -2.659) 7.516 5.556 ( -0.629 2.073 -0.146) 2.171 8.883 ( 0.474 3.233 -0.885) 3.385 9.432 ( -1.067 3.821 3.234) 5.118 9.882 ( -2.167 1.071 4.906) 5.469 10.116 ( -1.326 -3.976 6.589) 7.809 10.293 ( 1.198 -1.924 -4.773) 5.284 10.461 ( 0.397 -2.171 -7.123) 7.457 ======================= Grid point 340 (161/242) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 0.364 -0.285 -0.106) 0.475 0.999 ( -0.875 -4.129 2.660) 4.989 1.155 ( 3.178 -4.200 -1.870) 5.589 1.295 ( 1.497 0.399 -1.109) 1.905 1.371 ( -2.031 -3.773 0.236) 4.291 1.555 ( 0.000 -2.934 1.089) 3.129 1.565 ( 0.650 1.437 -0.813) 1.774 1.638 ( 0.258 -1.654 -1.156) 2.035 1.671 ( -0.364 -0.262 -2.261) 2.305 1.798 ( -2.770 2.613 -0.750) 3.881 1.840 ( 4.028 1.913 -7.455) 8.687 2.165 ( 3.552 4.718 3.327) 6.778 2.239 ( -2.886 3.066 0.329) 4.223 2.359 ( -1.162 0.918 1.553) 2.146 2.490 ( -0.098 -2.616 -0.049) 2.618 2.499 ( 0.698 0.815 -2.391) 2.621 2.582 ( 0.203 -0.551 0.517) 0.782 2.671 ( 0.813 -1.411 -1.726) 2.373 2.897 ( -0.975 0.249 2.329) 2.537 3.347 ( -1.642 -0.108 4.227) 4.536 3.358 ( -2.079 0.830 3.990) 4.575 3.680 ( 2.207 -0.288 -4.701) 5.201 5.421 ( 1.110 -2.199 -2.046) 3.202 5.545 ( -0.258 -0.953 0.078) 0.991 8.855 ( 0.516 -0.311 -1.127) 1.278 9.392 ( -1.199 0.318 2.625) 2.903 9.864 ( -2.401 0.676 4.889) 5.488 10.169 ( -2.297 -0.715 4.385) 5.001 10.318 ( 2.039 -0.949 -3.144) 3.866 10.490 ( 1.830 -1.648 -4.372) 5.018 ======================= Grid point 341 (162/242) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -0.811 -0.240 0.210) 0.871 1.049 ( -1.761 -1.028 0.727) 2.165 1.217 ( -1.342 -0.713 -1.182) 1.925 1.299 ( 3.848 0.442 -0.851) 3.966 1.415 ( -1.768 -0.983 0.526) 2.090 1.545 ( 0.125 1.843 -0.715) 1.981 1.609 ( -1.371 1.377 -0.191) 1.952 1.650 ( 0.233 -2.434 0.370) 2.473 1.664 ( 2.633 -1.158 2.207) 3.626 1.782 ( -3.654 -2.344 -2.063) 4.806 1.847 ( 6.967 -1.894 -7.428) 10.358 2.098 ( 2.040 4.260 -0.571) 4.757 2.137 ( -1.777 5.200 0.944) 5.576 2.333 ( -1.597 1.415 1.519) 2.619 2.431 ( 0.532 4.479 -2.123) 4.985 2.549 ( 0.344 -2.159 -0.106) 2.189 2.600 ( 0.470 -0.686 1.357) 1.592 2.702 ( 0.461 -1.197 -2.487) 2.798 2.891 ( -0.850 0.339 2.236) 2.416 3.300 ( -4.133 4.843 8.689) 10.772 3.503 ( 0.233 -15.207 -0.012) 15.209 3.654 ( 2.057 2.390 -4.719) 5.676 5.416 ( 0.711 2.940 -2.040) 3.648 5.584 ( -0.131 -3.205 0.245) 3.217 8.892 ( 0.287 -3.442 -1.034) 3.605 9.421 ( -1.331 -3.292 2.354) 4.260 9.854 ( -2.105 0.400 4.530) 5.011 10.135 ( -2.375 3.229 -0.203) 4.014 10.340 ( 1.753 -0.641 -0.177) 1.875 10.520 ( 2.142 -1.001 -1.270) 2.684 ======================= Grid point 342 (163/242) ======================= q-point: (-0.08 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.280 1.105 0.160) 1.151 1.025 ( 0.303 2.703 -0.811) 2.838 1.160 ( -6.443 4.291 0.024) 7.741 1.254 ( 0.925 5.230 2.482) 5.863 1.408 ( 1.688 1.480 -1.384) 2.638 1.481 ( -2.334 4.144 -3.382) 5.836 1.549 ( -2.456 2.565 3.025) 4.665 1.704 ( 1.539 -1.393 -0.692) 2.189 1.722 ( 0.206 -2.070 1.628) 2.641 1.798 ( -0.493 -1.123 0.122) 1.233 1.923 ( 6.324 -1.360 -4.706) 7.999 2.014 ( 0.052 2.522 -2.020) 3.232 2.084 ( 2.685 0.810 -0.420) 2.836 2.270 ( -1.211 5.352 -0.342) 5.498 2.351 ( 0.414 2.815 0.189) 2.852 2.579 ( 0.317 -0.795 -2.243) 2.401 2.600 ( 0.165 1.584 1.454) 2.157 2.702 ( 0.230 0.560 -1.763) 1.864 2.886 ( -0.512 0.353 1.713) 1.822 3.183 ( -3.966 6.588 8.015) 11.108 3.571 ( 1.437 4.028 -3.326) 5.418 3.938 ( 0.976 -26.501 -0.399) 26.522 5.291 ( -0.394 9.834 -3.328) 10.389 5.677 ( -0.370 -6.890 0.762) 6.942 8.975 ( -0.042 -5.066 -0.544) 5.095 9.511 ( -1.345 -5.998 2.456) 6.619 9.840 ( -1.721 1.473 3.794) 4.419 10.033 ( -1.405 5.658 -1.985) 6.159 10.354 ( 0.414 -0.049 -0.082) 0.425 10.544 ( 1.293 -0.735 0.702) 1.645 ======================= Grid point 347 (164/242) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 3.815 -0.000 -3.844) 5.415 0.846 ( 6.843 -0.000 -1.953) 7.116 0.922 ( 10.095 -0.000 0.589) 10.113 0.983 ( 6.486 -0.000 3.551) 7.395 1.236 ( -7.502 0.000 -4.047) 8.524 1.334 ( -4.369 0.000 1.602) 4.653 1.402 ( -6.080 0.000 5.476) 8.183 1.460 ( -3.860 0.000 -3.662) 5.321 1.461 ( 4.270 -0.000 -1.404) 4.495 1.692 ( 4.518 -0.000 2.724) 5.276 1.845 ( -2.844 0.000 0.756) 2.943 1.880 ( -1.066 0.000 2.718) 2.920 2.031 ( 0.660 -0.000 -0.079) 0.664 2.074 ( -4.441 0.000 -3.750) 5.812 2.250 ( 1.352 -0.000 0.036) 1.352 2.257 ( -3.813 0.000 3.607) 5.249 2.431 ( 3.909 -0.000 0.309) 3.921 2.841 ( -0.589 0.000 -4.502) 4.540 2.885 ( -1.668 0.000 2.505) 3.010 3.151 ( 4.939 -0.000 -3.239) 5.906 3.578 ( -0.005 0.000 1.232) 1.232 3.597 ( 0.162 -0.000 0.194) 0.252 5.398 ( 5.256 -0.000 -4.331) 6.811 6.690 ( -12.039 0.000 8.246) 14.592 9.059 ( 0.223 -0.000 -0.313) 0.384 9.150 ( -0.069 0.000 0.305) 0.313 9.627 ( -1.663 0.000 4.356) 4.663 10.034 ( 0.847 -0.000 5.165) 5.234 10.196 ( -3.043 0.000 -3.343) 4.521 10.921 ( 3.598 -0.000 -7.123) 7.980 ======================= Grid point 348 (165/242) ======================= q-point: ( 0.42 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 3.531 -0.383 -4.288) 5.568 0.906 ( 4.620 -1.660 -4.606) 6.732 0.954 ( 6.949 0.500 2.789) 7.504 1.074 ( 6.462 -3.009 3.091) 7.770 1.211 ( -5.960 -2.108 -2.905) 6.958 1.271 ( -4.446 1.783 4.601) 6.642 1.368 ( -3.813 1.484 0.652) 4.143 1.484 ( 0.092 -6.271 -0.680) 6.309 1.553 ( -2.020 -3.660 -0.394) 4.199 1.721 ( 1.085 -1.191 -0.108) 1.615 1.820 ( -2.267 -0.517 1.808) 2.946 1.900 ( 1.258 -1.316 -1.223) 2.194 2.049 ( -2.122 -4.012 -1.218) 4.700 2.107 ( -0.880 -3.114 -1.147) 3.434 2.274 ( 0.132 -3.078 1.367) 3.370 2.316 ( -1.660 -4.962 3.014) 6.038 2.456 ( 4.241 -0.678 0.349) 4.309 2.801 ( 0.021 2.729 -4.301) 5.094 2.882 ( -1.416 -0.110 2.980) 3.301 3.056 ( 2.724 6.565 -2.370) 7.493 3.517 ( -0.342 1.558 1.856) 2.447 3.952 ( 0.453 -25.076 -1.321) 25.114 5.324 ( 4.295 9.192 -3.562) 10.753 6.481 ( -8.208 15.693 5.641) 18.587 9.168 ( 0.163 -1.088 0.390) 1.167 9.188 ( -0.846 -11.859 0.516) 11.900 9.671 ( -1.571 -4.422 3.894) 6.098 10.009 ( -0.626 3.988 5.807) 7.073 10.174 ( -1.452 -0.250 -4.446) 4.684 10.833 ( 2.181 8.625 -6.764) 11.176 ======================= Grid point 349 (166/242) ======================= q-point: ( 0.50 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.647 -0.926 -1.820) 2.142 0.906 ( -0.852 1.198 -5.933) 6.113 0.999 ( 3.376 -2.035 -0.090) 3.943 1.147 ( 2.822 -0.955 0.327) 2.997 1.232 ( 1.853 -1.864 2.036) 3.325 1.273 ( -5.142 -2.668 3.614) 6.828 1.346 ( -3.113 -0.761 1.767) 3.659 1.579 ( -1.168 -2.555 -0.088) 2.810 1.624 ( 1.435 -6.962 -1.453) 7.256 1.804 ( -0.465 -7.218 -1.748) 7.441 1.841 ( -0.309 0.026 1.943) 1.967 1.948 ( 1.252 -4.213 -2.457) 5.036 2.107 ( 0.778 -1.883 0.018) 2.038 2.175 ( -2.019 -5.109 -2.436) 6.010 2.342 ( 1.867 -2.478 1.661) 3.519 2.409 ( -0.788 -3.221 3.332) 4.701 2.534 ( 2.966 -5.737 -1.720) 6.683 2.736 ( 0.047 2.329 -3.066) 3.850 2.878 ( -0.961 1.528 3.393) 3.843 2.993 ( -0.157 -0.561 -0.098) 0.591 3.494 ( -0.232 0.846 0.804) 1.190 4.444 ( 0.730 -24.451 -2.052) 24.547 5.068 ( 3.048 19.068 -2.048) 19.418 6.113 ( -4.083 18.226 2.257) 18.814 9.163 ( 0.306 2.378 0.527) 2.455 9.442 ( -0.635 -13.107 1.765) 13.241 9.783 ( -1.024 -5.389 3.486) 6.499 9.926 ( -2.362 3.699 5.897) 7.351 10.173 ( 0.357 -1.196 -4.999) 5.152 10.617 ( -0.507 11.047 -6.868) 13.018 ======================= Grid point 350 (167/242) ======================= q-point: (-0.42 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -4.748 -1.139 0.249) 4.889 0.855 ( -1.808 -0.014 -4.308) 4.672 1.064 ( 0.944 -2.805 -2.506) 3.878 1.147 ( -1.010 -0.039 -2.695) 2.878 1.274 ( 1.139 -0.340 1.174) 1.670 1.333 ( 1.140 -4.676 3.604) 6.013 1.397 ( -0.832 -4.273 4.177) 6.033 1.643 ( 1.376 -2.987 -1.629) 3.670 1.748 ( 1.909 -4.698 -0.571) 5.103 1.819 ( -1.169 1.139 0.564) 1.727 1.921 ( 2.162 -3.193 -4.322) 5.792 2.060 ( -1.855 -8.277 -0.855) 8.525 2.162 ( 1.984 -3.243 1.095) 3.956 2.238 ( -2.411 -2.986 -1.191) 4.019 2.393 ( 3.328 -0.480 1.404) 3.644 2.444 ( -1.560 -1.425 0.653) 2.211 2.610 ( 2.353 0.531 -3.786) 4.490 2.740 ( -0.039 -2.791 -0.458) 2.828 2.840 ( -1.258 0.766 1.183) 1.890 3.066 ( -2.176 -5.867 5.987) 8.660 3.499 ( 0.611 -1.620 -1.431) 2.246 4.604 ( 1.189 29.386 -0.807) 29.421 4.858 ( 1.457 -18.207 -2.714) 18.466 5.802 ( -1.824 12.051 0.196) 12.190 9.085 ( 0.345 5.555 0.164) 5.568 9.610 ( -0.334 -0.708 3.213) 3.307 9.825 ( -0.816 -3.019 4.298) 5.315 9.956 ( -2.077 -3.906 5.784) 7.282 10.199 ( 1.489 -2.202 -5.073) 5.728 10.427 ( -2.123 4.697 -8.133) 9.629 ======================= Grid point 351 (168/242) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -0.278 -3.346 -0.696) 3.429 0.886 ( 0.234 -3.013 0.136) 3.025 1.060 ( -3.642 0.785 -2.050) 4.253 1.185 ( -0.089 -4.362 -3.415) 5.540 1.292 ( 1.588 -0.582 -0.181) 1.701 1.443 ( 2.834 -3.788 3.858) 6.105 1.490 ( -1.080 -4.908 1.665) 5.294 1.669 ( 1.177 0.279 -3.329) 3.542 1.746 ( 0.634 4.014 -0.453) 4.089 1.855 ( -0.497 -2.766 1.390) 3.135 1.931 ( 2.588 1.260 -5.981) 6.638 2.201 ( -0.569 -5.147 0.416) 5.195 2.251 ( -1.335 -3.266 1.289) 3.756 2.271 ( -0.769 -4.199 0.512) 4.300 2.387 ( 0.752 1.496 -0.033) 1.674 2.484 ( 0.077 -2.625 0.391) 2.655 2.577 ( 1.898 2.017 -4.169) 5.005 2.732 ( 0.179 2.618 0.211) 2.632 2.872 ( -1.266 -2.428 1.276) 3.021 3.197 ( -3.441 -6.863 8.459) 11.423 3.559 ( 1.719 -4.280 -3.605) 5.854 4.009 ( 0.195 30.295 -0.427) 30.299 5.149 ( 1.886 -12.032 -2.935) 12.528 5.626 ( -0.869 5.906 -0.267) 5.976 8.973 ( 0.490 5.732 -0.454) 5.770 9.534 ( -1.126 5.971 3.759) 7.145 9.896 ( -1.291 -0.694 4.160) 4.411 10.038 ( -1.261 -4.808 7.414) 8.926 10.244 ( 2.116 -2.554 -4.843) 5.869 10.386 ( -1.225 -2.611 -8.898) 9.354 ======================= Grid point 352 (169/242) ======================= q-point: (-0.25 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 2.127 -1.217 -0.545) 2.511 0.940 ( 2.526 -2.111 3.442) 4.763 1.056 ( -1.675 -4.711 -3.453) 6.076 1.266 ( -1.492 -4.935 -1.704) 5.430 1.308 ( 1.786 -0.196 -0.813) 1.972 1.513 ( 0.908 -1.951 2.229) 3.099 1.579 ( 0.063 -4.132 -0.438) 4.155 1.633 ( -0.599 4.145 -1.297) 4.384 1.665 ( 1.306 1.959 -2.554) 3.474 1.856 ( -1.457 2.580 0.685) 3.041 1.890 ( 2.986 2.570 -6.419) 7.531 2.244 ( 0.071 0.644 2.381) 2.467 2.256 ( -1.392 0.248 1.254) 1.889 2.367 ( -1.313 0.510 0.594) 1.528 2.399 ( -0.168 -6.247 0.988) 6.327 2.518 ( 1.103 0.315 -2.638) 2.877 2.558 ( 1.067 -0.990 -1.975) 2.454 2.683 ( 0.432 2.148 -0.060) 2.192 2.896 ( -1.244 -0.480 2.112) 2.498 3.312 ( -3.794 -4.333 8.505) 10.272 3.527 ( -0.071 17.576 -0.337) 17.579 3.642 ( 2.247 -3.403 -4.550) 6.110 5.334 ( 1.941 -6.940 -2.617) 7.667 5.550 ( -0.457 1.853 -0.005) 1.909 8.884 ( 0.629 3.313 -0.923) 3.496 9.436 ( -1.165 3.985 3.122) 5.195 9.882 ( -2.369 1.220 4.994) 5.660 10.135 ( -1.373 -3.230 6.509) 7.395 10.290 ( 2.400 -2.075 -3.918) 5.042 10.429 ( 0.470 -3.671 -7.486) 8.351 ======================= Grid point 353 (170/242) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.078 0.256 -0.293) 0.397 1.005 ( -0.620 -1.978 3.163) 3.781 1.163 ( 0.511 -4.992 -3.818) 6.305 1.308 ( 2.093 -0.283 -2.087) 2.969 1.357 ( -0.704 -3.805 1.485) 4.145 1.553 ( -1.448 -0.959 1.221) 2.123 1.570 ( 1.180 -0.529 -1.199) 1.763 1.640 ( 1.290 -2.076 -1.367) 2.800 1.658 ( -0.156 -0.369 -1.426) 1.481 1.773 ( -1.350 3.903 0.189) 4.134 1.852 ( 4.416 0.999 -6.595) 8.000 2.196 ( -2.738 4.467 -0.452) 5.259 2.224 ( 2.107 3.147 3.244) 4.986 2.348 ( -2.082 0.722 0.889) 2.376 2.490 ( 1.470 0.694 -1.934) 2.527 2.503 ( 0.414 -2.272 0.686) 2.409 2.582 ( -0.463 -1.144 -0.140) 1.242 2.672 ( 0.966 -0.892 -1.715) 2.161 2.897 ( -1.192 0.135 2.262) 2.560 3.351 ( -1.521 -0.111 4.016) 4.295 3.355 ( -2.320 0.823 4.156) 4.830 3.680 ( 2.175 -0.226 -4.731) 5.211 5.424 ( 1.277 -2.013 -2.031) 3.132 5.542 ( -0.333 -1.038 0.098) 1.094 8.855 ( 0.537 -0.194 -1.123) 1.259 9.393 ( -1.205 0.480 2.612) 2.916 9.864 ( -2.252 0.637 5.063) 5.578 10.163 ( -2.444 0.594 3.430) 4.254 10.329 ( 2.205 -1.365 -1.963) 3.253 10.485 ( 1.653 -2.978 -4.764) 5.856 ======================= Grid point 354 (171/242) ======================= q-point: (-0.08 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -0.862 0.007 0.537) 1.015 1.031 ( -2.608 -1.066 1.268) 3.090 1.186 ( -2.376 1.180 -2.091) 3.378 1.333 ( 3.129 0.173 -0.959) 3.277 1.389 ( -3.374 -1.027 0.432) 3.554 1.532 ( -1.515 2.454 -1.392) 3.203 1.598 ( -0.941 0.645 0.703) 1.340 1.640 ( -0.798 -0.570 -0.778) 1.252 1.699 ( 0.777 -2.649 -0.543) 2.813 1.757 ( 1.850 -2.095 -1.038) 2.982 1.897 ( 7.511 -3.482 -4.987) 9.665 2.075 ( -2.284 4.791 -2.237) 5.760 2.173 ( 4.077 4.488 3.287) 6.897 2.319 ( -1.974 1.446 0.925) 2.616 2.431 ( 0.728 4.402 -0.768) 4.528 2.552 ( 0.521 -1.707 -0.605) 1.884 2.604 ( -0.627 -0.997 0.703) 1.371 2.694 ( 0.415 -0.981 -2.406) 2.631 2.893 ( -0.934 0.196 2.125) 2.330 3.299 ( -4.039 4.911 8.740) 10.808 3.506 ( 0.427 -15.605 -0.166) 15.612 3.651 ( 1.862 2.600 -4.672) 5.662 5.409 ( -0.140 3.597 -2.177) 4.207 5.582 ( -0.431 -3.324 0.162) 3.356 8.890 ( 0.211 -3.344 -0.973) 3.489 9.419 ( -1.225 -3.235 2.541) 4.292 9.857 ( -1.734 0.357 4.847) 5.160 10.112 ( -2.221 3.641 0.797) 4.338 10.351 ( 0.814 -0.389 -1.112) 1.432 10.530 ( 1.480 -1.567 -2.492) 3.294 ======================= Grid point 360 (172/242) ======================= q-point: ( 0.42 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 4.853 -0.000 -6.419) 8.047 0.899 ( 4.042 -0.000 -1.128) 4.197 1.050 ( 11.042 -0.000 1.403) 11.131 1.059 ( 4.655 -0.000 2.173) 5.137 1.125 ( -9.193 0.000 -0.076) 9.193 1.290 ( -4.989 0.000 2.143) 5.430 1.370 ( -4.207 0.000 3.648) 5.569 1.416 ( -0.863 0.000 -3.367) 3.476 1.495 ( 2.225 -0.000 1.816) 2.873 1.750 ( 6.411 -0.000 -2.568) 6.906 1.822 ( -1.687 0.000 0.352) 1.724 1.837 ( -11.619 0.000 2.207) 11.827 2.008 ( -1.358 0.000 -3.911) 4.140 2.034 ( 0.074 -0.000 -0.147) 0.165 2.260 ( -0.266 0.000 4.752) 4.759 2.263 ( 0.814 -0.000 0.126) 0.824 2.480 ( 4.274 -0.000 1.321) 4.473 2.817 ( 0.265 -0.000 -4.500) 4.508 2.879 ( -1.532 0.000 2.022) 2.537 3.186 ( 4.245 -0.000 -2.679) 5.020 3.579 ( -0.943 0.000 1.355) 1.651 3.600 ( 0.106 -0.000 0.212) 0.238 5.422 ( 3.106 -0.000 -4.041) 5.097 6.613 ( -9.193 0.000 6.875) 11.480 9.060 ( 0.210 -0.000 -0.306) 0.371 9.151 ( -0.108 0.000 0.302) 0.321 9.631 ( -1.489 0.000 4.142) 4.401 10.057 ( -2.019 0.000 4.794) 5.202 10.159 ( 0.225 -0.000 -3.623) 3.630 10.923 ( 3.028 -0.000 -6.559) 7.224 ======================= Grid point 361 (173/242) ======================= q-point: (-0.50 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 2.101 0.629 -6.142) 6.522 0.903 ( -2.194 0.918 -3.015) 3.840 1.033 ( 3.611 1.829 3.479) 5.338 1.137 ( 0.287 -2.673 2.894) 3.950 1.153 ( 0.637 -3.164 -1.490) 3.555 1.263 ( -0.680 0.235 3.165) 3.245 1.337 ( -1.144 0.903 1.273) 1.935 1.482 ( 0.497 -6.256 -2.222) 6.658 1.552 ( 0.716 -2.335 2.739) 3.670 1.698 ( -5.141 0.056 -1.470) 5.348 1.803 ( -2.746 -2.232 1.971) 4.051 1.912 ( 2.966 -3.270 -2.300) 4.977 2.011 ( -2.772 -3.778 -2.064) 5.121 2.098 ( 0.646 -3.940 -1.426) 4.239 2.286 ( 0.708 -2.889 1.839) 3.497 2.322 ( -0.472 -4.585 2.819) 5.402 2.505 ( 4.245 -0.137 0.446) 4.271 2.782 ( 0.301 2.528 -4.033) 4.769 2.882 ( -1.171 -0.639 2.952) 3.240 3.070 ( 1.803 7.730 -2.089) 8.208 3.520 ( -0.871 1.530 1.874) 2.571 3.955 ( 1.235 -25.042 -1.315) 25.107 5.341 ( 2.165 8.810 -3.426) 9.697 6.431 ( -5.996 14.621 5.232) 16.647 9.171 ( -0.002 -1.398 0.342) 1.440 9.186 ( -0.010 -11.670 0.496) 11.680 9.675 ( -1.124 -4.398 4.122) 6.131 10.011 ( -3.634 3.944 3.730) 6.533 10.158 ( 2.052 -0.087 -3.001) 3.636 10.820 ( 1.527 9.795 -6.462) 11.834 ======================= Grid point 362 (174/242) ======================= q-point: (-0.42 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -2.262 -0.051 -2.557) 3.415 0.832 ( -7.719 1.670 -3.377) 8.589 1.050 ( 4.991 -0.565 0.806) 5.087 1.147 ( -0.668 1.173 -2.893) 3.192 1.233 ( -1.975 -4.958 3.695) 6.491 1.277 ( 1.109 -0.872 1.255) 1.888 1.369 ( 4.457 -1.738 4.108) 6.306 1.573 ( 0.056 -3.970 -0.762) 4.043 1.632 ( 0.978 -5.964 -1.203) 6.163 1.785 ( -1.059 -9.076 -1.583) 9.273 1.832 ( -3.251 -0.852 2.152) 3.991 1.945 ( -0.060 -1.898 -2.120) 2.846 2.114 ( 0.914 -5.934 -1.104) 6.104 2.150 ( 0.368 -2.096 -2.006) 2.925 2.362 ( 0.731 -3.493 1.207) 3.768 2.426 ( -0.024 -3.226 3.758) 4.953 2.553 ( 2.533 -4.266 -2.845) 5.719 2.721 ( 0.029 2.349 -3.074) 3.869 2.886 ( -0.903 1.984 3.695) 4.291 2.992 ( -0.065 -0.864 0.202) 0.890 3.494 ( -0.504 0.881 0.789) 1.286 4.450 ( 2.348 -24.010 -2.298) 24.233 5.083 ( 1.568 18.731 -2.275) 18.934 6.086 ( -2.917 17.738 2.612) 18.165 9.167 ( 0.098 2.295 0.420) 2.335 9.453 ( 0.941 -13.600 1.567) 13.722 9.795 ( -0.434 -5.744 4.781) 7.486 9.913 ( -4.201 3.383 3.539) 6.452 10.170 ( 2.773 -0.761 -3.560) 4.576 10.576 ( -0.898 12.418 -6.680) 14.129 ======================= Grid point 363 (175/242) ======================= q-point: (-0.33 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -4.353 -1.766 0.698) 4.749 0.814 ( -2.303 -3.212 -3.007) 4.966 1.070 ( 0.211 1.161 -0.190) 1.196 1.133 ( 2.997 -0.945 -3.748) 4.891 1.281 ( -0.300 -1.139 1.215) 1.692 1.357 ( 0.501 -5.628 1.731) 5.909 1.446 ( 4.418 -2.115 5.048) 7.034 1.648 ( 1.750 -2.701 -3.341) 4.639 1.752 ( -0.628 -6.159 -0.673) 6.227 1.806 ( -2.320 1.683 1.076) 3.061 1.916 ( 0.890 -2.978 -4.490) 5.461 2.036 ( -2.124 -9.180 0.184) 9.424 2.179 ( -0.006 -2.252 -0.027) 2.252 2.219 ( 0.443 -3.673 -0.138) 3.703 2.424 ( 1.634 -0.325 0.283) 1.690 2.439 ( -0.098 -0.681 0.983) 1.200 2.613 ( 1.934 1.002 -4.065) 4.611 2.732 ( -0.976 -4.179 -0.431) 4.313 2.836 ( -0.827 1.616 1.485) 2.345 3.074 ( -1.992 -5.893 5.954) 8.611 3.498 ( 0.636 -1.681 -1.477) 2.326 4.593 ( -2.317 27.125 -0.482) 27.228 4.883 ( 5.911 -15.450 -3.653) 16.941 5.788 ( -1.221 11.841 0.755) 11.928 9.089 ( 0.283 5.571 0.046) 5.579 9.625 ( 0.019 0.172 2.999) 3.004 9.837 ( -0.799 -3.612 3.808) 5.310 9.962 ( -1.887 -5.086 6.186) 8.228 10.203 ( 3.162 -1.956 -4.141) 5.565 10.365 ( -1.773 5.347 -7.914) 9.714 ======================= Grid point 364 (176/242) ======================= q-point: (-0.25 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 3.115 -6.340 -0.325) 7.072 0.886 ( 0.338 -4.813 0.037) 4.825 1.031 ( -0.461 2.199 0.120) 2.250 1.177 ( 1.283 -2.914 -2.640) 4.136 1.304 ( 1.200 -0.876 -0.871) 1.722 1.476 ( 0.358 -5.736 0.697) 5.790 1.509 ( 2.387 -1.184 4.042) 4.842 1.660 ( 0.646 0.835 -4.253) 4.383 1.742 ( -0.820 3.486 -0.628) 3.636 1.848 ( -1.935 -2.882 0.937) 3.596 1.922 ( 1.124 0.721 -5.986) 6.133 2.186 ( -2.847 -5.353 0.683) 6.102 2.245 ( -0.327 -3.741 1.182) 3.937 2.280 ( 1.078 -4.049 1.394) 4.416 2.388 ( -0.239 2.201 -0.289) 2.233 2.492 ( 0.833 -2.361 0.147) 2.508 2.576 ( 1.702 1.919 -4.210) 4.929 2.734 ( 0.105 2.434 0.098) 2.438 2.865 ( -1.350 -2.653 1.635) 3.396 3.201 ( -3.614 -6.656 8.254) 11.202 3.560 ( 1.815 -4.305 -3.645) 5.925 4.002 ( -0.997 29.865 -0.447) 29.885 5.167 ( 4.253 -11.282 -3.265) 12.492 5.619 ( -0.455 5.777 0.266) 5.801 8.977 ( 0.585 5.764 -0.549) 5.819 9.539 ( -1.361 6.091 3.502) 7.157 9.900 ( -1.775 -0.139 3.978) 4.358 10.066 ( -0.387 -4.968 7.621) 9.106 10.253 ( 3.471 -2.259 -3.802) 5.622 10.330 ( -0.786 -3.513 -8.720) 9.434 ======================= Grid point 365 (177/242) ======================= q-point: (-0.17 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.648 1.753 -1.015) 2.612 0.984 ( 1.897 -3.403 2.081) 4.417 1.036 ( 2.058 -4.792 -2.369) 5.728 1.256 ( 0.301 -5.160 0.066) 5.169 1.323 ( 2.143 -0.670 -1.314) 2.602 1.535 ( 0.744 -0.241 2.796) 2.903 1.575 ( 0.243 -3.352 -2.251) 4.045 1.619 ( -0.892 1.739 -0.573) 2.037 1.668 ( 1.331 2.741 -2.285) 3.809 1.838 ( -2.412 2.485 0.809) 3.556 1.885 ( 2.068 1.883 -6.566) 7.136 2.227 ( -2.783 -0.121 0.653) 2.861 2.273 ( 1.001 0.056 2.757) 2.933 2.344 ( -2.991 1.093 -0.085) 3.185 2.412 ( 1.347 -6.236 1.432) 6.538 2.520 ( 1.232 0.271 -1.721) 2.134 2.556 ( 0.644 -0.507 -2.515) 2.646 2.689 ( 0.865 2.040 -0.250) 2.230 2.892 ( -1.419 -0.614 2.151) 2.649 3.312 ( -3.990 -4.339 8.463) 10.314 3.522 ( -0.489 17.172 -0.344) 17.182 3.644 ( 2.367 -3.197 -4.629) 6.103 5.348 ( 3.025 -6.291 -2.732) 7.496 5.547 ( -0.168 1.825 0.425) 1.882 8.887 ( 0.734 3.410 -0.976) 3.622 9.438 ( -1.309 4.052 2.904) 5.154 9.881 ( -2.455 1.146 4.947) 5.640 10.151 ( -1.308 -1.922 5.774) 6.224 10.304 ( 3.081 -1.958 -2.884) 4.652 10.399 ( 0.908 -4.998 -6.854) 8.532 ======================= Grid point 366 (178/242) ======================= q-point: (-0.08 -0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 0.656 -0.695) 0.956 1.015 ( -0.913 0.513 3.310) 3.472 1.134 ( -1.032 -4.594 -5.122) 6.957 1.313 ( 0.813 -1.226 -2.055) 2.527 1.370 ( 1.161 -1.404 1.409) 2.303 1.542 ( -1.063 0.022 0.510) 1.179 1.573 ( -0.098 -0.702 -0.403) 0.815 1.646 ( 1.099 0.270 -2.262) 2.529 1.660 ( 1.117 -2.633 0.353) 2.882 1.774 ( 1.048 2.545 0.892) 2.893 1.868 ( 4.316 -1.077 -5.688) 7.221 2.149 ( -3.905 4.990 -2.294) 6.739 2.270 ( 2.462 2.228 3.664) 4.944 2.325 ( -2.634 0.031 0.823) 2.760 2.500 ( 1.345 2.193 -1.278) 2.872 2.514 ( 1.038 -3.063 0.943) 3.369 2.571 ( -1.052 -1.550 -0.828) 2.048 2.674 ( 1.017 -0.194 -1.811) 2.086 2.894 ( -1.295 -0.000 2.240) 2.587 3.350 ( -1.926 0.684 3.213) 3.808 3.355 ( -1.988 -0.177 4.925) 5.314 3.679 ( 2.153 -0.104 -4.741) 5.208 5.427 ( 1.257 -1.261 -2.347) 2.946 5.540 ( -0.268 -0.870 0.448) 1.015 8.855 ( 0.542 -0.025 -1.120) 1.244 9.392 ( -1.221 0.513 2.604) 2.921 9.865 ( -2.138 0.439 5.118) 5.564 10.154 ( -2.250 1.509 3.593) 4.500 10.341 ( 1.810 -1.003 -2.348) 3.130 10.480 ( 1.750 -3.698 -4.590) 6.148 ======================= Grid point 373 (179/242) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -0.854 0.000 -8.816) 8.857 0.903 ( -3.752 0.000 0.463) 3.780 1.039 ( -4.857 0.000 3.632) 6.065 1.109 ( 4.263 -0.000 -0.400) 4.282 1.173 ( 6.144 -0.000 0.673) 6.181 1.259 ( -2.983 0.000 3.098) 4.301 1.367 ( 2.845 -0.000 2.653) 3.890 1.407 ( 1.909 -0.000 -3.076) 3.620 1.527 ( 0.433 -0.000 4.192) 4.214 1.672 ( -17.224 0.000 0.589) 17.234 1.811 ( 7.001 -0.000 -2.824) 7.549 1.815 ( 0.182 -0.000 0.122) 0.219 1.997 ( 1.021 -0.000 -2.470) 2.673 2.031 ( -0.556 0.000 -0.026) 0.556 2.269 ( 0.162 -0.000 0.100) 0.191 2.284 ( 0.748 -0.000 2.971) 3.064 2.531 ( 3.958 -0.000 0.613) 4.005 2.800 ( 0.300 -0.000 -3.800) 3.812 2.875 ( -0.742 0.000 1.988) 2.122 3.211 ( 2.712 -0.000 -2.837) 3.925 3.572 ( -1.806 0.000 1.709) 2.487 3.602 ( 0.014 -0.000 0.194) 0.194 5.423 ( 0.767 -0.000 -3.902) 3.976 6.567 ( -5.394 0.000 7.177) 8.978 9.060 ( 0.184 -0.000 -0.314) 0.364 9.151 ( -0.158 0.000 0.307) 0.345 9.640 ( -0.512 0.000 4.323) 4.353 10.035 ( -4.411 0.000 1.871) 4.791 10.169 ( 3.044 -0.000 -1.108) 3.240 10.919 ( 2.053 -0.000 -6.346) 6.670 ======================= Grid point 374 (180/242) ======================= q-point: (-0.42 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -4.896 0.263 -7.177) 8.692 0.836 ( -8.629 3.171 0.967) 9.244 1.059 ( -1.644 -1.386 4.175) 4.696 1.155 ( 1.594 -0.832 -1.837) 2.570 1.171 ( 3.932 -1.176 0.766) 4.175 1.266 ( -1.338 -0.349 1.395) 1.964 1.386 ( 6.936 -0.222 2.287) 7.307 1.478 ( 1.374 -4.972 -2.151) 5.589 1.583 ( -0.199 -0.341 2.591) 2.621 1.606 ( -8.270 -6.567 1.066) 10.614 1.786 ( -1.442 -0.502 1.132) 1.901 1.945 ( 4.512 -1.484 -2.347) 5.298 1.977 ( -1.325 -4.587 -1.539) 5.016 2.104 ( 1.614 -4.386 -1.177) 4.819 2.302 ( 0.956 -2.806 0.669) 3.039 2.327 ( -1.100 -4.397 2.389) 5.124 2.545 ( 3.221 0.484 -1.448) 3.565 2.767 ( 0.269 2.445 -3.356) 4.161 2.889 ( -0.287 -1.034 3.242) 3.415 3.072 ( 0.458 8.277 -2.102) 8.553 3.518 ( -1.251 1.449 1.981) 2.756 3.965 ( 2.169 -25.790 -1.764) 25.941 5.335 ( -0.151 8.327 -3.510) 9.038 6.411 ( -2.797 14.522 6.355) 16.097 9.172 ( -0.192 -1.526 0.319) 1.571 9.193 ( 0.877 -12.200 0.280) 12.235 9.692 ( 0.223 -4.392 4.722) 6.452 9.979 ( -4.333 3.577 1.964) 5.952 10.179 ( 3.278 0.368 -1.492) 3.620 10.799 ( 0.281 10.813 -6.259) 12.497 ======================= Grid point 375 (181/242) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -8.911 -0.802 -1.519) 9.075 0.742 ( -5.233 0.008 0.089) 5.233 1.076 ( -2.371 -0.504 0.356) 2.450 1.154 ( 6.300 0.574 -2.723) 6.887 1.248 ( 1.117 -2.417 3.205) 4.167 1.289 ( 0.355 -2.356 0.355) 2.409 1.450 ( 5.323 -1.805 3.959) 6.875 1.572 ( 1.781 -4.801 -2.848) 5.859 1.624 ( -1.653 -5.102 -0.963) 5.449 1.772 ( -0.051 -9.112 -1.231) 9.195 1.801 ( -4.099 -2.559 3.592) 6.021 1.923 ( -1.907 -0.218 -2.024) 2.789 2.121 ( 1.889 -6.172 -1.505) 6.628 2.159 ( 2.008 -1.348 -1.130) 2.669 2.374 ( 0.745 -3.559 0.783) 3.719 2.438 ( -1.077 -4.106 3.067) 5.237 2.558 ( 1.745 -2.992 -4.079) 5.351 2.708 ( 0.258 2.520 -2.643) 3.661 2.893 ( -1.188 2.746 3.247) 4.415 2.995 ( 0.412 -1.715 0.572) 1.854 3.492 ( -0.662 0.813 0.846) 1.347 4.471 ( 4.038 -23.288 -2.994) 23.825 5.078 ( -0.009 17.507 -2.923) 17.750 6.079 ( -1.209 18.048 3.854) 18.495 9.169 ( -0.193 2.166 0.323) 2.199 9.477 ( 2.390 -13.975 0.615) 14.192 9.826 ( 1.156 -6.261 6.641) 9.200 9.880 ( -4.191 3.377 2.141) 5.792 10.188 ( 3.276 -0.278 -3.255) 4.626 10.532 ( -1.651 13.136 -5.472) 14.325 ======================= Grid point 376 (182/242) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -2.097 -5.034 1.671) 5.703 0.785 ( -0.987 -5.499 0.171) 5.590 1.062 ( -0.590 0.634 -0.838) 1.205 1.174 ( 6.144 0.896 -2.243) 6.601 1.286 ( 0.298 -1.387 1.087) 1.787 1.367 ( 0.332 -4.987 0.686) 5.045 1.518 ( 4.256 -1.277 3.905) 5.915 1.646 ( 1.872 -2.173 -5.216) 5.952 1.731 ( -2.605 -5.599 -0.948) 6.248 1.781 ( -3.186 -0.022 2.194) 3.868 1.895 ( -0.528 -1.817 -4.662) 5.031 2.018 ( -2.116 -9.868 1.640) 10.225 2.173 ( 0.218 -2.252 -0.911) 2.439 2.235 ( 1.287 -3.255 0.691) 3.567 2.429 ( -0.228 0.871 -1.323) 1.600 2.452 ( 1.216 -1.661 1.370) 2.473 2.612 ( 1.696 1.200 -4.285) 4.762 2.718 ( -1.395 -4.714 0.106) 4.917 2.837 ( -0.490 1.770 1.656) 2.473 3.082 ( -1.889 -5.596 5.451) 8.037 3.498 ( 0.678 -1.820 -1.456) 2.427 4.557 ( -3.715 24.820 -0.253) 25.097 4.938 ( 7.929 -13.116 -4.994) 16.120 5.785 ( -0.389 12.028 1.751) 12.161 9.091 ( 0.129 5.456 -0.076) 5.458 9.637 ( -0.306 1.556 2.269) 2.768 9.845 ( -0.825 -4.277 2.968) 5.271 9.987 ( 0.601 -5.792 7.161) 9.230 10.210 ( 1.820 -1.741 -6.034) 6.539 10.321 ( 0.124 5.426 -4.000) 6.742 ======================= Grid point 377 (183/242) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.710 -6.820 -2.522) 7.306 0.933 ( 6.147 -5.691 2.425) 8.721 1.048 ( 2.127 0.758 2.780) 3.582 1.184 ( 1.963 -1.051 -2.131) 3.082 1.312 ( 1.449 -0.934 -1.093) 2.042 1.476 ( -0.254 -5.796 -0.230) 5.806 1.557 ( 2.674 0.209 3.296) 4.250 1.641 ( -0.008 1.357 -4.246) 4.458 1.723 ( -1.779 2.011 -1.477) 3.065 1.827 ( -2.779 -2.191 1.470) 3.832 1.896 ( -0.058 -0.021 -6.247) 6.247 2.152 ( -3.896 -5.382 1.148) 6.742 2.255 ( 0.652 -3.421 1.429) 3.764 2.302 ( 1.871 -4.967 0.844) 5.374 2.377 ( -1.509 2.885 -0.625) 3.315 2.504 ( 1.310 -1.773 0.337) 2.230 2.572 ( 1.604 1.823 -4.168) 4.824 2.735 ( -0.020 1.772 -0.189) 1.783 2.861 ( -1.139 -2.455 1.991) 3.360 3.202 ( -3.779 -6.459 7.973) 10.934 3.561 ( 1.818 -4.284 -3.591) 5.878 3.985 ( -1.669 28.958 -0.460) 29.010 5.204 ( 5.639 -10.262 -3.776) 12.303 5.620 ( 0.071 5.824 1.012) 5.912 8.980 ( 0.581 5.704 -0.650) 5.771 9.539 ( -1.645 6.109 3.098) 7.044 9.897 ( -2.179 0.151 3.576) 4.190 10.106 ( 0.965 -4.124 7.208) 8.360 10.256 ( 0.445 -4.336 -7.750) 8.891 10.306 ( 3.329 -2.071 -2.237) 4.514 ======================= Grid point 378 (184/242) ======================= q-point: (-0.08 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.025 1.090 -1.827) 2.128 1.010 ( 3.459 -3.967 -0.973) 5.352 1.071 ( 3.388 1.674 0.860) 3.876 1.267 ( 0.963 -4.769 0.638) 4.907 1.346 ( 3.034 -2.301 -0.284) 3.819 1.551 ( -0.114 0.228 0.202) 0.325 1.567 ( 0.868 -0.744 -0.984) 1.508 1.611 ( -0.551 -1.056 0.417) 1.262 1.670 ( 0.966 1.952 -2.086) 3.016 1.817 ( -2.191 1.259 1.334) 2.857 1.870 ( 1.390 0.850 -6.862) 7.053 2.200 ( -2.877 0.996 0.371) 3.067 2.279 ( -1.893 -1.103 -1.784) 2.825 2.321 ( -1.415 1.016 3.643) 4.038 2.437 ( 1.895 -5.891 1.160) 6.296 2.527 ( 0.942 0.154 -0.263) 0.990 2.548 ( 0.584 0.306 -3.247) 3.313 2.698 ( 1.079 1.889 -0.680) 2.280 2.887 ( -1.383 -0.650 2.211) 2.687 3.311 ( -4.162 -4.398 8.446) 10.392 3.514 ( -0.657 16.472 -0.266) 16.488 3.646 ( 2.458 -2.880 -4.690) 6.027 5.369 ( 3.429 -5.237 -2.942) 6.916 5.551 ( 0.205 1.965 0.959) 2.196 8.890 ( 0.751 3.498 -1.034) 3.724 9.437 ( -1.447 3.995 2.652) 5.008 9.878 ( -2.542 0.877 4.647) 5.369 10.166 ( -1.039 -0.474 5.395) 5.515 10.315 ( 1.999 -2.379 -4.940) 5.836 10.391 ( 2.678 -4.941 -3.104) 6.421 ======================= Grid point 386 (185/242) ======================= q-point: (-0.42 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -8.190 0.000 -6.119) 10.223 0.828 ( -10.242 0.000 1.451) 10.344 1.030 ( -2.110 0.000 3.038) 3.698 1.142 ( 1.638 -0.000 -1.278) 2.078 1.193 ( 0.772 -0.000 -2.259) 2.387 1.263 ( 1.147 -0.000 3.434) 3.620 1.419 ( 2.928 -0.000 -3.334) 4.437 1.430 ( -10.838 0.000 4.239) 11.638 1.488 ( 3.496 -0.000 0.784) 3.582 1.592 ( 1.288 -0.000 4.773) 4.944 1.829 ( 2.446 -0.000 0.113) 2.448 1.870 ( 5.054 -0.000 -0.864) 5.128 2.002 ( 2.744 -0.000 -2.038) 3.418 2.022 ( -1.155 0.000 0.254) 1.183 2.267 ( -0.554 0.000 -0.014) 0.554 2.300 ( 0.121 -0.000 1.070) 1.077 2.562 ( 2.334 -0.000 -2.395) 3.344 2.785 ( -0.037 0.000 -2.946) 2.946 2.887 ( 0.892 -0.000 2.383) 2.544 3.213 ( 0.598 -0.000 -3.650) 3.699 3.559 ( -2.389 0.000 2.264) 3.291 3.602 ( -0.090 0.000 0.142) 0.169 5.399 ( -1.735 0.000 -3.844) 4.217 6.576 ( -0.179 0.000 9.311) 9.313 9.060 ( 0.153 -0.000 -0.335) 0.369 9.151 ( -0.205 0.000 0.317) 0.378 9.666 ( 1.271 -0.000 4.724) 4.892 9.996 ( -4.088 0.000 1.771) 4.455 10.200 ( 3.212 -0.000 -0.763) 3.301 10.900 ( 0.305 -0.000 -6.784) 6.791 ======================= Grid point 387 (186/242) ======================= q-point: (-0.33 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -9.236 -0.483 -3.351) 9.837 0.736 ( -11.418 2.720 3.105) 12.141 1.037 ( -4.777 -1.161 0.776) 4.977 1.166 ( 1.895 -2.138 -1.909) 3.435 1.223 ( 3.751 -2.836 -0.612) 4.743 1.257 ( -1.320 0.442 2.064) 2.490 1.426 ( -2.581 -3.270 1.031) 4.292 1.487 ( -4.452 -6.322 3.185) 8.362 1.541 ( 7.596 -1.127 -3.399) 8.397 1.634 ( 2.941 -3.180 4.014) 5.905 1.790 ( 1.272 2.084 1.199) 2.720 1.935 ( -2.182 1.697 -1.415) 3.105 2.007 ( 5.106 -6.107 -0.863) 8.007 2.120 ( 2.011 -4.390 -0.432) 4.848 2.311 ( 0.567 -4.245 -0.592) 4.323 2.323 ( -1.786 -3.359 2.083) 4.337 2.555 ( 1.336 0.809 -4.253) 4.531 2.754 ( 0.182 2.234 -2.663) 3.481 2.908 ( 0.546 -0.752 3.264) 3.393 3.059 ( -0.617 7.793 -2.340) 8.160 3.513 ( -1.443 1.343 2.117) 2.893 3.984 ( 3.344 -27.305 -2.814) 27.652 5.302 ( -2.620 7.795 -3.621) 8.986 6.439 ( 1.350 15.875 8.514) 18.065 9.170 ( -0.386 -1.424 0.318) 1.509 9.208 ( 1.880 -13.366 -0.210) 13.499 9.730 ( 2.459 -4.448 4.843) 7.021 9.947 ( -3.555 3.336 3.270) 5.870 10.206 ( 3.151 0.704 -2.017) 3.807 10.760 ( -1.919 11.360 -6.014) 12.996 ======================= Grid point 388 (187/242) ======================= q-point: (-0.25 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -7.791 -3.827 3.707) 9.439 0.690 ( -4.797 -2.678 1.481) 5.690 1.037 ( -3.247 -1.627 -1.775) 4.042 1.214 ( 5.326 -0.762 -3.401) 6.364 1.270 ( 0.936 -0.862 1.821) 2.221 1.301 ( 1.167 -3.264 1.472) 3.767 1.493 ( -0.859 -4.226 3.197) 5.368 1.589 ( 0.556 -3.474 -3.967) 5.303 1.604 ( 2.929 -4.638 0.279) 5.492 1.759 ( -1.006 -1.822 0.398) 2.119 1.802 ( 0.199 -7.230 3.272) 7.939 1.893 ( -1.498 0.270 -1.944) 2.469 2.136 ( 1.664 -3.455 -1.367) 4.071 2.173 ( 1.091 -2.707 -0.458) 2.954 2.384 ( 0.490 -3.542 0.035) 3.576 2.433 ( -2.128 -4.384 1.887) 5.226 2.552 ( 1.382 -3.025 -4.549) 5.635 2.700 ( 0.502 2.540 -2.083) 3.323 2.892 ( -1.652 3.064 2.638) 4.368 3.006 ( 1.043 -2.174 0.404) 2.445 3.489 ( -0.690 0.683 0.922) 1.339 4.506 ( 5.711 -22.230 -4.146) 23.323 5.052 ( -1.823 15.476 -3.799) 16.040 6.100 ( 0.653 19.378 5.394) 20.126 9.166 ( -0.512 2.033 0.267) 2.113 9.507 ( 3.262 -13.782 -0.926) 14.193 9.845 ( -2.969 0.700 0.678) 3.125 9.895 ( 3.625 -3.775 9.963) 11.254 10.199 ( 2.224 0.667 -5.374) 5.854 10.488 ( -2.441 12.157 -2.377) 12.626 ======================= Grid point 389 (188/242) ======================= q-point: (-0.17 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -0.781 -6.436 0.897) 6.545 0.808 ( 2.764 -9.495 5.241) 11.192 1.054 ( 0.214 -1.208 -1.403) 1.864 1.214 ( 2.729 1.484 -3.375) 4.587 1.312 ( 3.968 -0.521 1.718) 4.355 1.370 ( -0.258 -4.310 -0.001) 4.318 1.568 ( 1.531 -1.887 3.336) 4.127 1.636 ( 1.273 -1.746 -5.443) 5.857 1.690 ( -3.326 -2.637 -1.511) 4.506 1.771 ( -1.262 -2.310 3.821) 4.640 1.863 ( -0.527 -0.759 -4.839) 4.926 2.003 ( -2.516 -8.351 1.909) 8.928 2.177 ( 0.989 -3.493 -0.834) 3.725 2.248 ( 0.518 -3.008 0.881) 3.177 2.408 ( -1.696 1.204 -2.955) 3.614 2.474 ( 1.306 -2.452 1.377) 3.101 2.608 ( 1.777 1.086 -4.337) 4.812 2.705 ( -1.282 -4.262 0.586) 4.488 2.842 ( -0.168 1.400 1.869) 2.341 3.086 ( -1.922 -5.162 4.659) 7.214 3.498 ( 0.748 -1.970 -1.372) 2.514 4.516 ( -3.617 24.176 -0.130) 24.446 4.996 ( 7.793 -12.955 -6.418) 16.424 5.797 ( 0.432 12.623 2.766) 12.930 9.091 ( -0.095 5.234 -0.166) 5.238 9.640 ( -0.875 2.665 1.623) 3.240 9.848 ( -0.982 -4.623 1.993) 5.129 10.049 ( 3.843 -5.098 7.916) 10.170 10.171 ( -1.397 -0.365 -9.174) 9.287 10.335 ( 2.937 3.212 1.540) 4.617 ======================= Grid point 390 (189/242) ======================= q-point: (-0.08 -0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 1.565 -6.252 -1.427) 6.601 1.009 ( 5.500 -2.623 0.469) 6.112 1.105 ( 4.592 -5.037 5.712) 8.893 1.192 ( 1.870 0.528 -3.103) 3.661 1.329 ( 2.116 -0.202 0.076) 2.127 1.469 ( -0.117 -5.529 -1.589) 5.754 1.597 ( 1.493 0.666 2.957) 3.379 1.622 ( 0.236 1.385 -2.845) 3.173 1.689 ( -2.607 0.173 -2.005) 3.293 1.808 ( -2.507 -0.747 2.478) 3.603 1.863 ( 0.265 -0.464 -6.863) 6.883 2.117 ( -3.774 -5.971 1.481) 7.217 2.264 ( -0.288 -1.572 0.434) 1.656 2.325 ( 1.983 -6.136 -0.163) 6.451 2.348 ( -2.945 2.419 -1.067) 3.958 2.523 ( 1.612 -1.196 0.765) 2.148 2.571 ( 1.841 1.943 -3.501) 4.407 2.732 ( -0.161 0.840 -0.637) 1.067 2.861 ( -0.727 -1.888 2.233) 3.014 3.200 ( -3.892 -6.337 7.705) 10.709 3.563 ( 1.792 -4.194 -3.433) 5.708 3.964 ( -1.652 27.888 -0.438) 27.940 5.246 ( 5.655 -9.377 -4.245) 11.744 5.630 ( 0.563 6.028 1.642) 6.273 8.982 ( 0.474 5.566 -0.727) 5.633 9.535 ( -1.820 6.029 2.707) 6.854 9.888 ( -2.524 0.174 2.944) 3.881 10.155 ( 1.264 -2.116 5.803) 6.305 10.214 ( 0.442 -6.073 -7.571) 9.716 10.352 ( 4.619 -1.268 1.275) 4.957 ======================= Grid point 399 (190/242) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -10.426 0.000 -1.014) 10.475 0.712 ( -12.701 0.000 2.828) 13.012 0.995 ( -5.360 0.000 -1.120) 5.476 1.125 ( -2.989 0.000 -1.584) 3.383 1.176 ( -6.445 0.000 0.973) 6.518 1.297 ( -8.045 0.000 4.916) 9.428 1.316 ( 4.811 -0.000 3.148) 5.750 1.433 ( 3.080 -0.000 -3.577) 4.720 1.568 ( 5.543 -0.000 -1.497) 5.742 1.672 ( 8.287 -0.000 4.370) 9.369 1.866 ( 4.179 -0.000 -0.011) 4.179 1.901 ( 1.122 -0.000 0.537) 1.244 2.009 ( -1.668 0.000 0.642) 1.787 2.049 ( 6.644 -0.000 0.021) 6.644 2.256 ( -1.267 0.000 -0.157) 1.276 2.296 ( -1.224 0.000 -0.237) 1.247 2.557 ( 0.570 -0.000 -5.340) 5.370 2.771 ( -0.123 0.000 -2.130) 2.134 2.914 ( 1.755 -0.000 2.015) 2.672 3.186 ( -1.691 0.000 -4.586) 4.888 3.544 ( -2.589 0.000 2.807) 3.819 3.601 ( -0.180 0.000 0.073) 0.194 5.348 ( -4.251 0.000 -3.466) 5.485 6.663 ( 6.594 -0.000 11.781) 13.501 9.060 ( 0.127 -0.000 -0.363) 0.385 9.150 ( -0.239 0.000 0.330) 0.407 9.715 ( 3.685 -0.000 4.032) 5.462 9.972 ( -2.727 0.000 4.505) 5.266 10.227 ( 2.862 -0.000 -1.817) 3.390 10.853 ( -2.777 0.000 -7.433) 7.935 ======================= Grid point 400 (191/242) ======================= q-point: (-0.25 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -9.701 -1.427 2.865) 10.216 0.633 ( -11.065 0.305 5.310) 12.277 0.977 ( -5.026 -1.468 -2.795) 5.936 1.146 ( -4.329 -4.863 -0.429) 6.525 1.211 ( -6.476 -5.920 0.341) 8.781 1.274 ( 3.330 0.145 1.112) 3.514 1.413 ( 0.167 -3.608 2.760) 4.545 1.484 ( 2.191 -4.671 0.445) 5.178 1.603 ( 5.160 -1.315 -2.727) 5.982 1.702 ( 5.767 0.014 3.029) 6.515 1.822 ( 2.884 3.488 2.006) 4.951 1.909 ( -0.727 1.849 -1.762) 2.656 2.049 ( 3.037 -5.310 -0.235) 6.121 2.139 ( 1.238 -2.327 0.328) 2.656 2.301 ( -3.090 -5.055 1.607) 6.139 2.319 ( 0.897 -3.716 -1.283) 4.032 2.537 ( 0.443 0.577 -5.882) 5.927 2.745 ( 0.239 2.012 -1.839) 2.736 2.924 ( -0.730 0.509 2.726) 2.867 3.041 ( 0.009 5.685 -2.764) 6.321 3.508 ( -1.534 1.212 2.104) 2.872 4.009 ( 4.698 -29.443 -4.613) 30.170 5.244 ( -4.965 7.346 -3.254) 9.445 6.524 ( 5.645 19.238 10.022) 22.415 9.167 ( -0.540 -1.216 0.340) 1.373 9.231 ( 2.896 -14.775 -1.044) 15.092 9.784 ( 3.669 -3.697 1.192) 5.343 9.951 ( -0.033 2.267 8.871) 9.156 10.221 ( 2.243 1.322 -4.081) 4.841 10.696 ( -5.161 10.778 -4.477) 12.761 ======================= Grid point 401 (192/242) ======================= q-point: (-0.17 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -4.516 -6.829 6.316) 10.340 0.666 ( -2.121 -6.466 5.662) 8.852 0.995 ( -2.038 -3.316 -3.230) 5.058 1.206 ( -1.195 -2.201 -5.209) 5.780 1.299 ( -3.541 -5.032 1.512) 6.336 1.312 ( 3.692 -1.738 0.912) 4.181 1.488 ( -1.889 -5.155 2.593) 6.072 1.580 ( 0.655 -3.053 0.871) 3.241 1.647 ( 4.735 -1.189 -2.619) 5.540 1.775 ( 2.115 1.533 3.317) 4.222 1.817 ( 0.683 -5.963 0.059) 6.002 1.881 ( 0.807 -0.373 -0.736) 1.154 2.133 ( -0.761 -1.304 -2.030) 2.530 2.181 ( 0.388 -4.168 0.554) 4.223 2.380 ( -0.960 -3.184 -1.217) 3.541 2.413 ( -2.473 -4.334 0.417) 5.007 2.548 ( 1.873 -3.778 -4.011) 5.820 2.698 ( 0.629 2.330 -1.263) 2.724 2.887 ( -1.622 2.417 2.585) 3.893 3.018 ( 1.191 -1.813 -0.551) 2.238 3.486 ( -0.650 0.472 0.895) 1.203 4.551 ( 7.215 -21.077 -5.726) 23.002 5.001 ( -3.827 13.141 -4.311) 14.350 6.144 ( 1.862 21.556 6.302) 22.535 9.161 ( -0.781 1.941 0.270) 2.110 9.536 ( 3.502 -12.871 -2.127) 13.507 9.819 ( -2.577 0.980 0.813) 2.874 10.007 ( 7.524 -3.577 10.437) 13.355 10.172 ( -0.991 2.646 -8.957) 9.392 10.464 ( -1.926 8.565 2.743) 9.197 ======================= Grid point 402 (193/242) ======================= q-point: (-0.08 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 0.309 -7.374 1.576) 7.546 0.886 ( 5.317 -11.843 7.154) 14.822 1.051 ( 0.558 -2.981 -1.750) 3.502 1.204 ( 0.556 -0.288 -5.522) 5.558 1.347 ( -2.677 -1.814 0.502) 3.272 1.385 ( 5.285 -2.289 0.903) 5.830 1.586 ( -1.054 -3.918 2.916) 4.996 1.619 ( -1.057 -1.667 -1.729) 2.624 1.660 ( -0.095 0.796 -1.278) 1.509 1.788 ( 0.316 -1.310 3.769) 4.002 1.844 ( 2.326 0.392 -5.446) 5.935 1.981 ( -3.163 -6.277 1.422) 7.171 2.179 ( -0.083 -5.233 -0.978) 5.324 2.257 ( 0.299 -3.054 1.144) 3.275 2.366 ( -2.507 1.578 -4.339) 5.254 2.489 ( 0.423 -3.543 0.990) 3.703 2.607 ( 1.887 0.480 -4.049) 4.492 2.697 ( -0.826 -3.057 0.661) 3.235 2.852 ( 0.144 0.960 2.077) 2.293 3.086 ( -2.082 -4.841 3.956) 6.589 3.500 ( 0.822 -2.116 -1.302) 2.616 4.480 ( -2.843 24.323 -0.074) 24.489 5.038 ( 6.388 -14.038 -7.421) 17.115 5.820 ( 0.864 13.410 3.313) 13.840 9.088 ( -0.322 4.960 -0.189) 4.974 9.637 ( -1.016 3.446 1.491) 3.890 9.843 ( -1.361 -4.415 1.240) 4.783 10.098 ( -2.379 -1.401 -8.388) 8.831 10.146 ( 5.695 -2.934 6.635) 9.223 10.385 ( 3.411 1.905 4.049) 5.626 ======================= Grid point 412 (194/242) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -9.393 0.000 5.683) 10.978 0.592 ( -12.883 0.000 5.044) 13.836 0.911 ( -9.237 0.000 -0.062) 9.237 1.072 ( -4.379 0.000 -2.827) 5.212 1.079 ( -10.509 0.000 4.654) 11.493 1.309 ( 3.052 -0.000 2.552) 3.979 1.378 ( 3.299 -0.000 2.354) 4.053 1.457 ( 4.651 -0.000 -2.478) 5.270 1.607 ( 3.462 -0.000 -0.779) 3.549 1.763 ( 5.204 -0.000 -0.025) 5.204 1.915 ( 4.769 -0.000 -0.514) 4.797 1.923 ( 3.983 -0.000 -0.307) 3.994 1.994 ( -2.006 0.000 1.132) 2.304 2.126 ( 5.697 -0.000 1.608) 5.920 2.238 ( -1.854 0.000 -0.257) 1.872 2.269 ( -3.196 0.000 -1.405) 3.491 2.529 ( 0.139 -0.000 -6.578) 6.579 2.766 ( 0.838 -0.000 -0.384) 0.921 2.934 ( 0.027 -0.000 1.054) 1.054 3.137 ( -2.534 0.000 -4.673) 5.316 3.531 ( -2.532 0.000 3.027) 3.946 3.599 ( -0.231 0.000 0.002) 0.231 5.276 ( -6.086 0.000 -2.260) 6.492 6.833 ( 13.670 -0.000 11.218) 17.684 9.060 ( 0.111 -0.000 -0.390) 0.406 9.149 ( -0.249 0.000 0.341) 0.422 9.772 ( 4.029 -0.000 -0.543) 4.065 10.001 ( 2.480 -0.000 9.969) 10.273 10.239 ( 1.833 -0.000 -3.808) 4.227 10.763 ( -7.560 0.000 -6.037) 9.674 ======================= Grid point 413 (195/242) ======================= q-point: (-0.17 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -6.813 -2.963 9.042) 11.703 0.562 ( -7.888 -3.368 8.651) 12.183 0.906 ( -5.442 -3.293 -2.246) 6.745 1.090 ( -5.501 -5.930 1.030) 8.154 1.130 ( -7.029 -7.028 -1.263) 10.020 1.311 ( 2.087 0.444 0.713) 2.250 1.430 ( 1.143 -1.685 -0.045) 2.036 1.534 ( 4.946 -4.206 2.244) 6.870 1.637 ( 3.212 -2.004 -1.008) 3.918 1.763 ( 3.758 0.727 -0.070) 3.828 1.865 ( 2.545 4.451 2.499) 5.704 1.914 ( 3.858 1.969 -1.746) 4.671 2.069 ( 1.051 -4.930 -0.661) 5.084 2.139 ( -1.773 0.543 -0.087) 1.856 2.265 ( -5.011 -5.050 1.770) 7.331 2.321 ( 1.190 -4.746 -3.201) 5.847 2.513 ( 0.595 -0.262 -5.706) 5.743 2.746 ( 1.102 2.377 0.021) 2.621 2.917 ( -2.877 1.329 2.760) 4.203 3.036 ( 1.888 3.129 -3.527) 5.079 3.501 ( -1.628 1.022 1.847) 2.666 4.036 ( 5.632 -31.774 -6.993) 33.018 5.169 ( -6.161 7.215 -1.922) 9.680 6.649 ( 7.816 24.509 8.918) 27.227 9.162 ( -0.609 -0.933 0.381) 1.177 9.258 ( 3.608 -16.072 -2.078) 16.603 9.802 ( 0.756 -1.297 -3.002) 3.356 10.051 ( 8.182 -0.206 11.561) 14.165 10.203 ( -0.973 3.058 -7.241) 7.920 10.615 ( -7.272 7.839 1.055) 10.744 ======================= Grid point 414 (196/242) ======================= q-point: (-0.08 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -2.409 -7.666 6.368) 10.252 0.708 ( 2.220 -10.435 9.900) 14.554 0.963 ( -0.793 -4.975 -3.313) 6.030 1.157 ( -1.905 -2.972 -7.037) 7.872 1.248 ( -6.358 -7.102 1.903) 9.721 1.336 ( 0.212 -3.068 -0.015) 3.075 1.484 ( -1.019 -4.424 1.599) 4.813 1.601 ( 1.260 -0.862 1.308) 2.011 1.693 ( 5.402 0.248 0.381) 5.421 1.804 ( 0.183 0.567 1.807) 1.902 1.839 ( 3.637 -3.220 0.242) 4.864 1.899 ( 2.916 1.009 -0.313) 3.101 2.099 ( -3.340 -1.567 -2.360) 4.379 2.186 ( -0.003 -4.633 0.853) 4.711 2.350 ( -2.739 -2.305 -2.697) 4.482 2.390 ( -1.314 -5.180 -0.582) 5.376 2.547 ( 1.222 -4.075 -3.794) 5.700 2.703 ( 0.978 2.269 -0.006) 2.471 2.886 ( -0.988 1.488 2.871) 3.382 3.024 ( 0.820 -1.219 -1.544) 2.131 3.484 ( -0.601 0.150 0.714) 0.946 4.601 ( 8.115 -20.900 -7.760) 23.725 4.930 ( -5.344 11.835 -3.557) 13.464 6.195 ( 1.590 23.797 6.143) 24.629 9.153 ( -0.910 1.917 0.333) 2.148 9.562 ( 3.488 -11.771 -2.441) 12.517 9.797 ( -2.196 0.505 0.704) 2.361 10.084 ( -5.072 3.781 -9.142) 11.118 10.153 ( 9.055 -2.062 7.143) 11.715 10.478 ( 0.168 4.879 6.774) 8.350 ======================= Grid point 425 (197/242) ======================= q-point: (-0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -4.706 0.000 12.477) 13.335 0.495 ( -10.764 0.000 7.997) 13.410 0.816 ( -10.727 0.000 7.887) 13.314 1.007 ( -4.278 0.000 -4.368) 6.114 1.017 ( -3.450 0.000 -0.128) 3.453 1.359 ( 3.510 -0.000 2.675) 4.413 1.405 ( 0.998 -0.000 0.223) 1.023 1.510 ( 5.732 -0.000 0.175) 5.735 1.629 ( 0.560 -0.000 -0.940) 1.094 1.796 ( 3.732 -0.000 -1.872) 4.175 1.957 ( 3.150 -0.000 -1.301) 3.409 1.978 ( 5.985 -0.000 -1.761) 6.239 1.981 ( -1.025 0.000 1.673) 1.962 2.164 ( 0.778 -0.000 -1.226) 1.452 2.208 ( -6.454 0.000 -3.180) 7.195 2.216 ( -2.052 0.000 -0.235) 2.065 2.498 ( -0.075 0.000 -5.539) 5.539 2.797 ( 4.223 -0.000 2.849) 5.094 2.922 ( -3.066 0.000 1.641) 3.477 3.099 ( -0.304 0.000 -4.210) 4.221 3.520 ( -2.330 0.000 2.951) 3.760 3.596 ( -0.229 0.000 -0.049) 0.234 5.204 ( -5.642 0.000 -0.351) 5.653 7.041 ( 15.692 -0.000 4.727) 16.389 9.059 ( 0.111 -0.000 -0.409) 0.424 9.148 ( -0.234 0.000 0.348) 0.420 9.783 ( 0.561 -0.000 -4.444) 4.479 10.116 ( 7.818 -0.000 4.827) 9.188 10.225 ( 0.257 -0.000 -2.961) 2.972 10.651 ( -9.370 0.000 2.392) 9.670 ======================= Grid point 426 (198/242) ======================= q-point: (-0.08 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( -4.599 -3.884 10.775) 12.342 0.567 ( -1.492 -7.274 12.466) 14.510 0.850 ( -4.578 -5.047 3.480) 7.652 1.036 ( -3.476 -5.385 -5.833) 8.667 1.065 ( -3.739 -6.674 1.014) 7.717 1.326 ( 0.128 2.074 0.860) 2.249 1.435 ( 0.296 -1.120 -1.306) 1.745 1.587 ( 1.997 -1.854 0.898) 2.869 1.664 ( 2.570 -4.935 0.989) 5.651 1.801 ( 4.707 0.873 -1.238) 4.945 1.897 ( 1.799 3.957 1.524) 4.607 1.965 ( 5.366 2.088 -0.379) 5.771 2.058 ( -3.143 -1.545 -1.537) 3.825 2.106 ( -2.906 -1.278 -0.510) 3.215 2.218 ( -4.731 -5.923 1.194) 7.674 2.307 ( 0.339 -4.930 -5.566) 7.443 2.491 ( 0.051 -0.958 -4.203) 4.311 2.772 ( 2.398 4.049 2.352) 5.261 2.902 ( -2.156 0.475 3.305) 3.974 3.040 ( 2.129 2.272 -4.338) 5.340 3.491 ( -1.656 0.770 1.534) 2.385 4.055 ( 4.948 -33.406 -8.810) 34.901 5.103 ( -4.436 7.603 -0.166) 8.804 6.759 ( 4.923 29.409 5.733) 30.365 9.158 ( -0.569 -0.628 0.430) 0.950 9.285 ( 3.505 -17.147 -2.943) 17.747 9.780 ( -1.311 -0.891 -4.274) 4.558 10.105 ( -6.893 3.135 -8.190) 11.154 10.216 ( 9.289 1.459 6.344) 11.343 10.583 ( -1.780 3.825 8.491) 9.481 ======================= Grid point 438 (199/242) ======================= q-point: (-0.08 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -5.768 0.000 10.619) 12.085 0.497 ( -2.107 0.000 14.140) 14.297 0.786 ( -4.635 0.000 15.862) 16.525 0.941 ( -3.215 0.000 -5.659) 6.509 0.996 ( 1.609 -0.000 -4.931) 5.186 1.403 ( 2.016 -0.000 1.607) 2.578 1.410 ( 0.275 -0.000 -0.350) 0.445 1.569 ( 4.370 -0.000 0.943) 4.471 1.605 ( -2.673 0.000 -2.554) 3.697 1.841 ( 4.934 -0.000 -0.907) 5.016 1.957 ( -1.447 0.000 0.827) 1.667 1.998 ( 2.123 -0.000 -0.731) 2.246 2.017 ( 2.560 -0.000 -2.409) 3.516 2.097 ( -10.353 0.000 -2.365) 10.620 2.143 ( -0.644 0.000 -4.557) 4.603 2.195 ( -1.370 0.000 -0.085) 1.372 2.480 ( 1.034 -0.000 -3.299) 3.457 2.870 ( 3.555 -0.000 3.579) 5.045 2.904 ( -0.446 0.000 3.112) 3.144 3.084 ( 1.285 -0.000 -4.378) 4.562 3.512 ( -1.672 0.000 2.868) 3.320 3.594 ( -0.175 0.000 -0.069) 0.188 5.163 ( -1.759 0.000 0.668) 1.882 7.173 ( 6.251 -0.000 -2.173) 6.618 9.058 ( 0.126 -0.000 -0.414) 0.433 9.147 ( -0.197 0.000 0.350) 0.401 9.743 ( -3.268 0.000 -5.701) 6.571 10.081 ( -8.224 0.000 -4.977) 9.613 10.290 ( 5.800 -0.000 2.026) 6.143 10.644 ( 3.341 -0.000 9.517) 10.086 ======================= Grid point 439 (200/242) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 0.000 -0.000 0.000) 0.000 0.710 ( 0.000 -0.000 0.000) 0.000 0.792 ( 0.000 -0.000 0.000) 0.000 0.858 ( 0.000 -0.000 0.000) 0.000 1.101 ( -0.000 0.000 0.000) 0.000 1.359 ( 0.000 -0.000 0.000) 0.000 1.405 ( -0.000 0.000 0.000) 0.000 1.541 ( 0.000 -0.000 0.000) 0.000 1.614 ( -0.000 0.000 0.000) 0.000 1.861 ( -0.000 0.000 0.000) 0.000 1.963 ( 0.000 -0.000 0.000) 0.000 1.978 ( -0.000 0.000 0.000) 0.000 1.990 ( -0.000 0.000 0.000) 0.000 2.027 ( 0.000 -0.000 0.000) 0.000 2.073 ( 0.000 -0.000 0.000) 0.000 2.188 ( 0.000 -0.000 0.000) 0.000 2.452 ( 0.000 -0.000 0.000) 0.000 2.935 ( 0.000 -0.000 0.000) 0.000 2.961 ( -0.000 0.000 0.000) 0.000 3.019 ( 0.000 -0.000 -0.000) 0.000 3.541 ( 0.000 -0.000 0.000) 0.000 3.592 ( 0.000 -0.000 0.000) 0.000 5.169 ( 0.000 -0.000 0.000) 0.000 7.148 ( 0.000 -0.000 0.000) 0.000 9.053 ( 0.000 -0.000 0.000) 0.000 9.151 ( 0.000 -0.000 0.000) 0.000 9.643 ( -0.000 0.000 0.000) 0.000 10.008 ( -0.000 0.000 0.000) 0.000 10.327 ( -0.000 0.000 0.000) 0.000 10.787 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 441 (201/242) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 0.963 -5.920 -5.147) 7.903 0.757 ( 1.134 -4.497 -1.501) 4.874 0.813 ( 1.590 -2.072 5.891) 6.444 0.924 ( -4.344 -6.479 -2.130) 8.086 1.116 ( 4.742 -2.330 -2.967) 6.059 1.296 ( 0.186 5.232 1.786) 5.532 1.447 ( -0.169 -3.567 -1.399) 3.836 1.516 ( 1.213 -2.288 2.806) 3.818 1.739 ( -1.830 -6.590 -0.896) 6.898 1.827 ( -5.254 1.063 0.917) 5.439 1.925 ( -3.380 1.680 0.807) 3.860 1.979 ( 5.330 0.824 0.018) 5.393 2.020 ( -0.663 0.786 -1.008) 1.440 2.077 ( -0.223 -6.356 0.702) 6.399 2.171 ( 0.736 -7.561 1.539) 7.751 2.208 ( 3.191 -1.644 -0.869) 3.693 2.454 ( -0.352 -0.786 0.104) 0.868 2.859 ( -0.782 7.647 -1.312) 7.798 2.946 ( -0.231 -1.257 0.770) 1.492 2.971 ( -0.156 2.282 -0.186) 2.295 3.495 ( 0.388 1.032 0.105) 1.108 3.981 ( -0.607 -29.023 0.419) 29.032 5.089 ( 1.979 8.603 -0.779) 8.862 6.823 ( -2.353 27.175 0.977) 27.294 9.159 ( 0.098 -0.427 0.027) 0.439 9.268 ( -1.096 -17.407 0.314) 17.444 9.671 ( 1.078 -2.646 1.502) 3.228 9.970 ( 0.621 4.039 1.370) 4.310 10.323 ( -1.442 -0.079 -0.500) 1.528 10.745 ( 0.196 3.823 -2.556) 4.603 ======================= Grid point 442 (202/242) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.954 -4.214 -8.748) 9.757 0.886 ( -0.366 -7.462 2.228) 7.796 0.904 ( 2.825 -4.240 5.293) 7.347 1.030 ( -6.035 -8.772 -4.540) 11.575 1.235 ( 3.267 -0.375 -1.470) 3.602 1.254 ( 4.208 -5.862 4.378) 8.440 1.511 ( -0.925 -3.390 -0.777) 3.599 1.602 ( 1.224 -3.967 1.198) 4.321 1.779 ( -5.726 0.631 1.140) 5.872 1.822 ( -3.325 -3.115 -1.321) 4.744 1.891 ( 0.248 1.116 -0.493) 1.245 1.958 ( -1.713 1.971 -1.926) 3.245 2.030 ( 2.502 -2.593 -1.040) 3.750 2.201 ( 0.672 -1.351 3.026) 3.381 2.208 ( 1.901 -3.333 1.637) 4.172 2.372 ( 2.641 -8.525 -0.824) 8.963 2.497 ( -0.432 -3.700 0.857) 3.822 2.739 ( -0.263 3.970 -1.083) 4.124 2.923 ( -0.811 2.191 -0.045) 2.337 2.998 ( -0.060 -4.358 0.308) 4.369 3.483 ( 0.306 0.438 0.154) 0.556 4.533 ( -2.886 -26.268 1.506) 26.469 4.863 ( 3.850 15.983 -0.752) 16.457 6.280 ( -1.787 25.313 0.015) 25.375 9.147 ( 0.264 2.201 0.200) 2.226 9.559 ( -3.185 -12.052 0.559) 12.479 9.766 ( 2.312 -5.473 0.998) 6.025 9.884 ( 1.544 5.206 3.300) 6.354 10.314 ( -2.862 -0.579 -1.726) 3.392 10.645 ( -0.818 4.979 -3.779) 6.304 ======================= Grid point 443 (203/242) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( -0.016 -3.733 -4.783) 6.067 0.987 ( 2.351 -3.032 2.192) 4.418 1.046 ( -2.405 -6.964 2.982) 7.948 1.170 ( -5.530 -9.846 -5.171) 12.420 1.267 ( 2.733 -2.330 3.097) 4.743 1.403 ( 1.037 -4.059 1.665) 4.508 1.561 ( -1.757 -2.567 2.426) 3.945 1.663 ( 0.321 -1.994 -2.310) 3.068 1.729 ( -4.439 1.973 -2.257) 5.357 1.801 ( -3.879 2.101 -1.106) 4.548 1.861 ( 1.228 1.264 -2.174) 2.799 1.976 ( 2.792 -4.218 -1.108) 5.178 2.127 ( 2.584 -5.013 1.884) 5.946 2.207 ( 3.663 0.539 4.561) 5.875 2.300 ( 0.137 -3.437 -0.821) 3.537 2.499 ( 0.020 -3.884 -0.756) 3.957 2.570 ( -0.804 -3.000 0.843) 3.218 2.697 ( 0.828 0.442 -0.146) 0.950 2.889 ( -0.723 0.504 -0.550) 1.039 3.117 ( -0.072 -7.701 0.405) 7.712 3.487 ( -0.111 -0.953 0.024) 0.959 4.458 ( 2.110 24.876 -0.338) 24.967 4.975 ( -2.501 -17.973 1.265) 18.190 5.881 ( -1.126 14.973 -0.676) 15.030 9.077 ( 0.103 5.026 0.366) 5.040 9.645 ( -0.809 2.714 0.399) 2.860 9.847 ( 0.323 -3.235 0.761) 3.339 9.908 ( 1.998 -5.226 3.750) 6.735 10.308 ( -3.344 -1.068 -2.565) 4.348 10.546 ( -2.284 3.032 -4.296) 5.733 ======================= Grid point 444 (204/242) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -1.231 -3.011 -1.047) 3.417 1.035 ( -0.509 -0.715 0.574) 1.048 1.131 ( -3.336 -2.779 2.689) 5.108 1.297 ( -3.047 -5.336 -3.854) 7.253 1.365 ( 2.241 -4.774 -0.246) 5.280 1.405 ( -5.988 0.114 2.317) 6.421 1.608 ( -1.350 -2.301 2.194) 3.454 1.636 ( -1.141 2.092 -1.961) 3.086 1.692 ( -2.316 0.583 -2.057) 3.152 1.763 ( 2.721 1.237 -0.629) 3.054 1.853 ( 1.392 -0.264 -3.092) 3.401 2.098 ( 4.062 -5.394 1.314) 6.879 2.174 ( 6.234 2.700 2.634) 7.287 2.293 ( -0.512 -6.216 2.933) 6.893 2.346 ( 0.412 -2.160 -1.056) 2.440 2.531 ( -1.002 -0.422 -0.648) 1.266 2.592 ( -2.017 -0.534 -1.314) 2.466 2.703 ( 0.910 0.556 1.049) 1.496 2.894 ( -0.165 -1.014 -0.621) 1.201 3.276 ( 0.082 -8.101 0.444) 8.113 3.524 ( -0.349 -2.903 -0.092) 2.925 3.944 ( 1.349 27.292 -0.131) 27.326 5.235 ( -3.080 -10.553 0.349) 10.999 5.671 ( -0.843 6.930 -0.746) 7.021 8.971 ( -0.202 5.527 0.345) 5.541 9.544 ( 0.388 5.973 0.621) 6.018 9.905 ( 1.019 -1.412 0.385) 1.783 10.039 ( 0.393 -6.346 4.225) 7.634 10.304 ( -2.816 -0.862 -2.894) 4.129 10.485 ( -2.576 0.988 -4.607) 5.370 ======================= Grid point 445 (205/242) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.881 0.290 0.551) 1.079 1.026 ( -5.103 -0.773 1.236) 5.307 1.120 ( -1.371 2.637 -1.081) 3.163 1.297 ( -0.057 0.468 -2.036) 2.089 1.389 ( -2.450 -1.208 0.743) 2.831 1.496 ( -0.704 -4.482 0.780) 4.603 1.611 ( -1.016 -0.150 1.092) 1.499 1.622 ( 0.219 2.175 -0.815) 2.333 1.658 ( -1.103 -1.048 -1.731) 2.305 1.760 ( 2.437 0.871 0.705) 2.682 1.870 ( -0.066 -1.678 -2.841) 3.300 2.110 ( 5.101 5.296 3.367) 8.087 2.239 ( 2.347 -4.728 -0.774) 5.335 2.365 ( 0.101 -1.471 2.373) 2.794 2.426 ( 0.925 -4.483 0.180) 4.581 2.518 ( -1.333 0.538 -0.972) 1.735 2.579 ( -1.701 -0.013 -1.981) 2.611 2.681 ( -0.045 2.065 1.003) 2.296 2.908 ( 0.127 -0.468 -0.267) 0.554 3.410 ( 0.197 -5.073 0.241) 5.082 3.508 ( 0.345 16.550 -0.036) 16.553 3.581 ( -0.269 -2.700 -0.025) 2.714 5.363 ( -2.005 -4.535 -0.223) 4.964 5.576 ( -0.576 2.707 -0.397) 2.796 8.880 ( -0.255 3.533 0.196) 3.548 9.452 ( 0.278 3.624 0.465) 3.664 9.922 ( 0.781 -0.093 0.017) 0.786 10.161 ( 0.044 -4.705 4.976) 6.848 10.293 ( -1.561 0.120 -3.434) 3.774 10.451 ( -1.570 0.442 -3.485) 3.848 ======================= Grid point 446 (206/242) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.000 0.000 0.000) 0.000 1.034 ( 0.000 0.000 -0.000) 0.000 1.069 ( -0.000 -0.000 0.000) 0.000 1.296 ( 0.000 0.000 0.000) 0.000 1.388 ( -0.000 0.000 0.000) 0.000 1.532 ( -0.000 0.000 -0.000) 0.000 1.580 ( -0.000 0.000 0.000) 0.000 1.636 ( -0.000 0.000 0.000) 0.000 1.668 ( -0.000 0.000 0.000) 0.000 1.759 ( -0.000 0.000 0.000) 0.000 1.887 ( -0.000 0.000 0.000) 0.000 2.065 ( -0.000 0.000 0.000) 0.000 2.295 ( -0.000 0.000 0.000) 0.000 2.386 ( -0.000 0.000 0.000) 0.000 2.470 ( -0.000 0.000 -0.000) 0.000 2.510 ( -0.000 0.000 0.000) 0.000 2.576 ( -0.000 0.000 0.000) 0.000 2.651 ( -0.000 0.000 0.000) 0.000 2.912 ( -0.000 0.000 0.000) 0.000 3.347 ( -0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 -0.000) 0.000 3.608 ( -0.000 0.000 0.000) 0.000 5.399 ( -0.000 0.000 0.000) 0.000 5.549 ( -0.000 0.000 0.000) 0.000 8.844 ( -0.000 0.000 0.000) 0.000 9.417 ( -0.000 0.000 0.000) 0.000 9.924 ( -0.000 0.000 -0.000) 0.000 10.227 ( -0.000 0.000 -0.000) 0.000 10.271 ( -0.000 -0.000 0.000) 0.000 10.437 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 454 (207/242) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 3.606 -0.000 -5.851) 6.873 0.717 ( 3.123 -0.000 -4.660) 5.609 0.822 ( -5.896 0.000 1.291) 6.035 0.825 ( 3.148 -0.000 5.241) 6.114 1.111 ( 6.527 -0.000 -9.527) 11.548 1.383 ( 0.639 -0.000 4.043) 4.093 1.403 ( -0.535 0.000 0.297) 0.612 1.545 ( 0.305 -0.000 2.606) 2.624 1.594 ( -2.925 0.000 -1.421) 3.252 1.812 ( -8.442 0.000 2.008) 8.678 1.955 ( -2.062 0.000 1.024) 2.302 1.968 ( -2.717 0.000 3.186) 4.187 1.994 ( 0.866 -0.000 -0.392) 0.951 2.051 ( 2.921 -0.000 1.354) 3.220 2.125 ( 8.810 -0.000 -2.231) 9.088 2.195 ( 1.292 -0.000 -0.093) 1.295 2.446 ( -1.146 0.000 0.247) 1.173 2.925 ( -2.683 0.000 -1.437) 3.043 2.944 ( -1.184 0.000 -0.435) 1.261 3.025 ( 1.006 -0.000 0.288) 1.046 3.545 ( 1.049 -0.000 -0.517) 1.170 3.592 ( 0.113 -0.000 0.071) 0.134 5.186 ( 3.779 -0.000 -1.766) 4.171 7.117 ( -7.368 0.000 3.597) 8.199 9.054 ( 0.033 -0.000 0.023) 0.041 9.151 ( 0.047 -0.000 -0.008) 0.047 9.659 ( 1.305 -0.000 3.165) 3.424 10.019 ( 0.841 -0.000 2.684) 2.813 10.312 ( -2.638 0.000 -0.605) 2.706 10.779 ( 1.325 -0.000 -5.315) 5.478 ======================= Grid point 455 (208/242) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 3.776 -4.046 -9.154) 10.697 0.769 ( 3.275 -4.973 -4.785) 7.639 0.832 ( -5.361 -3.307 0.843) 6.355 0.900 ( 3.810 -3.894 6.193) 8.248 1.165 ( 8.027 -4.230 -6.327) 11.062 1.308 ( -0.522 4.771 2.887) 5.601 1.435 ( -0.353 -3.096 -1.521) 3.467 1.554 ( 1.307 -2.010 4.205) 4.841 1.696 ( -4.535 -7.025 -1.993) 8.596 1.760 ( -7.199 0.624 2.668) 7.703 1.898 ( -2.645 1.789 0.812) 3.295 1.977 ( -4.358 0.964 -1.166) 4.613 2.041 ( 3.425 -1.234 0.306) 3.654 2.089 ( 1.769 -3.538 1.510) 4.234 2.206 ( 3.102 -3.939 2.846) 5.765 2.251 ( 5.318 -4.530 -1.558) 7.157 2.447 ( -1.174 -1.160 0.809) 1.838 2.830 ( -2.280 5.969 -3.268) 7.177 2.948 ( -0.707 -1.104 1.763) 2.197 2.970 ( 0.488 3.148 -0.374) 3.208 3.503 ( 0.966 1.181 0.235) 1.544 3.974 ( -1.465 -28.402 1.076) 28.460 5.122 ( 5.104 8.495 -1.878) 10.087 6.783 ( -6.464 25.714 2.054) 26.593 9.161 ( 0.263 -0.569 0.071) 0.631 9.251 ( -2.361 -16.220 0.814) 16.411 9.701 ( 1.527 -2.779 3.633) 4.822 9.997 ( 1.678 3.684 4.330) 5.928 10.287 ( -4.162 0.278 -2.164) 4.699 10.729 ( 1.263 4.336 -6.468) 7.888 ======================= Grid point 456 (209/242) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 3.285 -3.944 -9.357) 10.672 0.889 ( -5.208 -5.944 -0.999) 7.965 0.903 ( 1.778 -7.867 -3.415) 8.759 1.019 ( 3.317 -3.994 6.369) 8.217 1.263 ( 1.403 -0.132 1.985) 2.434 1.314 ( 4.212 -6.123 0.482) 7.448 1.497 ( -1.402 -3.519 0.460) 3.816 1.606 ( -1.806 -2.595 0.164) 3.165 1.723 ( -5.058 -0.290 -1.507) 5.286 1.778 ( -2.614 -2.149 1.145) 3.572 1.873 ( -2.540 0.274 -1.324) 2.877 1.928 ( -0.883 -0.940 -2.503) 2.816 2.069 ( 3.585 -1.124 0.628) 3.809 2.200 ( -0.045 -5.699 -0.436) 5.716 2.261 ( 2.611 -0.199 5.260) 5.876 2.403 ( 3.776 -6.597 -1.258) 7.704 2.495 ( -1.238 -4.054 1.715) 4.573 2.727 ( -0.436 2.950 -2.037) 3.611 2.913 ( -0.844 2.423 0.147) 2.569 2.999 ( -0.179 -4.339 0.625) 4.387 3.489 ( 0.489 0.810 0.179) 0.963 4.504 ( -3.940 -24.949 2.132) 25.348 4.911 ( 5.456 15.563 -0.705) 16.507 6.252 ( -3.230 24.280 -0.316) 24.496 9.152 ( 0.428 2.219 0.342) 2.286 9.526 ( -3.603 -12.310 1.323) 12.895 9.793 ( 1.613 -4.334 0.971) 4.726 9.934 ( 2.695 4.532 6.683) 8.512 10.257 ( -5.058 -0.835 -4.061) 6.540 10.609 ( -0.914 5.813 -6.323) 8.638 ======================= Grid point 457 (210/242) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.981 -3.447 -5.388) 6.471 0.979 ( -4.431 -4.982 -0.051) 6.668 1.055 ( 0.626 -7.352 -1.756) 7.585 1.114 ( -0.314 -4.545 1.027) 4.670 1.306 ( 0.517 -3.053 4.678) 5.610 1.398 ( -2.637 -0.495 -0.397) 2.713 1.550 ( -3.594 -2.797 3.916) 6.007 1.644 ( -0.944 -1.869 -2.620) 3.354 1.676 ( -1.918 1.054 -2.286) 3.165 1.789 ( 1.408 0.070 0.161) 1.418 1.855 ( 0.245 -0.132 -2.934) 2.947 2.008 ( 3.680 -5.249 -1.159) 6.514 2.156 ( 0.736 -6.241 1.493) 6.459 2.261 ( 2.407 0.269 2.088) 3.197 2.303 ( 1.034 -2.247 1.407) 2.845 2.497 ( 0.042 -2.739 -0.669) 2.820 2.564 ( -1.085 -1.718 0.822) 2.192 2.707 ( 1.244 -0.786 -0.422) 1.531 2.877 ( -0.891 0.403 -0.695) 1.200 3.119 ( -0.039 -7.762 0.739) 7.797 3.486 ( -0.136 -0.658 -0.020) 0.672 4.485 ( 3.270 24.975 -0.530) 25.194 4.948 ( -3.923 -16.883 1.912) 17.438 5.861 ( -1.627 14.457 -1.125) 14.592 9.080 ( 0.110 5.248 0.499) 5.273 9.640 ( -0.712 1.019 0.910) 1.540 9.856 ( 0.398 -3.397 1.117) 3.598 9.956 ( 2.360 -3.243 5.571) 6.864 10.248 ( -4.494 -1.926 -4.268) 6.490 10.490 ( -3.147 3.283 -6.137) 7.638 ======================= Grid point 458 (211/242) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -1.208 -3.398 -1.551) 3.926 1.002 ( -5.450 -0.191 0.867) 5.522 1.135 ( 0.584 -0.321 2.363) 2.455 1.225 ( -4.339 -7.900 -6.186) 10.932 1.341 ( -5.107 1.129 -0.364) 5.243 1.404 ( 1.257 -4.786 4.152) 6.460 1.583 ( -3.678 -1.934 1.362) 4.373 1.636 ( 0.434 0.182 -0.572) 0.741 1.675 ( 1.276 1.464 -1.038) 2.202 1.797 ( 3.548 0.652 -0.085) 3.608 1.854 ( 1.324 -0.004 -2.449) 2.784 2.140 ( 3.578 -6.166 -0.463) 7.143 2.246 ( 4.199 3.471 1.887) 5.765 2.300 ( -0.628 -7.349 2.051) 7.656 2.347 ( 0.497 -1.829 0.394) 1.936 2.520 ( -0.367 -0.025 -0.752) 0.837 2.559 ( -2.793 -0.027 -1.112) 3.007 2.717 ( 0.852 1.154 0.796) 1.641 2.889 ( -0.064 -1.534 -0.757) 1.712 3.281 ( 0.216 -8.103 0.603) 8.128 3.519 ( -0.400 -2.898 -0.095) 2.927 3.961 ( 1.822 28.186 -0.110) 28.246 5.199 ( -3.828 -10.908 0.506) 11.571 5.656 ( -1.017 6.616 -1.026) 6.772 8.971 ( -0.253 5.685 0.396) 5.704 9.553 ( 0.479 5.976 0.770) 6.044 9.920 ( 1.146 -1.318 0.670) 1.871 10.069 ( 0.550 -5.855 5.751) 8.225 10.255 ( -3.069 -1.797 -3.706) 5.137 10.426 ( -3.239 0.104 -6.154) 6.956 ======================= Grid point 459 (212/242) ======================= q-point: ( 0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.322 -0.164 1.072) 1.131 0.972 ( -5.299 -1.737 1.412) 5.752 1.107 ( -0.692 2.126 -1.417) 2.647 1.282 ( -0.867 -1.329 -1.177) 1.976 1.360 ( -3.096 -3.491 -0.962) 4.765 1.500 ( 0.240 -3.255 1.989) 3.822 1.600 ( -1.646 -0.041 0.088) 1.649 1.621 ( 0.798 1.151 -1.479) 2.038 1.644 ( -0.519 -0.417 -0.307) 0.733 1.788 ( 2.169 1.861 0.506) 2.903 1.859 ( 0.557 -0.231 -1.845) 1.941 2.180 ( 4.489 5.902 2.486) 7.821 2.257 ( 1.744 -3.984 0.048) 4.349 2.378 ( 0.644 -0.987 0.317) 1.220 2.432 ( -0.329 -5.330 0.788) 5.398 2.498 ( -1.371 0.926 -0.817) 1.845 2.553 ( -1.254 -1.014 -1.454) 2.171 2.683 ( -0.199 2.342 0.672) 2.445 2.909 ( 0.324 -0.516 -0.228) 0.651 3.413 ( 0.193 -4.927 0.312) 4.941 3.513 ( 0.564 17.017 -0.020) 17.026 3.578 ( -0.254 -2.846 -0.021) 2.858 5.340 ( -2.110 -5.596 -0.057) 5.981 5.567 ( -0.626 2.302 -0.608) 2.462 8.878 ( -0.274 3.495 0.192) 3.512 9.457 ( 0.282 3.881 0.480) 3.921 9.930 ( 0.722 0.370 0.116) 0.819 10.189 ( -0.022 -4.323 5.973) 7.374 10.259 ( -1.306 -0.734 -3.388) 3.705 10.412 ( -1.693 -1.319 -4.651) 5.123 ======================= Grid point 460 (213/242) ======================= q-point: (-0.42 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.398 -0.313 0.201) 0.544 1.046 ( -0.168 -5.465 3.698) 6.601 1.071 ( 1.924 1.413 -2.357) 3.355 1.291 ( -0.915 -0.240 0.301) 0.993 1.388 ( 0.157 -1.138 -0.543) 1.270 1.533 ( 0.378 -0.077 0.049) 0.389 1.581 ( -0.113 -0.911 0.496) 1.044 1.631 ( -0.553 -0.020 -0.837) 1.003 1.665 ( -0.404 -1.268 -0.553) 1.441 1.760 ( 0.287 1.778 0.028) 1.802 1.857 ( -3.410 -1.452 -1.955) 4.190 2.100 ( 4.183 4.964 2.647) 7.011 2.291 ( -1.028 1.190 0.453) 1.637 2.379 ( 0.105 0.596 -2.305) 2.383 2.466 ( -1.017 0.852 0.465) 1.406 2.511 ( -0.233 -1.720 0.724) 1.881 2.579 ( 0.678 -1.479 -0.243) 1.645 2.651 ( -0.072 0.165 0.075) 0.195 2.914 ( 0.197 0.113 0.053) 0.233 3.348 ( 0.073 0.129 0.042) 0.154 3.461 ( 0.031 0.196 0.018) 0.200 3.609 ( 0.026 -0.154 -0.005) 0.156 5.399 ( -0.017 -1.245 0.205) 1.262 5.548 ( -0.074 -0.502 -0.240) 0.561 8.844 ( -0.020 -0.128 -0.003) 0.130 9.417 ( 0.004 0.289 0.008) 0.289 9.924 ( -0.105 0.419 0.047) 0.435 10.217 ( -0.227 1.958 -2.691) 3.336 10.285 ( 0.370 -2.100 3.439) 4.046 10.434 ( -0.028 -2.074 -0.802) 2.224 ======================= Grid point 461 (214/242) ======================= q-point: (-0.33 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.713 -0.512 -0.346) 0.944 1.054 ( 1.505 1.045 -1.163) 2.171 1.159 ( 4.607 -2.778 0.852) 5.447 1.297 ( -2.099 -1.534 2.086) 3.333 1.411 ( 2.438 -0.223 -1.014) 2.650 1.507 ( 1.638 4.124 0.161) 4.440 1.616 ( 0.810 -0.472 -0.792) 1.227 1.625 ( 0.339 -0.976 0.600) 1.195 1.679 ( 0.946 -1.410 1.503) 2.267 1.733 ( -1.484 0.036 -0.699) 1.641 1.868 ( -3.359 -0.823 0.874) 3.567 2.060 ( -0.782 0.238 -1.137) 1.400 2.209 ( -3.584 5.273 -0.147) 6.377 2.358 ( 1.146 1.325 -2.346) 2.928 2.412 ( -1.721 4.115 0.420) 4.480 2.534 ( 0.813 -0.649 0.550) 1.177 2.606 ( 1.322 -0.620 1.937) 2.425 2.675 ( -0.028 -1.717 -1.175) 2.081 2.909 ( 0.035 0.462 0.220) 0.513 3.407 ( -0.136 5.095 -0.130) 5.099 3.505 ( -0.131 -16.125 0.035) 16.126 3.584 ( 0.207 2.582 0.019) 2.590 5.383 ( 1.420 3.702 0.286) 3.975 5.583 ( 0.377 -3.096 0.140) 3.122 8.881 ( 0.174 -3.567 -0.146) 3.575 9.447 ( -0.200 -3.406 -0.332) 3.428 9.914 ( -0.603 0.425 0.051) 0.740 10.140 ( -0.052 4.864 -3.281) 5.867 10.324 ( 1.255 -0.702 2.510) 2.893 10.479 ( 1.093 -1.873 2.115) 3.030 ======================= Grid point 462 (215/242) ======================= q-point: (-0.25 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.772 2.327 0.454) 2.493 1.021 ( -1.367 2.524 -0.660) 2.945 1.174 ( 5.631 3.607 -1.346) 6.821 1.291 ( -4.003 2.145 -0.768) 4.606 1.378 ( 1.765 6.485 2.911) 7.324 1.449 ( 3.489 1.588 -1.498) 4.116 1.604 ( 0.614 1.747 -1.937) 2.680 1.663 ( 0.269 -2.077 2.455) 3.227 1.726 ( 1.744 -1.657 1.260) 2.716 1.763 ( 2.829 -2.824 1.119) 4.151 1.854 ( -1.751 0.657 3.515) 3.982 2.037 ( -4.469 2.073 -3.927) 6.300 2.105 ( -4.213 1.051 -1.097) 4.479 2.284 ( 0.107 6.624 -1.896) 6.890 2.347 ( -0.386 1.641 0.873) 1.898 2.545 ( 0.867 0.467 0.346) 1.044 2.614 ( 1.014 1.107 1.120) 1.873 2.689 ( -0.615 -0.226 -0.976) 1.175 2.898 ( 0.131 0.696 0.344) 0.788 3.274 ( -0.003 8.072 -0.221) 8.075 3.527 ( 0.203 2.907 0.056) 2.915 3.933 ( -0.695 -26.670 0.090) 26.679 5.260 ( 1.696 10.373 -0.158) 10.512 5.681 ( 0.465 -7.159 0.367) 7.183 8.972 ( 0.109 -5.410 -0.200) 5.414 9.539 ( -0.212 -6.009 -0.344) 6.022 9.895 ( -0.596 1.513 -0.131) 1.631 10.020 ( -0.215 6.647 -2.279) 7.030 10.340 ( 1.673 0.249 1.569) 2.307 10.525 ( 1.429 -1.638 2.478) 3.296 ======================= Grid point 463 (216/242) ======================= q-point: (-0.17 0.08 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 0.633 3.080 2.877) 4.262 0.944 ( -2.075 3.821 -2.395) 4.964 1.066 ( 2.057 9.106 -0.862) 9.375 1.226 ( -1.818 1.401 -0.921) 2.473 1.253 ( 4.250 8.670 3.199) 10.172 1.368 ( -2.726 6.966 -2.060) 7.758 1.567 ( 0.783 2.090 -0.831) 2.381 1.661 ( -0.918 2.072 0.871) 2.428 1.786 ( 5.035 -1.686 0.283) 5.317 1.834 ( -2.590 -2.537 -0.024) 3.625 1.866 ( 1.949 -0.545 2.490) 3.209 1.967 ( -0.024 1.538 1.209) 1.956 2.093 ( -1.595 -0.838 -1.574) 2.392 2.150 ( -2.677 4.683 -2.413) 5.909 2.303 ( 0.008 3.463 0.396) 3.486 2.503 ( 0.125 4.870 0.382) 4.887 2.572 ( 0.206 3.565 -0.397) 3.593 2.691 ( -0.278 -1.141 0.023) 1.175 2.897 ( 0.279 -0.671 0.207) 0.756 3.116 ( 0.036 7.684 -0.119) 7.685 3.488 ( 0.044 1.133 -0.017) 1.134 4.444 ( -0.730 -24.824 0.117) 24.835 4.989 ( 0.856 18.634 -0.437) 18.659 5.891 ( 0.397 -15.239 0.216) 15.245 9.075 ( -0.042 -4.894 -0.134) 4.896 9.651 ( 0.388 -4.186 -0.076) 4.205 9.842 ( -0.135 3.097 -0.253) 3.110 9.879 ( -0.809 6.960 -1.368) 7.139 10.342 ( 1.219 0.670 0.841) 1.626 10.579 ( 0.845 -3.016 1.547) 3.493 ======================= Grid point 464 (217/242) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -0.000 4.051 -0.000) 4.051 0.856 ( 0.000 3.772 0.000) 3.772 0.886 ( -0.000 8.948 0.000) 8.948 1.099 ( -0.000 8.988 -0.000) 8.988 1.197 ( 0.000 7.562 0.000) 7.562 1.224 ( 0.000 -1.667 -0.000) 1.667 1.520 ( -0.000 3.173 -0.000) 3.173 1.588 ( -0.000 4.806 0.000) 4.806 1.820 ( 0.000 1.345 0.000) 1.345 1.838 ( -0.000 0.250 0.000) 0.250 1.888 ( -0.000 -2.309 0.000) 2.309 1.960 ( 0.000 0.216 0.000) 0.216 2.036 ( 0.000 3.131 0.000) 3.131 2.167 ( 0.000 -3.695 0.000) 3.695 2.208 ( -0.000 6.256 0.000) 6.256 2.359 ( -0.000 9.548 0.000) 9.548 2.497 ( -0.000 3.614 -0.000) 3.614 2.743 ( 0.000 -4.351 0.000) 4.351 2.928 ( 0.000 -2.197 0.000) 2.197 2.997 ( -0.000 4.390 0.000) 4.390 3.481 ( 0.000 -0.288 0.000) 0.288 4.546 ( -0.000 27.181 0.000) 27.181 4.843 ( 0.000 -16.566 0.000) 16.566 6.290 ( -0.000 -25.667 0.000) 25.667 9.145 ( 0.000 -2.195 0.000) 2.195 9.578 ( -0.000 12.111 0.000) 12.111 9.747 ( 0.000 5.689 -0.000) 5.689 9.868 ( 0.000 -5.318 0.000) 5.318 10.334 ( 0.000 0.534 0.000) 0.534 10.660 ( -0.000 -4.774 0.000) 4.774 ======================= Grid point 468 (218/242) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 7.038 -0.000 -7.105) 10.001 0.701 ( 1.452 -0.000 -12.777) 12.859 0.800 ( -0.205 0.000 6.483) 6.487 0.901 ( 5.047 -0.000 6.471) 8.206 1.148 ( 9.271 -0.000 -10.182) 13.770 1.385 ( -1.856 0.000 0.274) 1.876 1.397 ( -1.045 0.000 0.679) 1.246 1.540 ( -5.111 0.000 -2.447) 5.666 1.574 ( -0.340 0.000 4.940) 4.951 1.738 ( -6.353 0.000 3.951) 7.481 1.931 ( -3.475 0.000 1.466) 3.771 1.945 ( -3.977 0.000 2.201) 4.545 2.004 ( 1.325 -0.000 -0.751) 1.523 2.094 ( 2.241 -0.000 2.899) 3.664 2.209 ( 8.076 -0.000 -1.865) 8.289 2.213 ( 1.909 -0.000 0.007) 1.909 2.434 ( -1.729 0.000 1.660) 2.397 2.864 ( -4.892 0.000 -3.753) 6.166 2.940 ( -0.634 0.000 0.862) 1.070 3.046 ( 2.590 -0.000 0.419) 2.623 3.557 ( 1.636 -0.000 -0.865) 1.851 3.595 ( 0.196 -0.000 0.122) 0.231 5.229 ( 6.074 -0.000 -2.665) 6.633 7.029 ( -12.403 0.000 4.263) 13.115 9.054 ( 0.058 -0.000 0.041) 0.071 9.151 ( 0.080 -0.000 -0.014) 0.081 9.691 ( 0.345 -0.000 4.824) 4.836 10.051 ( 1.280 -0.000 4.979) 5.141 10.264 ( -4.829 0.000 -2.333) 5.363 10.772 ( 3.639 -0.000 -7.605) 8.431 ======================= Grid point 469 (219/242) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 4.620 -2.578 -9.849) 11.180 0.746 ( 2.122 -4.528 -10.021) 11.199 0.837 ( 3.090 -1.973 4.815) 6.052 0.989 ( 5.345 -3.720 7.083) 9.622 1.219 ( 7.165 -4.446 -6.023) 10.363 1.309 ( -1.280 3.155 1.790) 3.847 1.425 ( -0.640 -2.907 -0.549) 3.026 1.556 ( -3.952 -1.628 1.715) 4.606 1.628 ( -6.307 -5.508 -1.127) 8.449 1.729 ( -1.352 -1.185 3.184) 3.657 1.877 ( -1.887 2.240 1.137) 3.142 1.916 ( -4.925 1.203 -1.828) 5.390 2.062 ( 0.484 -3.930 0.246) 3.967 2.120 ( 1.535 -0.739 1.657) 2.377 2.253 ( 2.363 -3.133 3.014) 4.948 2.301 ( 5.394 -5.213 -1.992) 7.761 2.438 ( -1.800 -1.120 2.438) 3.231 2.785 ( -2.275 3.852 -3.773) 5.852 2.947 ( -1.293 -1.114 2.171) 2.762 2.981 ( 1.970 4.621 -0.423) 5.041 3.516 ( 1.107 1.390 0.199) 1.788 3.963 ( -1.632 -27.359 1.350) 27.441 5.175 ( 6.331 8.351 -2.060) 10.680 6.708 ( -8.822 23.092 1.406) 24.760 9.165 ( 0.347 -0.803 0.090) 0.879 9.230 ( -2.379 -14.831 1.007) 15.054 9.730 ( -0.025 -2.890 4.189) 5.089 10.045 ( 1.834 2.883 6.601) 7.433 10.215 ( -5.573 0.886 -4.790) 7.402 10.715 ( 2.878 5.689 -7.291) 9.685 ======================= Grid point 470 (220/242) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 4.809 -3.650 -9.105) 10.925 0.812 ( -2.618 -5.886 -7.431) 9.835 0.936 ( 3.311 -4.680 2.367) 6.202 1.094 ( 3.848 -2.336 5.965) 7.473 1.276 ( -1.462 -0.927 3.000) 3.463 1.344 ( 1.348 -4.057 -1.224) 4.447 1.484 ( -2.894 -3.192 3.301) 5.427 1.575 ( -2.322 -3.007 -1.125) 3.962 1.656 ( -4.690 -1.269 -1.946) 5.234 1.783 ( 0.627 -2.355 1.311) 2.767 1.841 ( -0.948 0.953 -1.862) 2.297 1.909 ( -0.454 -4.864 -2.669) 5.567 2.102 ( 1.468 -0.636 1.252) 2.032 2.195 ( -0.489 -5.340 -0.859) 5.431 2.314 ( 2.556 -0.874 4.570) 5.309 2.434 ( 2.878 -4.096 -1.081) 5.121 2.489 ( -1.391 -5.418 2.092) 5.972 2.711 ( -0.360 1.896 -2.394) 3.075 2.909 ( -0.200 3.132 0.464) 3.172 3.000 ( -0.350 -4.474 0.803) 4.559 3.495 ( 0.492 1.235 0.070) 1.331 4.473 ( -3.633 -24.232 2.063) 24.589 4.967 ( 5.147 16.065 -0.251) 16.871 6.210 ( -3.915 22.731 -0.909) 23.083 9.159 ( 0.454 2.248 0.391) 2.326 9.498 ( -2.972 -12.842 1.791) 13.302 9.812 ( 0.871 -3.618 1.365) 3.964 9.999 ( 1.807 4.047 8.442) 9.535 10.171 ( -5.300 -1.356 -6.667) 8.624 10.568 ( -0.469 7.548 -6.953) 10.273 ======================= Grid point 471 (221/242) ======================= q-point: ( 0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 1.744 -2.433 -5.490) 6.253 0.913 ( -5.315 -6.501 -3.446) 9.077 1.042 ( -0.107 -5.551 -1.729) 5.815 1.147 ( 1.636 -0.365 3.192) 3.605 1.314 ( -3.724 -2.234 3.395) 5.512 1.361 ( -1.614 -0.307 -0.484) 1.713 1.523 ( -5.237 -2.394 5.246) 7.790 1.625 ( -0.398 -1.797 -1.953) 2.683 1.679 ( 2.878 -2.222 -0.330) 3.651 1.813 ( 2.135 -0.162 0.201) 2.150 1.843 ( 0.950 -1.390 -3.428) 3.820 2.038 ( 2.933 -6.789 -1.563) 7.559 2.160 ( -0.807 -5.409 1.177) 5.594 2.268 ( -0.554 -2.454 -1.268) 2.817 2.346 ( 3.131 0.087 4.065) 5.132 2.488 ( -1.336 -2.253 -0.461) 2.659 2.560 ( -0.135 0.031 0.505) 0.524 2.718 ( 1.281 -2.255 -0.720) 2.691 2.864 ( -0.774 0.635 -0.598) 1.166 3.123 ( 0.023 -7.898 0.936) 7.953 3.484 ( -0.120 -0.350 -0.081) 0.378 4.522 ( 4.037 25.312 -0.677) 25.641 4.911 ( -4.843 -15.914 2.180) 16.777 5.837 ( -1.712 13.774 -1.356) 13.946 9.084 ( 0.079 5.495 0.498) 5.518 9.639 ( -0.408 -0.276 1.322) 1.411 9.866 ( 0.433 -3.394 1.224) 3.633 10.010 ( 1.770 -2.173 6.828) 7.381 10.176 ( -3.920 -2.994 -5.497) 7.385 10.421 ( -3.416 3.994 -6.831) 8.619 ======================= Grid point 472 (222/242) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -0.873 -3.693 -1.340) 4.024 0.945 ( -5.522 -0.765 1.082) 5.679 1.123 ( -4.021 -0.220 -3.203) 5.146 1.172 ( -0.390 -6.067 -2.255) 6.484 1.296 ( -2.718 -0.268 0.548) 2.786 1.438 ( 1.173 -4.461 3.912) 6.048 1.555 ( -3.221 -2.300 2.474) 4.668 1.630 ( 0.256 0.354 -2.309) 2.350 1.701 ( 2.859 2.379 0.528) 3.756 1.834 ( 3.004 0.531 0.400) 3.077 1.857 ( 1.248 -0.665 -1.766) 2.262 2.172 ( 2.977 -5.531 -0.791) 6.331 2.277 ( 0.853 1.254 0.371) 1.561 2.292 ( -1.758 -7.946 0.179) 8.140 2.370 ( 2.039 -0.333 1.859) 2.779 2.512 ( -0.886 -1.046 -0.851) 1.614 2.528 ( -1.555 1.567 -0.342) 2.234 2.728 ( 0.512 1.836 0.499) 1.970 2.885 ( 0.083 -2.150 -0.684) 2.258 3.286 ( 0.290 -8.059 0.589) 8.086 3.515 ( -0.347 -2.895 -0.069) 2.916 3.980 ( 1.850 29.159 -0.056) 29.217 5.161 ( -3.605 -11.420 0.513) 11.987 5.640 ( -0.906 6.295 -1.021) 6.441 8.970 ( -0.235 5.841 0.341) 5.855 9.561 ( 0.440 6.045 0.727) 6.105 9.935 ( 0.956 -1.299 0.776) 1.790 10.108 ( 0.694 -5.194 6.968) 8.718 10.206 ( -2.301 -2.825 -3.803) 5.266 10.357 ( -3.353 -0.856 -7.019) 7.825 ======================= Grid point 473 (223/242) ======================= q-point: ( 0.58 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 0.125 1.131 1.409) 1.811 0.937 ( -2.212 -5.444 2.576) 6.416 1.081 ( -2.300 0.445 -2.964) 3.778 1.270 ( -0.489 -2.746 -0.997) 2.962 1.319 ( -2.960 -4.006 -1.185) 5.120 1.518 ( 0.612 -2.116 2.906) 3.646 1.582 ( -0.872 -0.811 -1.274) 1.744 1.623 ( 0.711 -0.394 -1.383) 1.604 1.640 ( -0.556 3.044 0.561) 3.144 1.811 ( 1.600 2.501 0.412) 2.998 1.862 ( 1.044 1.519 -0.813) 2.015 2.226 ( 2.617 3.187 1.017) 4.247 2.278 ( 1.013 -1.987 1.136) 2.503 2.381 ( 0.784 0.034 -1.455) 1.653 2.425 ( -1.377 -6.206 0.240) 6.362 2.484 ( -0.956 1.494 0.044) 1.774 2.540 ( -0.179 -2.037 -0.482) 2.101 2.683 ( -0.287 2.510 0.351) 2.551 2.912 ( 0.353 -0.580 -0.145) 0.694 3.416 ( 0.130 -4.683 0.272) 4.692 3.519 ( 0.567 17.391 -0.003) 17.401 3.575 ( -0.178 -2.980 -0.010) 2.985 5.319 ( -1.628 -6.606 0.050) 6.803 5.558 ( -0.480 1.987 -0.567) 2.122 8.876 ( -0.213 3.465 0.139) 3.475 9.462 ( 0.208 4.108 0.362) 4.129 9.938 ( 0.484 0.844 0.147) 0.984 10.214 ( -0.589 -2.288 3.282) 4.043 10.239 ( -0.141 -2.928 0.398) 2.958 10.370 ( -1.432 -3.180 -5.270) 6.320 ======================= Grid point 474 (224/242) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 0.479 -0.446 0.236) 0.695 1.050 ( -1.170 -3.084 1.460) 3.607 1.097 ( 3.208 -4.074 0.059) 5.186 1.283 ( -0.677 0.035 0.365) 0.770 1.382 ( -0.601 -3.273 -0.903) 3.448 1.541 ( 0.819 0.289 0.442) 0.975 1.582 ( -0.059 -1.626 0.408) 1.677 1.615 ( -1.218 -1.119 -1.266) 2.083 1.657 ( -0.398 -1.615 -0.439) 1.720 1.767 ( 0.992 2.981 -0.035) 3.142 1.813 ( -2.871 1.411 -1.213) 3.421 2.163 ( 4.518 5.474 2.753) 7.613 2.271 ( -2.823 2.747 -0.689) 3.999 2.376 ( 1.186 0.493 -1.573) 2.031 2.453 ( -1.496 1.315 0.257) 2.009 2.511 ( -0.305 -2.809 0.489) 2.868 2.587 ( 0.678 -2.232 -0.089) 2.334 2.650 ( -0.065 0.226 0.076) 0.247 2.916 ( 0.191 0.183 0.050) 0.270 3.349 ( 0.074 0.226 0.042) 0.242 3.462 ( 0.031 0.340 0.018) 0.342 3.609 ( 0.026 -0.266 -0.005) 0.267 5.400 ( -0.017 -2.178 0.210) 2.189 5.546 ( -0.074 -0.850 -0.245) 0.888 8.844 ( -0.020 -0.222 -0.003) 0.222 9.417 ( 0.004 0.500 0.008) 0.501 9.923 ( -0.105 0.719 0.046) 0.728 10.203 ( -0.133 2.212 -1.770) 2.836 10.305 ( 0.287 -2.273 2.652) 3.505 10.429 ( -0.038 -3.769 -0.935) 3.883 ======================= Grid point 475 (225/242) ======================= q-point: (-0.25 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.248 -0.429 -0.132) 0.513 1.058 ( 0.219 1.106 -0.416) 1.202 1.210 ( 3.619 -3.351 -0.063) 4.932 1.277 ( -2.592 -0.089 1.072) 2.806 1.428 ( 1.007 -0.805 -0.328) 1.331 1.526 ( 1.146 2.689 0.357) 2.945 1.619 ( 0.215 -0.170 -0.225) 0.354 1.636 ( 1.080 -1.384 0.238) 1.772 1.682 ( -1.195 -2.022 0.445) 2.390 1.742 ( 3.688 -1.312 0.836) 4.003 1.807 ( -6.226 -3.125 -1.706) 7.172 2.079 ( 2.495 5.712 1.158) 6.340 2.166 ( -3.158 5.070 -1.016) 6.059 2.364 ( 1.260 1.033 -1.112) 1.972 2.396 ( -1.404 4.216 0.504) 4.472 2.541 ( 0.252 -0.871 0.162) 0.921 2.623 ( 0.505 -0.982 0.963) 1.465 2.670 ( -0.034 -1.392 -0.682) 1.551 2.910 ( 0.039 0.475 0.086) 0.484 3.405 ( -0.046 5.074 -0.038) 5.074 3.505 ( -0.025 -15.879 0.015) 15.879 3.585 ( 0.078 2.517 0.007) 2.518 5.395 ( 0.513 3.257 0.134) 3.300 5.586 ( 0.126 -3.340 0.016) 3.342 8.882 ( 0.061 -3.588 -0.054) 3.589 9.444 ( -0.072 -3.282 -0.120) 3.285 9.910 ( -0.227 0.590 0.033) 0.633 10.128 ( -0.023 4.940 -1.148) 5.072 10.342 ( 0.481 -0.997 0.921) 1.440 10.494 ( 0.389 -2.692 0.703) 2.809 ======================= Grid point 476 (226/242) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 1.853 0.000) 1.853 1.011 ( 0.000 3.479 0.000) 3.479 1.221 ( -0.000 4.821 0.000) 4.821 1.246 ( 0.000 1.522 0.000) 1.522 1.397 ( -0.000 4.333 0.000) 4.333 1.464 ( -0.000 3.801 0.000) 3.801 1.603 ( 0.000 1.547 0.000) 1.547 1.666 ( 0.000 -0.991 0.000) 0.991 1.740 ( 0.000 -4.184 0.000) 4.184 1.801 ( 0.000 -0.852 0.000) 0.852 1.847 ( 0.000 -2.969 0.000) 2.969 1.994 ( 0.000 2.659 0.000) 2.659 2.078 ( -0.000 2.420 0.000) 2.420 2.279 ( -0.000 7.051 0.000) 7.051 2.347 ( 0.000 1.374 0.000) 1.374 2.551 ( 0.000 0.375 0.000) 0.375 2.623 ( -0.000 1.447 0.000) 1.447 2.683 ( 0.000 -0.180 0.000) 0.180 2.900 ( 0.000 0.593 0.000) 0.593 3.274 ( -0.000 8.056 0.000) 8.056 3.528 ( -0.000 2.909 0.000) 2.909 3.930 ( -0.000 -26.447 0.000) 26.447 5.268 ( -0.000 10.323 0.000) 10.323 5.684 ( 0.000 -7.243 0.000) 7.243 8.972 ( -0.000 -5.366 0.000) 5.366 9.537 ( -0.000 -6.029 0.000) 6.029 9.891 ( 0.000 1.553 0.000) 1.553 10.013 ( 0.000 6.751 0.000) 6.751 10.354 ( 0.000 0.040 0.000) 0.040 10.539 ( 0.000 -1.881 0.000) 1.881 ======================= Grid point 482 (227/242) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 2.847 -0.000 -10.609) 10.985 0.699 ( 9.361 -0.000 -5.941) 11.087 0.861 ( 5.961 -0.000 4.136) 7.255 0.990 ( 5.455 -0.000 5.756) 7.930 1.194 ( 5.982 -0.000 -6.649) 8.944 1.367 ( 1.084 -0.000 -3.084) 3.269 1.388 ( -1.573 0.000 1.263) 2.017 1.464 ( -6.165 0.000 -3.078) 6.890 1.556 ( -6.350 0.000 4.713) 7.908 1.726 ( -1.497 0.000 3.610) 3.909 1.896 ( -4.029 0.000 1.231) 4.213 1.917 ( -1.933 0.000 1.021) 2.186 2.014 ( 1.324 -0.000 -0.852) 1.574 2.104 ( -3.489 0.000 1.745) 3.901 2.234 ( 1.853 -0.000 0.153) 1.860 2.269 ( 4.170 -0.000 -1.036) 4.297 2.435 ( 0.010 -0.000 3.692) 3.692 2.801 ( -2.897 0.000 -3.790) 4.770 2.935 ( -1.403 0.000 1.327) 1.931 3.085 ( 3.985 -0.000 0.768) 4.058 3.570 ( 1.627 -0.000 -1.020) 1.921 3.598 ( 0.226 -0.000 0.140) 0.266 5.284 ( 6.344 -0.000 -2.549) 6.837 6.902 ( -13.589 0.000 2.172) 13.761 9.055 ( 0.068 -0.000 0.048) 0.083 9.152 ( 0.091 -0.000 -0.017) 0.093 9.708 ( -1.621 0.000 4.708) 4.979 10.089 ( 1.076 -0.000 3.930) 4.075 10.193 ( -5.044 0.000 -2.959) 5.848 10.785 ( 5.067 -0.000 -5.997) 7.851 ======================= Grid point 483 (228/242) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 4.169 -2.247 -8.690) 9.897 0.757 ( 7.286 -1.228 -7.344) 10.418 0.915 ( 7.048 -1.288 3.651) 8.041 1.074 ( 4.281 -3.323 5.355) 7.619 1.237 ( -1.002 -3.042 -1.566) 3.565 1.310 ( 1.250 1.491 -1.276) 2.327 1.416 ( -1.071 -2.948 0.730) 3.220 1.513 ( -3.744 -2.460 0.527) 4.511 1.562 ( -4.703 -4.782 -0.201) 6.710 1.726 ( -2.054 -1.249 0.305) 2.424 1.856 ( -3.860 0.930 -0.787) 4.048 1.882 ( 1.312 2.469 0.384) 2.822 2.056 ( -1.502 -4.472 -0.609) 4.756 2.127 ( -1.751 -1.705 1.126) 2.691 2.282 ( 0.800 -3.780 1.892) 4.302 2.337 ( 2.575 -5.511 -1.409) 6.244 2.446 ( 0.780 0.153 3.805) 3.887 2.751 ( -0.873 2.595 -2.835) 3.941 2.941 ( -1.695 -1.376 1.942) 2.922 3.006 ( 2.728 6.212 -0.176) 6.787 3.528 ( 0.873 1.570 0.050) 1.797 3.953 ( -1.300 -26.206 1.259) 26.269 5.231 ( 5.682 8.231 -1.590) 10.128 6.614 ( -8.691 20.037 -0.090) 21.841 9.169 ( 0.335 -1.056 0.083) 1.111 9.212 ( -1.841 -13.720 0.904) 13.873 9.742 ( -1.499 -3.344 3.872) 5.332 10.093 ( 1.304 1.193 4.397) 4.739 10.130 ( -4.901 2.468 -4.462) 7.073 10.718 ( 3.476 7.638 -5.468) 10.016 ======================= Grid point 484 (229/242) ======================= q-point: ( 0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 2.165 -5.604 -7.303) 9.457 0.780 ( 4.114 -0.271 -6.988) 8.114 0.990 ( 3.995 -1.857 2.831) 5.237 1.146 ( 0.627 -1.354 3.417) 3.729 1.267 ( -1.884 -1.821 2.174) 3.404 1.328 ( -2.609 -1.804 -1.339) 3.443 1.465 ( -5.135 -2.187 6.731) 8.744 1.556 ( 0.233 -4.297 -2.882) 5.179 1.620 ( -1.035 -3.250 -0.000) 3.411 1.780 ( -0.476 -4.530 -1.787) 4.892 1.848 ( 2.233 2.173 -0.167) 3.120 1.893 ( 0.441 -6.669 -2.780) 7.239 2.114 ( -0.246 -1.289 1.143) 1.740 2.177 ( -2.004 -5.022 -0.992) 5.497 2.356 ( 1.371 -2.374 2.823) 3.935 2.453 ( 1.192 -0.322 0.928) 1.545 2.491 ( 0.398 -7.635 0.783) 7.686 2.697 ( -0.174 1.484 -1.972) 2.474 2.913 ( 0.339 4.064 0.619) 4.125 2.999 ( -0.468 -4.831 0.697) 4.903 3.499 ( 0.355 1.564 -0.061) 1.605 4.448 ( -2.659 -23.946 1.594) 24.146 5.015 ( 3.769 16.994 0.094) 17.407 6.163 ( -3.523 21.046 -1.259) 21.376 9.165 ( 0.363 2.280 0.335) 2.333 9.480 ( -2.063 -13.450 1.738) 13.717 9.828 ( 0.649 -3.918 2.179) 4.530 10.032 ( -3.625 3.016 3.054) 5.618 10.103 ( -0.072 -0.987 -3.164) 3.315 10.533 ( -0.037 9.938 -5.844) 11.529 ======================= Grid point 485 (230/242) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 1.771 -1.204 -4.447) 4.936 0.845 ( -3.394 -5.654 -3.958) 7.691 1.039 ( 0.254 -2.201 0.576) 2.289 1.151 ( -3.029 0.502 0.312) 3.087 1.286 ( -1.404 -0.093 0.618) 1.537 1.364 ( 0.357 -4.157 1.779) 4.536 1.498 ( -4.324 -2.476 5.797) 7.644 1.613 ( -0.079 -1.958 -1.919) 2.743 1.716 ( 3.378 -4.070 0.361) 5.302 1.822 ( 0.438 0.213 -1.059) 1.165 1.853 ( 2.544 -1.737 -1.273) 3.332 2.050 ( 0.843 -8.630 -1.665) 8.829 2.160 ( 0.316 -3.968 0.863) 4.073 2.249 ( -1.791 -3.291 -0.991) 3.875 2.395 ( 2.496 0.274 2.862) 3.808 2.467 ( -1.902 -1.586 -0.299) 2.494 2.564 ( 0.420 1.065 0.180) 1.159 2.726 ( 0.897 -3.636 -0.744) 3.819 2.855 ( -0.484 1.184 -0.354) 1.327 3.128 ( 0.051 -8.083 0.797) 8.123 3.483 ( -0.080 -0.114 -0.100) 0.171 4.562 ( 3.945 26.463 -0.701) 26.765 4.868 ( -4.642 -15.989 1.868) 16.754 5.814 ( -1.294 13.105 -1.137) 13.218 9.086 ( 0.041 5.702 0.365) 5.714 9.643 ( -0.150 -1.090 1.280) 1.688 9.877 ( 0.471 -2.984 1.066) 3.204 10.049 ( -1.393 -4.304 5.008) 6.749 10.126 ( 0.186 -2.254 -3.319) 4.017 10.352 ( -3.124 5.290 -6.281) 8.786 ======================= Grid point 486 (231/242) ======================= q-point: ( 0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.403 -3.983 0.077) 4.004 0.900 ( -3.086 -3.010 -0.100) 4.312 1.061 ( -3.253 0.347 -3.161) 4.549 1.159 ( -0.947 -4.481 -0.961) 4.679 1.287 ( -0.202 -0.304 0.780) 0.861 1.466 ( 1.087 -4.548 2.325) 5.222 1.539 ( -2.090 -2.269 2.440) 3.933 1.621 ( 0.212 0.312 -2.111) 2.144 1.730 ( 1.830 3.647 0.395) 4.100 1.862 ( 1.561 0.391 0.555) 1.703 1.864 ( 1.170 -1.426 -0.966) 2.083 2.196 ( 1.792 -5.331 -0.361) 5.635 2.270 ( -0.416 -4.881 -1.359) 5.083 2.282 ( -1.146 -3.306 1.067) 3.658 2.392 ( 0.666 0.895 0.539) 1.239 2.496 ( -0.887 -2.227 0.015) 2.397 2.523 ( 0.090 2.537 -0.142) 2.543 2.733 ( 0.178 2.371 0.230) 2.389 2.884 ( 0.115 -2.647 -0.404) 2.680 3.292 ( 0.210 -7.998 0.363) 8.009 3.511 ( -0.202 -2.893 -0.033) 2.900 3.997 ( 1.205 29.946 -0.014) 29.971 5.130 ( -2.228 -11.924 0.322) 12.134 5.628 ( -0.529 6.055 -0.642) 6.112 8.969 ( -0.142 5.954 0.196) 5.959 9.568 ( 0.263 6.145 0.451) 6.167 9.947 ( 0.533 -1.336 0.543) 1.538 10.150 ( -0.354 -4.729 6.683) 8.194 10.176 ( 0.477 -3.326 -1.981) 3.901 10.287 ( -2.970 -1.786 -7.069) 7.873 ======================= Grid point 487 (232/242) ======================= q-point: ( 0.67 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -0.797 -0.935 0.445) 1.307 0.962 ( 2.115 -4.770 3.688) 6.389 1.032 ( -2.926 -2.032 -3.735) 5.162 1.258 ( -0.581 -4.894 -0.915) 5.013 1.296 ( -0.709 -1.354 0.045) 1.529 1.538 ( 0.341 -1.621 2.201) 2.755 1.569 ( -0.166 -1.437 -1.434) 2.037 1.622 ( 0.185 -1.317 -0.715) 1.510 1.637 ( -0.290 5.510 0.338) 5.528 1.825 ( 0.658 2.722 0.236) 2.811 1.868 ( 0.458 2.618 -0.261) 2.671 2.254 ( 1.912 0.619 0.680) 2.122 2.280 ( -1.077 -0.047 0.023) 1.079 2.385 ( 0.803 0.176 -0.632) 1.037 2.412 ( -0.747 -6.715 -0.099) 6.757 2.476 ( -0.551 2.047 0.068) 2.121 2.541 ( 0.175 -2.513 0.051) 2.520 2.682 ( -0.143 2.579 0.101) 2.585 2.915 ( 0.151 -0.622 -0.049) 0.642 3.418 ( 0.044 -4.492 0.108) 4.493 3.523 ( 0.243 17.599 0.001) 17.600 3.574 ( -0.064 -3.060 -0.002) 3.061 5.307 ( -0.616 -7.230 0.036) 7.256 5.552 ( -0.179 1.821 -0.232) 1.844 8.875 ( -0.080 3.449 0.050) 3.450 9.465 ( 0.076 4.241 0.135) 4.243 9.942 ( 0.166 1.152 0.067) 1.165 10.209 ( -0.374 -1.202 -0.465) 1.342 10.258 ( 0.318 -3.313 3.523) 4.846 10.334 ( -0.723 -5.084 -3.657) 6.304 ======================= Grid point 488 (233/242) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 0.000 -0.451 0.000) 0.451 1.046 ( 0.000 -2.362 0.000) 2.362 1.118 ( 0.000 -5.980 0.000) 5.980 1.280 ( -0.000 0.297 0.000) 0.297 1.374 ( -0.000 -4.613 0.000) 4.613 1.549 ( -0.000 0.850 0.000) 0.850 1.583 ( 0.000 -1.839 0.000) 1.839 1.602 ( -0.000 -2.126 0.000) 2.126 1.653 ( 0.000 -1.398 0.000) 1.398 1.778 ( -0.000 1.897 0.000) 1.897 1.788 ( 0.000 4.516 0.000) 4.516 2.212 ( 0.000 5.249 0.000) 5.249 2.236 ( -0.000 3.311 -0.000) 3.311 2.381 ( 0.000 0.577 0.000) 0.577 2.444 ( 0.000 1.337 0.000) 1.337 2.510 ( 0.000 -3.155 0.000) 3.155 2.590 ( 0.000 -2.403 -0.000) 2.403 2.650 ( -0.000 0.226 0.000) 0.226 2.918 ( 0.000 0.205 0.000) 0.205 3.349 ( -0.000 0.262 0.000) 0.262 3.462 ( -0.000 0.393 0.000) 0.393 3.609 ( -0.000 -0.306 0.000) 0.306 5.401 ( 0.000 -2.529 0.000) 2.529 5.545 ( 0.000 -0.970 0.000) 0.970 8.844 ( -0.000 -0.256 0.000) 0.256 9.418 ( -0.000 0.578 0.000) 0.578 9.922 ( 0.000 0.826 0.000) 0.826 10.197 ( 0.000 2.230 0.000) 2.230 10.314 ( 0.000 -2.158 -0.000) 2.158 10.426 ( 0.000 -4.490 0.000) 4.490 ======================= Grid point 496 (234/242) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 5.501 -0.000 -7.547) 9.339 0.780 ( 9.998 -0.000 -4.100) 10.806 0.961 ( 9.116 -0.000 2.368) 9.419 1.067 ( 3.908 -0.000 4.333) 5.835 1.187 ( -3.192 0.000 -1.168) 3.399 1.373 ( -4.265 0.000 2.594) 4.991 1.386 ( -3.297 0.000 -3.989) 5.175 1.405 ( 9.699 -0.000 -4.828) 10.834 1.507 ( -7.128 0.000 4.929) 8.667 1.708 ( -3.028 0.000 -0.377) 3.051 1.859 ( -3.673 0.000 0.689) 3.737 1.922 ( 1.867 -0.000 0.242) 1.883 2.023 ( 1.020 -0.000 -0.696) 1.235 2.029 ( -10.893 0.000 0.066) 10.893 2.253 ( 1.392 -0.000 0.200) 1.406 2.295 ( 1.392 -0.000 0.406) 1.450 2.471 ( 2.541 -0.000 3.810) 4.580 2.767 ( -0.578 0.000 -2.337) 2.407 2.922 ( -1.893 0.000 1.080) 2.179 3.134 ( 3.854 -0.000 1.129) 4.016 3.580 ( 1.209 -0.000 -0.950) 1.538 3.601 ( 0.195 -0.000 0.121) 0.229 5.335 ( 4.979 -0.000 -1.836) 5.307 6.771 ( -11.023 0.000 -0.132) 11.024 9.056 ( 0.060 -0.000 0.042) 0.073 9.153 ( 0.078 -0.000 -0.016) 0.080 9.706 ( -2.494 0.000 3.546) 4.335 10.093 ( -0.132 0.000 -5.826) 5.828 10.152 ( -2.630 0.000 4.991) 5.641 10.815 ( 4.343 -0.000 -3.131) 5.354 ======================= Grid point 497 (235/242) ======================= q-point: ( 0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 5.030 -1.287 -5.889) 7.851 0.812 ( 7.955 1.095 -4.859) 9.385 1.016 ( 8.194 0.017 2.752) 8.644 1.122 ( 0.385 -2.023 2.233) 3.037 1.204 ( -3.684 -3.501 1.254) 5.235 1.302 ( -1.322 1.477 -1.562) 2.523 1.409 ( -1.868 -3.034 2.870) 4.575 1.481 ( -4.568 -1.391 1.498) 5.004 1.545 ( 3.277 -5.377 -1.480) 6.469 1.694 ( -2.222 -1.329 -2.560) 3.641 1.820 ( -1.342 -0.233 -1.495) 2.022 1.906 ( 1.092 2.284 1.536) 2.961 2.018 ( -4.468 -5.665 -1.752) 7.424 2.103 ( -2.671 -3.655 0.788) 4.595 2.295 ( 0.480 -3.629 1.114) 3.826 2.350 ( 0.875 -5.281 -0.276) 5.360 2.484 ( 2.410 0.939 2.979) 3.945 2.737 ( 0.012 2.298 -1.470) 2.729 2.931 ( -1.564 -1.848 1.232) 2.717 3.033 ( 2.208 7.561 0.060) 7.877 3.535 ( 0.496 1.683 -0.068) 1.756 3.947 ( -0.783 -25.250 0.884) 25.278 5.277 ( 3.797 8.155 -0.925) 9.043 6.529 ( -6.219 17.469 -0.924) 18.565 9.173 ( 0.240 -1.262 0.056) 1.286 9.199 ( -1.137 -12.979 0.608) 13.043 9.740 ( -1.805 -4.077 2.850) 5.292 10.056 ( -1.962 2.024 -6.689) 7.259 10.132 ( -0.239 1.889 5.424) 5.749 10.731 ( 2.633 9.357 -2.963) 10.162 ======================= Grid point 498 (236/242) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 1.416 -3.271 -4.131) 5.456 0.805 ( 4.975 1.524 -4.703) 7.014 1.043 ( 2.661 0.827 3.477) 4.456 1.134 ( -3.416 -0.043 -0.653) 3.478 1.269 ( 0.364 -3.110 1.024) 3.294 1.295 ( -1.976 -1.660 -0.264) 2.594 1.446 ( -4.451 -1.947 6.536) 8.144 1.543 ( 0.217 -4.859 -3.083) 5.758 1.624 ( 0.863 -4.138 0.599) 4.269 1.767 ( -0.350 -6.640 -1.414) 6.798 1.868 ( 1.683 2.049 -0.875) 2.792 1.897 ( 1.856 -5.927 -1.144) 6.315 2.109 ( -1.116 -4.205 0.147) 4.353 2.147 ( -2.348 -3.784 -0.229) 4.459 2.372 ( 0.142 -3.524 1.061) 3.683 2.474 ( 0.941 1.662 2.002) 2.767 2.499 ( 0.776 -8.179 -0.462) 8.229 2.688 ( -0.080 1.575 -1.089) 1.916 2.920 ( 0.368 4.860 0.455) 4.896 2.997 ( -0.368 -5.314 0.369) 5.340 3.502 ( 0.173 1.745 -0.088) 1.756 4.433 ( -1.385 -23.853 0.869) 23.909 5.047 ( 1.942 17.792 0.149) 17.898 6.126 ( -2.079 19.742 -0.924) 19.873 9.170 ( 0.199 2.307 0.193) 2.324 9.470 ( -1.059 -13.949 1.089) 14.031 9.849 ( 0.811 -5.512 2.847) 6.257 9.973 ( -3.809 2.061 -4.235) 6.057 10.120 ( 1.039 0.424 2.390) 2.641 10.510 ( 0.114 12.164 -3.366) 12.622 ======================= Grid point 499 (237/242) ======================= q-point: ( 0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 1.069 -1.659 -1.635) 2.562 0.805 ( -1.457 -2.845 -1.859) 3.698 1.056 ( 1.970 -0.172 1.607) 2.548 1.103 ( -4.089 -0.261 -1.410) 4.333 1.287 ( 0.244 -0.000 0.334) 0.413 1.376 ( 0.482 -5.319 0.518) 5.365 1.487 ( -1.792 -2.662 2.981) 4.380 1.604 ( -0.045 -2.022 -1.100) 2.303 1.744 ( 1.290 -5.671 0.175) 5.818 1.824 ( 0.541 1.669 -0.439) 1.809 1.869 ( 0.932 -2.203 -0.260) 2.406 2.045 ( -0.285 -8.985 -0.730) 9.019 2.176 ( 1.584 -3.538 0.382) 3.895 2.223 ( -1.950 -4.180 -0.459) 4.635 2.424 ( 0.924 0.362 1.028) 1.429 2.450 ( -0.811 -0.876 -0.116) 1.199 2.568 ( 0.197 1.421 0.029) 1.435 2.730 ( 0.309 -4.511 -0.323) 4.533 2.851 ( -0.157 1.655 -0.109) 1.666 3.132 ( 0.025 -8.222 0.313) 8.228 3.482 ( -0.028 0.008 -0.045) 0.054 4.593 ( 1.891 28.556 -0.355) 28.621 4.836 ( -2.170 -17.485 0.795) 17.637 5.800 ( -0.480 12.688 -0.446) 12.705 9.088 ( 0.012 5.819 0.134) 5.821 9.647 ( -0.027 -1.474 0.551) 1.574 9.886 ( 0.276 -2.228 0.491) 2.298 10.034 ( -1.588 -7.578 0.008) 7.743 10.143 ( 1.540 -1.588 1.391) 2.613 10.299 ( -1.658 7.242 -3.279) 8.121 ======================= Grid point 500 (238/242) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -0.000 -3.887 -0.000) 3.887 0.882 ( -0.000 -4.972 -0.000) 4.972 1.034 ( -0.000 2.151 -0.000) 2.151 1.150 ( -0.000 -4.818 0.000) 4.818 1.289 ( -0.000 -0.153 0.000) 0.153 1.479 ( -0.000 -4.737 0.000) 4.737 1.533 ( -0.000 -2.062 0.000) 2.062 1.616 ( -0.000 0.249 0.000) 0.249 1.741 ( -0.000 4.220 0.000) 4.220 1.869 ( -0.000 -2.941 0.000) 2.941 1.872 ( -0.000 1.566 -0.000) 1.566 2.204 ( -0.000 -6.053 0.000) 6.053 2.271 ( -0.000 -1.368 0.000) 1.368 2.271 ( -0.000 -6.431 0.000) 6.431 2.395 ( -0.000 1.190 -0.000) 1.190 2.493 ( -0.000 -2.505 0.000) 2.505 2.523 ( -0.000 2.668 0.000) 2.668 2.735 ( -0.000 2.572 0.000) 2.572 2.883 ( -0.000 -2.834 0.000) 2.834 3.294 ( -0.000 -7.970 -0.000) 7.970 3.510 ( -0.000 -2.892 -0.000) 2.892 4.004 ( -0.000 30.257 0.000) 30.257 5.119 ( -0.000 -12.142 0.000) 12.142 5.623 ( -0.000 5.967 0.000) 5.967 8.969 ( -0.000 5.995 0.000) 5.995 9.571 ( -0.000 6.193 0.000) 6.193 9.951 ( -0.000 -1.359 -0.000) 1.359 10.152 ( -0.000 -4.553 0.000) 4.553 10.203 ( -0.000 -3.347 0.000) 3.347 10.236 ( -0.000 -2.298 0.000) 2.298 ======================= Grid point 510 (239/242) ======================= q-point: ( 0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 4.767 -0.000 -4.210) 6.360 0.864 ( 7.983 -0.000 -2.224) 8.287 1.060 ( 6.004 -0.000 -0.356) 6.015 1.106 ( -0.075 0.000 2.437) 2.438 1.152 ( -1.156 0.000 2.089) 2.388 1.321 ( -2.923 0.000 -1.088) 3.119 1.367 ( -1.183 0.000 0.436) 1.261 1.446 ( -7.739 0.000 3.615) 8.541 1.508 ( 10.869 -0.000 -1.513) 10.974 1.677 ( 0.189 -0.000 -4.399) 4.403 1.828 ( -2.275 0.000 0.227) 2.287 1.892 ( -13.209 0.000 0.029) 13.209 1.945 ( 1.317 -0.000 0.622) 1.457 2.029 ( 0.548 -0.000 -0.382) 0.668 2.265 ( 0.734 -0.000 0.132) 0.746 2.308 ( 0.552 -0.000 0.613) 0.825 2.514 ( 2.106 -0.000 2.316) 3.130 2.759 ( 0.249 -0.000 -0.887) 0.921 2.907 ( -1.495 0.000 0.474) 1.568 3.173 ( 2.244 -0.000 0.847) 2.398 3.586 ( 0.624 -0.000 -0.590) 0.859 3.603 ( 0.112 -0.000 0.070) 0.132 5.370 ( 2.678 -0.000 -0.931) 2.835 6.675 ( -6.029 0.000 -0.793) 6.081 9.057 ( 0.035 -0.000 0.024) 0.043 9.154 ( 0.045 -0.000 -0.009) 0.046 9.695 ( -1.732 0.000 1.847) 2.532 10.059 ( -0.359 0.000 -4.680) 4.693 10.160 ( -0.877 0.000 3.669) 3.773 10.841 ( 2.352 -0.000 -1.120) 2.605 ======================= Grid point 511 (240/242) ======================= q-point: ( 0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 432 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 2.458 -0.513 -2.221) 3.352 0.864 ( 3.996 2.422 -1.762) 4.994 1.099 ( 2.915 1.333 3.230) 4.550 1.117 ( 0.489 -1.089 -1.964) 2.298 1.175 ( -2.529 -3.486 0.789) 4.379 1.288 ( -0.131 0.836 -0.436) 0.952 1.407 ( -2.126 -2.224 5.013) 5.881 1.434 ( -2.342 -3.704 -2.765) 5.181 1.597 ( 5.036 -2.034 1.467) 5.626 1.653 ( -2.894 -1.164 -3.326) 4.560 1.819 ( 2.111 -2.681 -1.402) 3.689 1.901 ( -3.676 -1.160 1.939) 4.315 1.972 ( -1.082 -4.843 -1.419) 5.162 2.086 ( -0.940 -3.782 0.338) 3.911 2.303 ( 0.271 -3.285 0.439) 3.325 2.355 ( 0.251 -5.125 -0.033) 5.131 2.515 ( 1.096 1.218 1.114) 1.982 2.733 ( 0.101 2.400 -0.413) 2.437 2.922 ( -0.669 -2.271 0.398) 2.400 3.050 ( 0.824 8.314 0.058) 8.355 3.538 ( 0.152 1.731 -0.048) 1.739 3.945 ( -0.256 -24.715 0.318) 24.718 5.302 ( 1.320 8.119 -0.296) 8.231 6.479 ( -2.239 16.048 -0.504) 16.211 9.175 ( 0.087 -1.374 0.019) 1.377 9.193 ( -0.384 -12.611 0.213) 12.619 9.735 ( -0.795 -4.599 1.055) 4.785 10.019 ( -0.558 2.944 -2.532) 3.923 10.148 ( -0.118 1.281 1.838) 2.243 10.742 ( 0.955 10.288 -0.888) 10.370 ======================= Grid point 512 (241/242) ======================= q-point: ( 0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -0.000 -2.106 0.000) 2.106 0.823 ( 0.000 2.367 -0.000) 2.367 1.082 ( -0.000 1.255 -0.000) 1.255 1.093 ( 0.000 1.278 0.000) 1.278 1.273 ( -0.000 -5.626 -0.000) 5.626 1.287 ( -0.000 -0.177 0.000) 0.177 1.438 ( -0.000 -2.152 -0.000) 2.152 1.535 ( -0.000 -5.146 0.000) 5.146 1.632 ( -0.000 -3.874 0.000) 3.874 1.760 ( -0.000 -8.006 -0.000) 8.006 1.875 ( -0.000 2.416 0.000) 2.416 1.907 ( 0.000 -5.287 -0.000) 5.287 2.100 ( -0.000 -7.354 0.000) 7.354 2.134 ( -0.000 -1.856 0.000) 1.856 2.375 ( -0.000 -3.637 0.000) 3.637 2.485 ( -0.000 2.226 0.000) 2.226 2.502 ( 0.000 -8.402 -0.000) 8.402 2.685 ( -0.000 1.677 0.000) 1.677 2.923 ( -0.000 5.201 -0.000) 5.201 2.996 ( -0.000 -5.575 0.000) 5.575 3.503 ( -0.000 1.799 -0.000) 1.799 4.427 ( -0.000 -23.833 0.000) 23.833 5.058 ( -0.000 18.099 0.000) 18.099 6.112 ( -0.000 19.252 0.000) 19.252 9.171 ( -0.000 2.317 0.000) 2.317 9.468 ( -0.000 -14.146 0.000) 14.146 9.865 ( 0.000 -8.439 0.000) 8.439 9.936 ( -0.000 4.656 -0.000) 4.656 10.133 ( -0.000 0.231 0.000) 0.231 10.502 ( -0.000 13.104 0.000) 13.104 ======================= Grid point 525 (242/242) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 1.46e-03 1.46e-03 1.46e-03 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.000 -0.000 -0.000) 0.000 0.908 ( 0.000 -0.000 -0.000) 0.000 1.074 ( 0.000 -0.000 -0.000) 0.000 1.105 ( 0.000 -0.000 -0.000) 0.000 1.178 ( 0.000 -0.000 -0.000) 0.000 1.305 ( 0.000 -0.000 -0.000) 0.000 1.361 ( 0.000 -0.000 -0.000) 0.000 1.401 ( 0.000 -0.000 -0.000) 0.000 1.582 ( 0.000 -0.000 -0.000) 0.000 1.673 ( 0.000 -0.000 -0.000) 0.000 1.795 ( 0.000 -0.000 -0.000) 0.000 1.816 ( 0.000 -0.000 -0.000) 0.000 1.954 ( 0.000 -0.000 -0.000) 0.000 2.031 ( 0.000 -0.000 -0.000) 0.000 2.270 ( 0.000 -0.000 0.000) 0.000 2.312 ( 0.000 -0.000 -0.000) 0.000 2.532 ( 0.000 -0.000 -0.000) 0.000 2.759 ( 0.000 -0.000 0.000) 0.000 2.899 ( 0.000 -0.000 -0.000) 0.000 3.187 ( 0.000 -0.000 0.000) 0.000 3.588 ( 0.000 -0.000 -0.000) 0.000 3.604 ( 0.000 -0.000 -0.000) 0.000 5.382 ( 0.000 -0.000 0.000) 0.000 6.640 ( 0.000 -0.000 -0.000) 0.000 9.057 ( 0.000 -0.000 -0.000) 0.000 9.154 ( 0.000 -0.000 -0.000) 0.000 9.690 ( 0.000 -0.000 -0.000) 0.000 10.045 ( 0.000 -0.000 -0.000) 0.000 10.164 ( 0.000 -0.000 0.000) 0.000 10.851 ( 0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/25920 10.0 32.771 15.749 21.022 -0.000 4.629 -0.000 3/25920 20.0 5.541 3.211 3.720 -0.000 0.734 -0.000 3/25920 30.0 2.649 1.672 1.813 -0.000 0.305 -0.000 3/25920 40.0 1.719 1.143 1.196 -0.000 0.178 -0.000 3/25920 50.0 1.274 0.878 0.897 -0.000 0.123 -0.000 3/25920 60.0 1.014 0.719 0.720 -0.000 0.093 -0.000 3/25920 70.0 0.844 0.612 0.604 -0.000 0.075 -0.000 3/25920 80.0 0.724 0.535 0.521 -0.000 0.063 -0.000 3/25920 90.0 0.636 0.477 0.460 -0.000 0.054 -0.000 3/25920 100.0 0.567 0.432 0.412 -0.000 0.048 -0.000 3/25920 110.0 0.513 0.396 0.374 -0.000 0.044 -0.000 3/25920 120.0 0.469 0.366 0.343 -0.000 0.040 -0.000 3/25920 130.0 0.432 0.341 0.318 -0.000 0.037 -0.000 3/25920 140.0 0.401 0.320 0.296 -0.000 0.035 -0.000 3/25920 150.0 0.374 0.301 0.277 -0.000 0.033 -0.000 3/25920 160.0 0.351 0.285 0.261 -0.000 0.031 -0.000 3/25920 170.0 0.331 0.270 0.246 -0.000 0.029 -0.000 3/25920 180.0 0.313 0.257 0.233 -0.000 0.028 -0.000 3/25920 190.0 0.296 0.245 0.222 -0.000 0.027 -0.000 3/25920 200.0 0.282 0.235 0.212 -0.000 0.026 -0.000 3/25920 210.0 0.269 0.225 0.202 -0.000 0.025 -0.000 3/25920 220.0 0.257 0.216 0.194 -0.000 0.024 -0.000 3/25920 230.0 0.246 0.208 0.186 -0.000 0.023 -0.000 3/25920 240.0 0.236 0.200 0.179 -0.000 0.022 -0.000 3/25920 250.0 0.227 0.193 0.172 -0.000 0.022 -0.000 3/25920 260.0 0.219 0.187 0.166 -0.000 0.021 -0.000 3/25920 270.0 0.211 0.181 0.160 -0.000 0.020 -0.000 3/25920 280.0 0.204 0.175 0.155 -0.000 0.020 -0.000 3/25920 290.0 0.197 0.170 0.150 -0.000 0.019 -0.000 3/25920 300.0 0.191 0.165 0.146 -0.000 0.019 -0.000 3/25920 310.0 0.185 0.160 0.141 -0.000 0.018 -0.000 3/25920 320.0 0.179 0.155 0.137 -0.000 0.018 -0.000 3/25920 330.0 0.174 0.151 0.133 -0.000 0.017 -0.000 3/25920 340.0 0.169 0.147 0.130 -0.000 0.017 -0.000 3/25920 350.0 0.164 0.143 0.126 -0.000 0.016 -0.000 3/25920 360.0 0.160 0.140 0.123 -0.000 0.016 -0.000 3/25920 370.0 0.156 0.136 0.120 -0.000 0.016 -0.000 3/25920 380.0 0.152 0.133 0.117 -0.000 0.015 -0.000 3/25920 390.0 0.148 0.130 0.114 -0.000 0.015 -0.000 3/25920 400.0 0.145 0.127 0.111 -0.000 0.015 -0.000 3/25920 410.0 0.141 0.124 0.109 -0.000 0.014 -0.000 3/25920 420.0 0.138 0.121 0.106 -0.000 0.014 -0.000 3/25920 430.0 0.135 0.119 0.104 -0.000 0.014 -0.000 3/25920 440.0 0.132 0.116 0.102 -0.000 0.013 -0.000 3/25920 450.0 0.129 0.114 0.100 -0.000 0.013 -0.000 3/25920 460.0 0.126 0.112 0.098 -0.000 0.013 -0.000 3/25920 470.0 0.124 0.110 0.096 -0.000 0.013 -0.000 3/25920 480.0 0.121 0.107 0.094 -0.000 0.012 -0.000 3/25920 490.0 0.119 0.105 0.092 -0.000 0.012 -0.000 3/25920 500.0 0.117 0.103 0.090 -0.000 0.012 -0.000 3/25920 510.0 0.114 0.102 0.089 -0.000 0.012 -0.000 3/25920 520.0 0.112 0.100 0.087 -0.000 0.012 -0.000 3/25920 530.0 0.110 0.098 0.086 -0.000 0.011 -0.000 3/25920 540.0 0.108 0.096 0.084 -0.000 0.011 -0.000 3/25920 550.0 0.106 0.095 0.083 -0.000 0.011 -0.000 3/25920 560.0 0.104 0.093 0.081 -0.000 0.011 -0.000 3/25920 570.0 0.103 0.092 0.080 -0.000 0.011 -0.000 3/25920 580.0 0.101 0.090 0.079 -0.000 0.011 -0.000 3/25920 590.0 0.099 0.089 0.077 -0.000 0.010 -0.000 3/25920 600.0 0.098 0.087 0.076 -0.000 0.010 -0.000 3/25920 610.0 0.096 0.086 0.075 -0.000 0.010 -0.000 3/25920 620.0 0.095 0.085 0.074 -0.000 0.010 -0.000 3/25920 630.0 0.093 0.083 0.073 -0.000 0.010 -0.000 3/25920 640.0 0.092 0.082 0.072 -0.000 0.010 -0.000 3/25920 650.0 0.090 0.081 0.071 -0.000 0.009 -0.000 3/25920 660.0 0.089 0.080 0.070 -0.000 0.009 -0.000 3/25920 670.0 0.088 0.079 0.069 -0.000 0.009 -0.000 3/25920 680.0 0.087 0.078 0.068 -0.000 0.009 -0.000 3/25920 690.0 0.085 0.077 0.067 -0.000 0.009 -0.000 3/25920 700.0 0.084 0.075 0.066 -0.000 0.009 -0.000 3/25920 710.0 0.083 0.074 0.065 -0.000 0.009 -0.000 3/25920 720.0 0.082 0.073 0.064 -0.000 0.009 -0.000 3/25920 730.0 0.081 0.073 0.063 -0.000 0.009 -0.000 3/25920 740.0 0.080 0.072 0.062 -0.000 0.008 -0.000 3/25920 750.0 0.079 0.071 0.062 -0.000 0.008 -0.000 3/25920 760.0 0.078 0.070 0.061 -0.000 0.008 -0.000 3/25920 770.0 0.077 0.069 0.060 -0.000 0.008 -0.000 3/25920 780.0 0.076 0.068 0.059 -0.000 0.008 -0.000 3/25920 790.0 0.075 0.067 0.059 -0.000 0.008 -0.000 3/25920 800.0 0.074 0.067 0.058 -0.000 0.008 -0.000 3/25920 810.0 0.073 0.066 0.057 -0.000 0.008 -0.000 3/25920 820.0 0.072 0.065 0.057 -0.000 0.008 -0.000 3/25920 830.0 0.071 0.064 0.056 -0.000 0.008 -0.000 3/25920 840.0 0.070 0.063 0.055 -0.000 0.008 -0.000 3/25920 850.0 0.070 0.063 0.055 -0.000 0.007 -0.000 3/25920 860.0 0.069 0.062 0.054 -0.000 0.007 -0.000 3/25920 870.0 0.068 0.061 0.053 -0.000 0.007 -0.000 3/25920 880.0 0.067 0.061 0.053 -0.000 0.007 -0.000 3/25920 890.0 0.067 0.060 0.052 -0.000 0.007 -0.000 3/25920 900.0 0.066 0.059 0.052 -0.000 0.007 -0.000 3/25920 910.0 0.065 0.059 0.051 -0.000 0.007 -0.000 3/25920 920.0 0.064 0.058 0.051 -0.000 0.007 -0.000 3/25920 930.0 0.064 0.058 0.050 -0.000 0.007 -0.000 3/25920 940.0 0.063 0.057 0.050 -0.000 0.007 -0.000 3/25920 950.0 0.062 0.056 0.049 -0.000 0.007 -0.000 3/25920 960.0 0.062 0.056 0.049 -0.000 0.007 -0.000 3/25920 970.0 0.061 0.055 0.048 -0.000 0.007 -0.000 3/25920 980.0 0.061 0.055 0.048 -0.000 0.006 -0.000 3/25920 990.0 0.060 0.054 0.047 -0.000 0.006 -0.000 3/25920 1000.0 0.059 0.054 0.047 -0.000 0.006 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m12126.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:26:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|