----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:26:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.200860178610386 -4.775228615000000 0.000000000000000 b 4.200860178610386 4.775228615000000 0.000000000000000 c -1.500041942875200 0.000000000000000 7.783080555901040 Atomic positions (fractional): *1 As 0.42137538629715 0.32601734283077 0.52706499559672 74.922 2 As 0.32601734283077 0.42137538629715 0.02706499559671 74.922 *3 As 0.28953819554827 0.71046180445173 0.25000000000000 74.922 4 As 0.71046180445173 0.28953819554827 0.75000000000000 74.922 5 As 0.57862461370285 0.67398265716923 0.47293500440329 74.922 6 As 0.67398265716923 0.57862461370285 0.97293500440328 74.922 *7 Cd 0.59756172332457 0.89079665074166 0.79507200417038 112.411 8 Cd 0.10920334925834 0.40243827667543 0.70492799582962 112.411 9 Cd 0.89079665074166 0.59756172332457 0.29507200417038 112.411 10 Cd 0.40243827667543 0.10920334925834 0.20492799582962 112.411 *11 I 0.87551688529985 0.12448311470015 0.25000000000000 126.904 12 I 0.12448311470015 0.87551688529985 0.75000000000000 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.401720357220771 0.000000000000000 0.000000000000000 b 0.000000000000000 9.550457229999999 0.000000000000000 c -1.500041942875200 0.000000000000000 7.783080555901040 Atomic positions (fractional): *1 As 0.37369636456396 0.95232097826681 0.52706499559672 74.922 > 1 2 As 0.37369636456396 0.04767902173319 0.02706499559671 74.922 > 2 *3 As 0.50000000000000 0.21046180445173 0.25000000000000 74.922 > 3 4 As 0.50000000000000 0.78953819554827 0.75000000000000 74.922 > 4 5 As 0.62630363543604 0.04767902173319 0.47293500440329 74.922 > 5 6 As 0.62630363543604 0.95232097826681 0.97293500440328 74.922 > 6 7 As 0.87369636456396 0.45232097826681 0.52706499559672 74.922 > 1 8 As 0.87369636456396 0.54767902173319 0.02706499559671 74.922 > 2 9 As 0.00000000000000 0.71046180445173 0.25000000000000 74.922 > 3 10 As 0.00000000000000 0.28953819554827 0.75000000000000 74.922 > 4 11 As 0.12630363543604 0.54767902173319 0.47293500440329 74.922 > 5 12 As 0.12630363543604 0.45232097826681 0.97293500440328 74.922 > 6 *13 Cd 0.74417918703311 0.14661746370854 0.79507200417038 112.411 > 7 14 Cd 0.25582081296689 0.14661746370854 0.70492799582962 112.411 > 8 15 Cd 0.74417918703311 0.85338253629146 0.29507200417038 112.411 > 9 16 Cd 0.25582081296689 0.85338253629146 0.20492799582962 112.411 > 10 17 Cd 0.24417918703311 0.64661746370854 0.79507200417038 112.411 > 7 18 Cd 0.75582081296689 0.64661746370854 0.70492799582962 112.411 > 8 19 Cd 0.24417918703311 0.35338253629146 0.29507200417038 112.411 > 9 20 Cd 0.75582081296689 0.35338253629146 0.20492799582962 112.411 > 10 *21 I 0.50000000000000 0.62448311470015 0.25000000000000 126.904 > 11 22 I 0.50000000000000 0.37551688529985 0.75000000000000 126.904 > 12 23 I 0.00000000000000 0.12448311470015 0.25000000000000 126.904 > 11 24 I 0.00000000000000 0.87551688529985 0.75000000000000 126.904 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.803440714441543 0.000000000000000 0.000000000000000 b 0.000000000000000 9.550457229999999 0.000000000000000 c -3.000083885750400 0.000000000000000 15.566161111802080 Atomic positions (fractional): *1 As 0.18684818228198 0.95232097826681 0.26353249779836 74.922 > 1 2 As 0.68684818228198 0.95232097826681 0.26353249779836 74.922 > 1 3 As 0.18684818228198 0.95232097826681 0.76353249779836 74.922 > 1 4 As 0.68684818228198 0.95232097826681 0.76353249779836 74.922 > 1 5 As 0.18684818228198 0.04767902173319 0.01353249779836 74.922 > 2 6 As 0.68684818228198 0.04767902173319 0.01353249779836 74.922 > 2 7 As 0.18684818228198 0.04767902173319 0.51353249779836 74.922 > 2 8 As 0.68684818228198 0.04767902173319 0.51353249779836 74.922 > 2 *9 As 0.25000000000000 0.21046180445173 0.12500000000000 74.922 > 3 10 As 0.75000000000000 0.21046180445173 0.12500000000000 74.922 > 3 11 As 0.25000000000000 0.21046180445173 0.62500000000000 74.922 > 3 12 As 0.75000000000000 0.21046180445173 0.62500000000000 74.922 > 3 13 As 0.25000000000000 0.78953819554827 0.37500000000000 74.922 > 4 14 As 0.75000000000000 0.78953819554827 0.37500000000000 74.922 > 4 15 As 0.25000000000000 0.78953819554827 0.87500000000000 74.922 > 4 16 As 0.75000000000000 0.78953819554827 0.87500000000000 74.922 > 4 17 As 0.31315181771802 0.04767902173319 0.23646750220164 74.922 > 5 18 As 0.81315181771802 0.04767902173319 0.23646750220164 74.922 > 5 19 As 0.31315181771802 0.04767902173319 0.73646750220164 74.922 > 5 20 As 0.81315181771802 0.04767902173319 0.73646750220164 74.922 > 5 21 As 0.31315181771802 0.95232097826681 0.48646750220164 74.922 > 6 22 As 0.81315181771802 0.95232097826681 0.48646750220164 74.922 > 6 23 As 0.31315181771802 0.95232097826681 0.98646750220164 74.922 > 6 24 As 0.81315181771802 0.95232097826681 0.98646750220164 74.922 > 6 25 As 0.43684818228198 0.45232097826681 0.26353249779836 74.922 > 1 26 As 0.93684818228198 0.45232097826681 0.26353249779836 74.922 > 1 27 As 0.43684818228198 0.45232097826681 0.76353249779836 74.922 > 1 28 As 0.93684818228198 0.45232097826681 0.76353249779836 74.922 > 1 29 As 0.43684818228198 0.54767902173319 0.01353249779836 74.922 > 2 30 As 0.93684818228198 0.54767902173319 0.01353249779836 74.922 > 2 31 As 0.43684818228198 0.54767902173319 0.51353249779836 74.922 > 2 32 As 0.93684818228198 0.54767902173319 0.51353249779836 74.922 > 2 33 As 0.00000000000000 0.71046180445173 0.12500000000000 74.922 > 3 34 As 0.50000000000000 0.71046180445173 0.12500000000000 74.922 > 3 35 As 0.00000000000000 0.71046180445173 0.62500000000000 74.922 > 3 36 As 0.50000000000000 0.71046180445173 0.62500000000000 74.922 > 3 37 As 0.00000000000000 0.28953819554827 0.37500000000000 74.922 > 4 38 As 0.50000000000000 0.28953819554827 0.37500000000000 74.922 > 4 39 As 0.00000000000000 0.28953819554827 0.87500000000000 74.922 > 4 40 As 0.50000000000000 0.28953819554827 0.87500000000000 74.922 > 4 41 As 0.06315181771802 0.54767902173319 0.23646750220164 74.922 > 5 42 As 0.56315181771802 0.54767902173319 0.23646750220164 74.922 > 5 43 As 0.06315181771802 0.54767902173319 0.73646750220164 74.922 > 5 44 As 0.56315181771802 0.54767902173319 0.73646750220164 74.922 > 5 45 As 0.06315181771802 0.45232097826681 0.48646750220164 74.922 > 6 46 As 0.56315181771802 0.45232097826681 0.48646750220164 74.922 > 6 47 As 0.06315181771802 0.45232097826681 0.98646750220164 74.922 > 6 48 As 0.56315181771802 0.45232097826681 0.98646750220164 74.922 > 6 *49 Cd 0.37208959351656 0.14661746370854 0.39753600208519 112.411 > 7 50 Cd 0.87208959351656 0.14661746370854 0.39753600208519 112.411 > 7 51 Cd 0.37208959351656 0.14661746370854 0.89753600208519 112.411 > 7 52 Cd 0.87208959351656 0.14661746370854 0.89753600208519 112.411 > 7 53 Cd 0.12791040648344 0.14661746370854 0.35246399791481 112.411 > 8 54 Cd 0.62791040648344 0.14661746370854 0.35246399791481 112.411 > 8 55 Cd 0.12791040648344 0.14661746370854 0.85246399791481 112.411 > 8 56 Cd 0.62791040648344 0.14661746370854 0.85246399791481 112.411 > 8 57 Cd 0.37208959351656 0.85338253629146 0.14753600208519 112.411 > 9 58 Cd 0.87208959351656 0.85338253629146 0.14753600208519 112.411 > 9 59 Cd 0.37208959351656 0.85338253629146 0.64753600208519 112.411 > 9 60 Cd 0.87208959351656 0.85338253629146 0.64753600208519 112.411 > 9 61 Cd 0.12791040648344 0.85338253629146 0.10246399791481 112.411 > 10 62 Cd 0.62791040648344 0.85338253629146 0.10246399791481 112.411 > 10 63 Cd 0.12791040648344 0.85338253629146 0.60246399791481 112.411 > 10 64 Cd 0.62791040648344 0.85338253629146 0.60246399791481 112.411 > 10 65 Cd 0.12208959351656 0.64661746370854 0.39753600208519 112.411 > 7 66 Cd 0.62208959351656 0.64661746370854 0.39753600208519 112.411 > 7 67 Cd 0.12208959351656 0.64661746370854 0.89753600208519 112.411 > 7 68 Cd 0.62208959351656 0.64661746370854 0.89753600208519 112.411 > 7 69 Cd 0.37791040648344 0.64661746370854 0.35246399791481 112.411 > 8 70 Cd 0.87791040648344 0.64661746370854 0.35246399791481 112.411 > 8 71 Cd 0.37791040648344 0.64661746370854 0.85246399791481 112.411 > 8 72 Cd 0.87791040648344 0.64661746370854 0.85246399791481 112.411 > 8 73 Cd 0.12208959351656 0.35338253629146 0.14753600208519 112.411 > 9 74 Cd 0.62208959351656 0.35338253629146 0.14753600208519 112.411 > 9 75 Cd 0.12208959351656 0.35338253629146 0.64753600208519 112.411 > 9 76 Cd 0.62208959351656 0.35338253629146 0.64753600208519 112.411 > 9 77 Cd 0.37791040648344 0.35338253629146 0.10246399791481 112.411 > 10 78 Cd 0.87791040648344 0.35338253629146 0.10246399791481 112.411 > 10 79 Cd 0.37791040648344 0.35338253629146 0.60246399791481 112.411 > 10 80 Cd 0.87791040648344 0.35338253629146 0.60246399791481 112.411 > 10 *81 I 0.25000000000000 0.62448311470015 0.12500000000000 126.904 > 11 82 I 0.75000000000000 0.62448311470015 0.12500000000000 126.904 > 11 83 I 0.25000000000000 0.62448311470015 0.62500000000000 126.904 > 11 84 I 0.75000000000000 0.62448311470015 0.62500000000000 126.904 > 11 85 I 0.25000000000000 0.37551688529985 0.37500000000000 126.904 > 12 86 I 0.75000000000000 0.37551688529985 0.37500000000000 126.904 > 12 87 I 0.25000000000000 0.37551688529985 0.87500000000000 126.904 > 12 88 I 0.75000000000000 0.37551688529985 0.87500000000000 126.904 > 12 89 I 0.00000000000000 0.12448311470015 0.12500000000000 126.904 > 11 90 I 0.50000000000000 0.12448311470015 0.12500000000000 126.904 > 11 91 I 0.00000000000000 0.12448311470015 0.62500000000000 126.904 > 11 92 I 0.50000000000000 0.12448311470015 0.62500000000000 126.904 > 11 93 I 0.00000000000000 0.87551688529985 0.37500000000000 126.904 > 12 94 I 0.50000000000000 0.87551688529985 0.37500000000000 126.904 > 12 95 I 0.00000000000000 0.87551688529985 0.87500000000000 126.904 > 12 96 I 0.50000000000000 0.87551688529985 0.87500000000000 126.904 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6981256 0.0000000 0.4163419 0.0000000 11.8419887 0.0000000 0.4163285 0.0000000 13.0205301 -------------------------- Born effective charges -------------------------- 1 As -0.5666394 0.2102667 -0.1368808 0.0543105 -0.8606761 -0.3687254 -0.2729855 -0.3635119 -1.3233598 2 As -0.5666394 -0.2102667 -0.1368808 -0.0543105 -0.8606761 0.3687254 -0.2729855 0.3635119 -1.3233598 3 As -1.1709188 0.0000000 0.1463610 0.0000000 -0.5389771 0.0000000 0.4494931 0.0000000 -0.5662755 4 As -1.1709188 0.0000000 0.1463610 0.0000000 -0.5389771 0.0000000 0.4494931 0.0000000 -0.5662755 5 As -0.5666394 0.2102667 -0.1368808 0.0543105 -0.8606761 -0.3687254 -0.2729855 -0.3635119 -1.3233598 6 As -0.5666394 -0.2102667 -0.1368808 -0.0543105 -0.8606761 0.3687254 -0.2729855 0.3635119 -1.3233598 7 Cd 2.4994492 0.2306530 0.1621526 0.2931237 2.3805199 0.0977657 0.1344598 0.0627677 2.3180123 8 Cd 2.4994492 -0.2306530 0.1621526 -0.2931237 2.3805199 -0.0977657 0.1344598 -0.0627677 2.3180123 9 Cd 2.4994492 -0.2306530 0.1621526 -0.2931237 2.3805199 -0.0977657 0.1344598 -0.0627677 2.3180123 10 Cd 2.4994492 0.2306530 0.1621526 0.2931237 2.3805199 0.0977657 0.1344598 0.0627677 2.3180123 11 I -2.6947009 0.0000000 -0.1969046 0.0000000 -2.5007105 0.0000000 -0.1724417 0.0000000 -1.4230296 12 I -2.6947009 0.0000000 -0.1969046 0.0000000 -2.5007105 0.0000000 -0.1724417 0.0000000 -1.4230296 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.521 Solver_block: 200 / 400 - Time: 1.555 Solver_block: 300 / 400 - Time: 1.555 Solver_block: 400 / 400 - Time: 1.548 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.211 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1390 Number of blocks in projector: 1390 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: 296 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 178 Use standard eigh solver. Tree of FC basis block matrices: - (1390, 1363), data: False |-- (178, 174), data: True |-- (178, 174), data: True |-- (178, 174), data: True |-- (280, 276), data: True |-- (280, 276), data: True |-- (296, 289), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:26:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:26:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.200860178610386 -4.775228615000000 0.000000000000000 b 4.200860178610386 4.775228615000000 0.000000000000000 c -1.500041942875200 0.000000000000000 7.783080555901040 Atomic positions (fractional): 1 As 0.42137538629715 0.32601734283077 0.52706499559672 74.922 2 As 0.32601734283077 0.42137538629715 0.02706499559671 74.922 3 As 0.28953819554827 0.71046180445173 0.25000000000000 74.922 4 As 0.71046180445173 0.28953819554827 0.75000000000000 74.922 5 As 0.57862461370285 0.67398265716923 0.47293500440329 74.922 6 As 0.67398265716923 0.57862461370285 0.97293500440328 74.922 7 Cd 0.59756172332457 0.89079665074166 0.79507200417038 112.411 8 Cd 0.10920334925834 0.40243827667543 0.70492799582962 112.411 9 Cd 0.89079665074166 0.59756172332457 0.29507200417038 112.411 10 Cd 0.40243827667543 0.10920334925834 0.20492799582962 112.411 11 I 0.87551688529985 0.12448311470015 0.25000000000000 126.904 12 I 0.12448311470015 0.87551688529985 0.75000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.803440714441543 0.000000000000000 0.000000000000000 b 0.000000000000000 9.550457229999999 0.000000000000000 c -3.000083885750400 0.000000000000000 15.566161111802080 Atomic positions (fractional): 1 As 0.18684818228198 0.95232097826681 0.26353249779836 74.922 > 1 2 As 0.68684818228198 0.95232097826681 0.26353249779836 74.922 > 1 3 As 0.18684818228198 0.95232097826681 0.76353249779836 74.922 > 1 4 As 0.68684818228198 0.95232097826681 0.76353249779836 74.922 > 1 5 As 0.18684818228198 0.04767902173319 0.01353249779836 74.922 > 5 6 As 0.68684818228198 0.04767902173319 0.01353249779836 74.922 > 5 7 As 0.18684818228198 0.04767902173319 0.51353249779836 74.922 > 5 8 As 0.68684818228198 0.04767902173319 0.51353249779836 74.922 > 5 9 As 0.25000000000000 0.21046180445173 0.12500000000000 74.922 > 9 10 As 0.75000000000000 0.21046180445173 0.12500000000000 74.922 > 9 11 As 0.25000000000000 0.21046180445173 0.62500000000000 74.922 > 9 12 As 0.75000000000000 0.21046180445173 0.62500000000000 74.922 > 9 13 As 0.25000000000000 0.78953819554827 0.37500000000000 74.922 > 13 14 As 0.75000000000000 0.78953819554827 0.37500000000000 74.922 > 13 15 As 0.25000000000000 0.78953819554827 0.87500000000000 74.922 > 13 16 As 0.75000000000000 0.78953819554827 0.87500000000000 74.922 > 13 17 As 0.31315181771802 0.04767902173319 0.23646750220164 74.922 > 17 18 As 0.81315181771802 0.04767902173319 0.23646750220164 74.922 > 17 19 As 0.31315181771802 0.04767902173319 0.73646750220164 74.922 > 17 20 As 0.81315181771802 0.04767902173319 0.73646750220164 74.922 > 17 21 As 0.31315181771802 0.95232097826681 0.48646750220164 74.922 > 21 22 As 0.81315181771802 0.95232097826681 0.48646750220164 74.922 > 21 23 As 0.31315181771802 0.95232097826681 0.98646750220164 74.922 > 21 24 As 0.81315181771802 0.95232097826681 0.98646750220164 74.922 > 21 25 As 0.43684818228198 0.45232097826681 0.26353249779836 74.922 > 1 26 As 0.93684818228198 0.45232097826681 0.26353249779836 74.922 > 1 27 As 0.43684818228198 0.45232097826681 0.76353249779836 74.922 > 1 28 As 0.93684818228198 0.45232097826681 0.76353249779836 74.922 > 1 29 As 0.43684818228198 0.54767902173319 0.01353249779836 74.922 > 5 30 As 0.93684818228198 0.54767902173319 0.01353249779836 74.922 > 5 31 As 0.43684818228198 0.54767902173319 0.51353249779836 74.922 > 5 32 As 0.93684818228198 0.54767902173319 0.51353249779836 74.922 > 5 33 As 0.00000000000000 0.71046180445173 0.12500000000000 74.922 > 9 34 As 0.50000000000000 0.71046180445173 0.12500000000000 74.922 > 9 35 As 0.00000000000000 0.71046180445173 0.62500000000000 74.922 > 9 36 As 0.50000000000000 0.71046180445173 0.62500000000000 74.922 > 9 37 As 0.00000000000000 0.28953819554827 0.37500000000000 74.922 > 13 38 As 0.50000000000000 0.28953819554827 0.37500000000000 74.922 > 13 39 As 0.00000000000000 0.28953819554827 0.87500000000000 74.922 > 13 40 As 0.50000000000000 0.28953819554827 0.87500000000000 74.922 > 13 41 As 0.06315181771802 0.54767902173319 0.23646750220164 74.922 > 17 42 As 0.56315181771802 0.54767902173319 0.23646750220164 74.922 > 17 43 As 0.06315181771802 0.54767902173319 0.73646750220164 74.922 > 17 44 As 0.56315181771802 0.54767902173319 0.73646750220164 74.922 > 17 45 As 0.06315181771802 0.45232097826681 0.48646750220164 74.922 > 21 46 As 0.56315181771802 0.45232097826681 0.48646750220164 74.922 > 21 47 As 0.06315181771802 0.45232097826681 0.98646750220164 74.922 > 21 48 As 0.56315181771802 0.45232097826681 0.98646750220164 74.922 > 21 49 Cd 0.37208959351656 0.14661746370854 0.39753600208519 112.411 > 49 50 Cd 0.87208959351656 0.14661746370854 0.39753600208519 112.411 > 49 51 Cd 0.37208959351656 0.14661746370854 0.89753600208519 112.411 > 49 52 Cd 0.87208959351656 0.14661746370854 0.89753600208519 112.411 > 49 53 Cd 0.12791040648344 0.14661746370854 0.35246399791481 112.411 > 53 54 Cd 0.62791040648344 0.14661746370854 0.35246399791481 112.411 > 53 55 Cd 0.12791040648344 0.14661746370854 0.85246399791481 112.411 > 53 56 Cd 0.62791040648344 0.14661746370854 0.85246399791481 112.411 > 53 57 Cd 0.37208959351656 0.85338253629146 0.14753600208519 112.411 > 57 58 Cd 0.87208959351656 0.85338253629146 0.14753600208519 112.411 > 57 59 Cd 0.37208959351656 0.85338253629146 0.64753600208519 112.411 > 57 60 Cd 0.87208959351656 0.85338253629146 0.64753600208519 112.411 > 57 61 Cd 0.12791040648344 0.85338253629146 0.10246399791481 112.411 > 61 62 Cd 0.62791040648344 0.85338253629146 0.10246399791481 112.411 > 61 63 Cd 0.12791040648344 0.85338253629146 0.60246399791481 112.411 > 61 64 Cd 0.62791040648344 0.85338253629146 0.60246399791481 112.411 > 61 65 Cd 0.12208959351656 0.64661746370854 0.39753600208519 112.411 > 49 66 Cd 0.62208959351656 0.64661746370854 0.39753600208519 112.411 > 49 67 Cd 0.12208959351656 0.64661746370854 0.89753600208519 112.411 > 49 68 Cd 0.62208959351656 0.64661746370854 0.89753600208519 112.411 > 49 69 Cd 0.37791040648344 0.64661746370854 0.35246399791481 112.411 > 53 70 Cd 0.87791040648344 0.64661746370854 0.35246399791481 112.411 > 53 71 Cd 0.37791040648344 0.64661746370854 0.85246399791481 112.411 > 53 72 Cd 0.87791040648344 0.64661746370854 0.85246399791481 112.411 > 53 73 Cd 0.12208959351656 0.35338253629146 0.14753600208519 112.411 > 57 74 Cd 0.62208959351656 0.35338253629146 0.14753600208519 112.411 > 57 75 Cd 0.12208959351656 0.35338253629146 0.64753600208519 112.411 > 57 76 Cd 0.62208959351656 0.35338253629146 0.64753600208519 112.411 > 57 77 Cd 0.37791040648344 0.35338253629146 0.10246399791481 112.411 > 61 78 Cd 0.87791040648344 0.35338253629146 0.10246399791481 112.411 > 61 79 Cd 0.37791040648344 0.35338253629146 0.60246399791481 112.411 > 61 80 Cd 0.87791040648344 0.35338253629146 0.60246399791481 112.411 > 61 81 I 0.25000000000000 0.62448311470015 0.12500000000000 126.904 > 81 82 I 0.75000000000000 0.62448311470015 0.12500000000000 126.904 > 81 83 I 0.25000000000000 0.62448311470015 0.62500000000000 126.904 > 81 84 I 0.75000000000000 0.62448311470015 0.62500000000000 126.904 > 81 85 I 0.25000000000000 0.37551688529985 0.37500000000000 126.904 > 85 86 I 0.75000000000000 0.37551688529985 0.37500000000000 126.904 > 85 87 I 0.25000000000000 0.37551688529985 0.87500000000000 126.904 > 85 88 I 0.75000000000000 0.37551688529985 0.87500000000000 126.904 > 85 89 I 0.00000000000000 0.12448311470015 0.12500000000000 126.904 > 81 90 I 0.50000000000000 0.12448311470015 0.12500000000000 126.904 > 81 91 I 0.00000000000000 0.12448311470015 0.62500000000000 126.904 > 81 92 I 0.50000000000000 0.12448311470015 0.62500000000000 126.904 > 81 93 I 0.00000000000000 0.87551688529985 0.37500000000000 126.904 > 85 94 I 0.50000000000000 0.87551688529985 0.37500000000000 126.904 > 85 95 I 0.00000000000000 0.87551688529985 0.87500000000000 126.904 > 85 96 I 0.50000000000000 0.87551688529985 0.87500000000000 126.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6981256 0.0000000 0.4163419 0.0000000 11.8419887 0.0000000 0.4163285 0.0000000 13.0205301 -------------------------- Born effective charges -------------------------- 1 As -0.5666394 0.2102667 -0.1368808 0.0543105 -0.8606761 -0.3687254 -0.2729855 -0.3635119 -1.3233598 2 As -0.5666394 -0.2102667 -0.1368808 -0.0543105 -0.8606761 0.3687254 -0.2729855 0.3635119 -1.3233598 3 As -1.1709188 0.0000000 0.1463610 0.0000000 -0.5389771 0.0000000 0.4494931 0.0000000 -0.5662755 4 As -1.1709188 0.0000000 0.1463610 0.0000000 -0.5389771 0.0000000 0.4494931 0.0000000 -0.5662755 5 As -0.5666394 0.2102667 -0.1368808 0.0543105 -0.8606761 -0.3687254 -0.2729855 -0.3635119 -1.3233598 6 As -0.5666394 -0.2102667 -0.1368808 -0.0543105 -0.8606761 0.3687254 -0.2729855 0.3635119 -1.3233598 7 Cd 2.4994492 0.2306530 0.1621526 0.2931237 2.3805199 0.0977657 0.1344598 0.0627677 2.3180123 8 Cd 2.4994492 -0.2306530 0.1621526 -0.2931237 2.3805199 -0.0977657 0.1344598 -0.0627677 2.3180123 9 Cd 2.4994492 -0.2306530 0.1621526 -0.2931237 2.3805199 -0.0977657 0.1344598 -0.0627677 2.3180123 10 Cd 2.4994492 0.2306530 0.1621526 0.2931237 2.3805199 0.0977657 0.1344598 0.0627677 2.3180123 11 I -2.6947009 0.0000000 -0.1969046 0.0000000 -2.5007105 0.0000000 -0.1724417 0.0000000 -1.4230296 12 I -2.6947009 0.0000000 -0.1969046 0.0000000 -2.5007105 0.0000000 -0.1724417 0.0000000 -1.4230296 ---------------------------------------------------------------------------- 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 81, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 06:27:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:27:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.200860178610386 -4.775228615000000 0.000000000000000 b 4.200860178610386 4.775228615000000 0.000000000000000 c -1.500041942875200 0.000000000000000 7.783080555901040 Atomic positions (fractional): 1 As 0.42137538629715 0.32601734283077 0.52706499559672 74.922 2 As 0.32601734283077 0.42137538629715 0.02706499559671 74.922 3 As 0.28953819554827 0.71046180445173 0.25000000000000 74.922 4 As 0.71046180445173 0.28953819554827 0.75000000000000 74.922 5 As 0.57862461370285 0.67398265716923 0.47293500440329 74.922 6 As 0.67398265716923 0.57862461370285 0.97293500440328 74.922 7 Cd 0.59756172332457 0.89079665074166 0.79507200417038 112.411 8 Cd 0.10920334925834 0.40243827667543 0.70492799582962 112.411 9 Cd 0.89079665074166 0.59756172332457 0.29507200417038 112.411 10 Cd 0.40243827667543 0.10920334925834 0.20492799582962 112.411 11 I 0.87551688529985 0.12448311470015 0.25000000000000 126.904 12 I 0.12448311470015 0.87551688529985 0.75000000000000 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.803440714441543 0.000000000000000 0.000000000000000 b 0.000000000000000 9.550457229999999 0.000000000000000 c -3.000083885750400 0.000000000000000 15.566161111802080 Atomic positions (fractional): 1 As 0.18684818228198 0.95232097826681 0.26353249779836 74.922 > 1 2 As 0.68684818228198 0.95232097826681 0.26353249779836 74.922 > 1 3 As 0.18684818228198 0.95232097826681 0.76353249779836 74.922 > 1 4 As 0.68684818228198 0.95232097826681 0.76353249779836 74.922 > 1 5 As 0.18684818228198 0.04767902173319 0.01353249779836 74.922 > 5 6 As 0.68684818228198 0.04767902173319 0.01353249779836 74.922 > 5 7 As 0.18684818228198 0.04767902173319 0.51353249779836 74.922 > 5 8 As 0.68684818228198 0.04767902173319 0.51353249779836 74.922 > 5 9 As 0.25000000000000 0.21046180445173 0.12500000000000 74.922 > 9 10 As 0.75000000000000 0.21046180445173 0.12500000000000 74.922 > 9 11 As 0.25000000000000 0.21046180445173 0.62500000000000 74.922 > 9 12 As 0.75000000000000 0.21046180445173 0.62500000000000 74.922 > 9 13 As 0.25000000000000 0.78953819554827 0.37500000000000 74.922 > 13 14 As 0.75000000000000 0.78953819554827 0.37500000000000 74.922 > 13 15 As 0.25000000000000 0.78953819554827 0.87500000000000 74.922 > 13 16 As 0.75000000000000 0.78953819554827 0.87500000000000 74.922 > 13 17 As 0.31315181771802 0.04767902173319 0.23646750220164 74.922 > 17 18 As 0.81315181771802 0.04767902173319 0.23646750220164 74.922 > 17 19 As 0.31315181771802 0.04767902173319 0.73646750220164 74.922 > 17 20 As 0.81315181771802 0.04767902173319 0.73646750220164 74.922 > 17 21 As 0.31315181771802 0.95232097826681 0.48646750220164 74.922 > 21 22 As 0.81315181771802 0.95232097826681 0.48646750220164 74.922 > 21 23 As 0.31315181771802 0.95232097826681 0.98646750220164 74.922 > 21 24 As 0.81315181771802 0.95232097826681 0.98646750220164 74.922 > 21 25 As 0.43684818228198 0.45232097826681 0.26353249779836 74.922 > 1 26 As 0.93684818228198 0.45232097826681 0.26353249779836 74.922 > 1 27 As 0.43684818228198 0.45232097826681 0.76353249779836 74.922 > 1 28 As 0.93684818228198 0.45232097826681 0.76353249779836 74.922 > 1 29 As 0.43684818228198 0.54767902173319 0.01353249779836 74.922 > 5 30 As 0.93684818228198 0.54767902173319 0.01353249779836 74.922 > 5 31 As 0.43684818228198 0.54767902173319 0.51353249779836 74.922 > 5 32 As 0.93684818228198 0.54767902173319 0.51353249779836 74.922 > 5 33 As 0.00000000000000 0.71046180445173 0.12500000000000 74.922 > 9 34 As 0.50000000000000 0.71046180445173 0.12500000000000 74.922 > 9 35 As 0.00000000000000 0.71046180445173 0.62500000000000 74.922 > 9 36 As 0.50000000000000 0.71046180445173 0.62500000000000 74.922 > 9 37 As 0.00000000000000 0.28953819554827 0.37500000000000 74.922 > 13 38 As 0.50000000000000 0.28953819554827 0.37500000000000 74.922 > 13 39 As 0.00000000000000 0.28953819554827 0.87500000000000 74.922 > 13 40 As 0.50000000000000 0.28953819554827 0.87500000000000 74.922 > 13 41 As 0.06315181771802 0.54767902173319 0.23646750220164 74.922 > 17 42 As 0.56315181771802 0.54767902173319 0.23646750220164 74.922 > 17 43 As 0.06315181771802 0.54767902173319 0.73646750220164 74.922 > 17 44 As 0.56315181771802 0.54767902173319 0.73646750220164 74.922 > 17 45 As 0.06315181771802 0.45232097826681 0.48646750220164 74.922 > 21 46 As 0.56315181771802 0.45232097826681 0.48646750220164 74.922 > 21 47 As 0.06315181771802 0.45232097826681 0.98646750220164 74.922 > 21 48 As 0.56315181771802 0.45232097826681 0.98646750220164 74.922 > 21 49 Cd 0.37208959351656 0.14661746370854 0.39753600208519 112.411 > 49 50 Cd 0.87208959351656 0.14661746370854 0.39753600208519 112.411 > 49 51 Cd 0.37208959351656 0.14661746370854 0.89753600208519 112.411 > 49 52 Cd 0.87208959351656 0.14661746370854 0.89753600208519 112.411 > 49 53 Cd 0.12791040648344 0.14661746370854 0.35246399791481 112.411 > 53 54 Cd 0.62791040648344 0.14661746370854 0.35246399791481 112.411 > 53 55 Cd 0.12791040648344 0.14661746370854 0.85246399791481 112.411 > 53 56 Cd 0.62791040648344 0.14661746370854 0.85246399791481 112.411 > 53 57 Cd 0.37208959351656 0.85338253629146 0.14753600208519 112.411 > 57 58 Cd 0.87208959351656 0.85338253629146 0.14753600208519 112.411 > 57 59 Cd 0.37208959351656 0.85338253629146 0.64753600208519 112.411 > 57 60 Cd 0.87208959351656 0.85338253629146 0.64753600208519 112.411 > 57 61 Cd 0.12791040648344 0.85338253629146 0.10246399791481 112.411 > 61 62 Cd 0.62791040648344 0.85338253629146 0.10246399791481 112.411 > 61 63 Cd 0.12791040648344 0.85338253629146 0.60246399791481 112.411 > 61 64 Cd 0.62791040648344 0.85338253629146 0.60246399791481 112.411 > 61 65 Cd 0.12208959351656 0.64661746370854 0.39753600208519 112.411 > 49 66 Cd 0.62208959351656 0.64661746370854 0.39753600208519 112.411 > 49 67 Cd 0.12208959351656 0.64661746370854 0.89753600208519 112.411 > 49 68 Cd 0.62208959351656 0.64661746370854 0.89753600208519 112.411 > 49 69 Cd 0.37791040648344 0.64661746370854 0.35246399791481 112.411 > 53 70 Cd 0.87791040648344 0.64661746370854 0.35246399791481 112.411 > 53 71 Cd 0.37791040648344 0.64661746370854 0.85246399791481 112.411 > 53 72 Cd 0.87791040648344 0.64661746370854 0.85246399791481 112.411 > 53 73 Cd 0.12208959351656 0.35338253629146 0.14753600208519 112.411 > 57 74 Cd 0.62208959351656 0.35338253629146 0.14753600208519 112.411 > 57 75 Cd 0.12208959351656 0.35338253629146 0.64753600208519 112.411 > 57 76 Cd 0.62208959351656 0.35338253629146 0.64753600208519 112.411 > 57 77 Cd 0.37791040648344 0.35338253629146 0.10246399791481 112.411 > 61 78 Cd 0.87791040648344 0.35338253629146 0.10246399791481 112.411 > 61 79 Cd 0.37791040648344 0.35338253629146 0.60246399791481 112.411 > 61 80 Cd 0.87791040648344 0.35338253629146 0.60246399791481 112.411 > 61 81 I 0.25000000000000 0.62448311470015 0.12500000000000 126.904 > 81 82 I 0.75000000000000 0.62448311470015 0.12500000000000 126.904 > 81 83 I 0.25000000000000 0.62448311470015 0.62500000000000 126.904 > 81 84 I 0.75000000000000 0.62448311470015 0.62500000000000 126.904 > 81 85 I 0.25000000000000 0.37551688529985 0.37500000000000 126.904 > 85 86 I 0.75000000000000 0.37551688529985 0.37500000000000 126.904 > 85 87 I 0.25000000000000 0.37551688529985 0.87500000000000 126.904 > 85 88 I 0.75000000000000 0.37551688529985 0.87500000000000 126.904 > 85 89 I 0.00000000000000 0.12448311470015 0.12500000000000 126.904 > 81 90 I 0.50000000000000 0.12448311470015 0.12500000000000 126.904 > 81 91 I 0.00000000000000 0.12448311470015 0.62500000000000 126.904 > 81 92 I 0.50000000000000 0.12448311470015 0.62500000000000 126.904 > 81 93 I 0.00000000000000 0.87551688529985 0.37500000000000 126.904 > 85 94 I 0.50000000000000 0.87551688529985 0.37500000000000 126.904 > 85 95 I 0.00000000000000 0.87551688529985 0.87500000000000 126.904 > 85 96 I 0.50000000000000 0.87551688529985 0.87500000000000 126.904 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.6981256 0.0000000 0.4163419 0.0000000 11.8419887 0.0000000 0.4163285 0.0000000 13.0205301 -------------------------- Born effective charges -------------------------- 1 As -0.5666394 0.2102667 -0.1368808 0.0543105 -0.8606761 -0.3687254 -0.2729855 -0.3635119 -1.3233598 2 As -0.5666394 -0.2102667 -0.1368808 -0.0543105 -0.8606761 0.3687254 -0.2729855 0.3635119 -1.3233598 3 As -1.1709188 0.0000000 0.1463610 0.0000000 -0.5389771 0.0000000 0.4494931 0.0000000 -0.5662755 4 As -1.1709188 0.0000000 0.1463610 0.0000000 -0.5389771 0.0000000 0.4494931 0.0000000 -0.5662755 5 As -0.5666394 0.2102667 -0.1368808 0.0543105 -0.8606761 -0.3687254 -0.2729855 -0.3635119 -1.3233598 6 As -0.5666394 -0.2102667 -0.1368808 -0.0543105 -0.8606761 0.3687254 -0.2729855 0.3635119 -1.3233598 7 Cd 2.4994492 0.2306530 0.1621526 0.2931237 2.3805199 0.0977657 0.1344598 0.0627677 2.3180123 8 Cd 2.4994492 -0.2306530 0.1621526 -0.2931237 2.3805199 -0.0977657 0.1344598 -0.0627677 2.3180123 9 Cd 2.4994492 -0.2306530 0.1621526 -0.2931237 2.3805199 -0.0977657 0.1344598 -0.0627677 2.3180123 10 Cd 2.4994492 0.2306530 0.1621526 0.2931237 2.3805199 0.0977657 0.1344598 0.0627677 2.3180123 11 I -2.6947009 0.0000000 -0.1969046 0.0000000 -2.5007105 0.0000000 -0.1724417 0.0000000 -1.4230296 12 I -2.6947009 0.0000000 -0.1969046 0.0000000 -2.5007105 0.0000000 -0.1724417 0.0000000 -1.4230296 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 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: 0.61, Number of G-points: 295, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 114 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 0.837 ( 0.000 0.000 0.000) 0.000 1.078 ( 0.000 0.000 0.000) 0.000 1.168 ( 0.000 0.000 0.000) 0.000 1.333 ( 0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.041 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.696 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.316 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.802 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 9.278 -9.520 1.429) 13.370 0.333 ( 11.266 -9.750 8.652) 17.229 0.680 ( 24.042 -17.840 -3.136) 30.102 0.977 ( 10.663 -8.044 1.642) 13.458 1.072 ( 1.181 2.904 2.033) 3.736 1.177 ( -0.830 -1.844 0.199) 2.032 1.359 ( 1.914 -1.575 1.320) 2.808 1.377 ( 2.696 -0.047 -1.283) 2.986 1.636 ( -2.383 -3.093 -0.855) 3.997 1.706 ( 0.238 -0.482 1.908) 1.982 1.770 ( -0.907 -3.740 -0.360) 3.866 1.910 ( -0.602 3.298 0.723) 3.430 1.963 ( 2.992 0.649 -2.764) 4.125 2.086 ( 0.250 -5.068 2.437) 5.629 2.340 ( -3.483 2.735 0.739) 4.489 2.634 ( 1.688 -0.875 0.554) 1.980 2.671 ( 7.430 3.541 -0.973) 8.288 2.945 ( 1.012 -1.395 0.244) 1.740 3.029 ( 2.729 -1.155 -0.587) 3.021 3.240 ( -5.016 -4.473 -2.980) 7.351 3.420 ( 3.994 0.091 8.615) 9.496 3.705 ( 1.984 0.786 -1.722) 2.742 4.749 ( -4.426 1.032 0.134) 4.547 5.237 ( -8.320 5.553 -0.155) 10.004 5.675 ( 7.488 2.936 0.188) 8.045 5.922 ( -9.174 -0.365 2.528) 9.523 6.195 ( 1.571 1.690 -2.434) 3.354 6.347 ( -1.215 -0.526 -2.506) 2.834 6.464 ( -0.339 -3.370 2.163) 4.018 6.618 ( 5.662 -0.212 -2.500) 6.193 7.316 ( 0.323 0.249 -0.040) 0.410 7.323 ( 0.340 -0.781 0.151) 0.865 7.526 ( -0.572 -0.733 0.161) 0.944 7.554 ( 0.385 -0.213 0.116) 0.455 7.762 ( 0.974 -1.149 -0.348) 1.546 7.800 ( -0.206 0.075 0.180) 0.284 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 5.567 -5.628 0.898) 7.967 0.619 ( 8.316 -7.009 7.113) 12.996 1.040 ( 3.372 1.144 -0.720) 3.633 1.099 ( 12.333 -3.203 1.776) 12.866 1.190 ( -1.214 -2.347 1.291) 2.941 1.276 ( 7.998 -6.476 -5.075) 11.474 1.379 ( 0.709 0.827 -0.362) 1.148 1.479 ( 5.182 -6.255 3.815) 8.974 1.675 ( -0.341 -2.353 -0.634) 2.461 1.707 ( -3.177 -0.415 1.861) 3.705 1.795 ( 3.357 -0.860 2.709) 4.399 1.936 ( 2.613 -7.534 -1.404) 8.097 1.993 ( 2.822 0.865 -3.732) 4.758 2.213 ( 2.869 -9.225 0.768) 9.691 2.252 ( -1.053 1.776 0.047) 2.065 2.687 ( 2.819 -1.500 -1.361) 3.471 2.738 ( 6.792 2.677 0.101) 7.301 2.991 ( 1.454 -2.324 0.130) 2.744 3.090 ( 0.543 -4.038 -1.335) 4.288 3.221 ( -3.535 -3.732 0.379) 5.154 3.517 ( 5.388 -0.558 3.772) 6.601 3.712 ( 2.241 2.593 -2.097) 4.018 4.630 ( -8.150 3.181 1.327) 8.849 5.010 ( -8.525 8.072 -1.020) 11.785 5.733 ( 6.060 4.666 -2.794) 8.143 5.816 ( -4.351 0.431 2.450) 5.012 6.129 ( -5.225 1.259 1.163) 5.499 6.362 ( -0.061 -1.824 -2.164) 2.830 6.533 ( 2.668 -3.406 2.053) 4.789 6.687 ( 3.661 -0.188 -1.815) 4.090 7.320 ( 0.592 0.230 -0.086) 0.641 7.344 ( 0.527 -1.212 0.306) 1.356 7.529 ( -0.579 -0.990 0.230) 1.169 7.560 ( 0.249 0.131 0.225) 0.360 7.790 ( 0.108 -0.294 0.018) 0.314 7.804 ( 0.916 -1.251 -0.188) 1.562 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 1.516 -1.380 0.509) 2.112 0.772 ( 2.593 -1.147 3.772) 4.718 1.050 ( 2.098 0.648 0.401) 2.232 1.216 ( -0.133 -2.667 1.435) 3.031 1.299 ( 7.068 -1.508 1.907) 7.475 1.364 ( 1.647 -1.772 -3.341) 4.125 1.399 ( 2.544 -0.617 -1.491) 3.013 1.548 ( -0.692 2.735 1.739) 3.314 1.680 ( -2.087 -1.789 -0.619) 2.817 1.721 ( 1.311 -4.674 1.636) 5.123 1.858 ( 1.844 -0.531 0.617) 2.016 2.004 ( 1.372 0.817 -1.681) 2.318 2.068 ( 0.804 -4.736 2.823) 5.571 2.179 ( -0.867 1.811 -1.264) 2.373 2.549 ( 12.386 -15.371 -2.109) 19.853 2.736 ( 1.840 -1.080 -1.886) 2.848 2.798 ( 5.226 1.143 0.753) 5.402 3.032 ( 0.221 -1.609 0.079) 1.626 3.105 ( -3.694 -1.019 -1.908) 4.281 3.263 ( 1.787 -4.126 1.579) 4.765 3.595 ( 2.525 -0.682 1.480) 3.006 3.686 ( 1.355 4.817 -1.068) 5.117 4.447 ( -9.423 3.909 2.542) 10.514 4.811 ( -4.367 5.581 -1.878) 7.331 5.699 ( -1.501 1.753 -1.014) 2.521 5.820 ( 4.855 2.963 -0.367) 5.699 6.048 ( -5.673 -1.148 1.967) 6.113 6.369 ( -0.366 -0.750 -0.994) 1.298 6.621 ( 2.818 -2.367 1.010) 3.817 6.718 ( 1.198 0.308 -1.105) 1.659 7.326 ( 0.487 0.102 -0.058) 0.501 7.368 ( 0.442 -0.927 0.168) 1.040 7.536 ( -0.349 -0.994 0.097) 1.057 7.558 ( 0.025 0.564 0.246) 0.616 7.786 ( -0.235 0.108 0.188) 0.320 7.838 ( 0.892 -1.173 -0.258) 1.496 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 0.000 -0.000 0.000) 0.000 0.790 ( 0.000 -0.000 0.000) 0.000 1.070 ( 0.000 -0.000 -0.000) 0.000 1.243 ( 0.000 -0.000 -0.000) 0.000 1.351 ( 0.000 -0.000 0.000) 0.000 1.393 ( 0.000 -0.000 0.000) 0.000 1.426 ( 0.000 -0.000 0.000) 0.000 1.516 ( 0.000 -0.000 0.000) 0.000 1.672 ( 0.000 -0.000 0.000) 0.000 1.774 ( 0.000 -0.000 -0.000) 0.000 1.874 ( 0.000 -0.000 0.000) 0.000 2.006 ( 0.000 -0.000 0.000) 0.000 2.104 ( 0.000 -0.000 -0.000) 0.000 2.161 ( 0.000 -0.000 -0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.754 ( -0.000 -0.000 -0.000) 0.000 2.960 ( 0.000 -0.000 -0.000) 0.000 2.974 ( -0.000 0.000 0.000) 0.000 3.047 ( 0.000 -0.000 0.000) 0.000 3.325 ( 0.000 -0.000 0.000) 0.000 3.631 ( 0.000 0.000 -0.000) 0.000 3.636 ( 0.000 -0.000 0.000) 0.000 4.339 ( 0.000 -0.000 0.000) 0.000 4.739 ( 0.000 -0.000 0.000) 0.000 5.673 ( 0.000 -0.000 0.000) 0.000 5.840 ( 0.000 -0.000 0.000) 0.000 6.014 ( 0.000 -0.000 -0.000) 0.000 6.370 ( 0.000 -0.000 0.000) 0.000 6.666 ( 0.000 -0.000 -0.000) 0.000 6.718 ( 0.000 -0.000 0.000) 0.000 7.329 ( 0.000 -0.000 0.000) 0.000 7.378 ( 0.000 -0.000 -0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.552 ( 0.000 -0.000 0.000) 0.000 7.784 ( 0.000 -0.000 0.000) 0.000 7.853 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 13.807 -0.000 8.858) 16.404 0.567 ( 20.524 -0.000 -0.230) 20.525 0.980 ( 25.722 -0.000 -2.915) 25.886 1.084 ( 10.860 -0.000 2.013) 11.045 1.123 ( 3.288 -0.000 0.418) 3.314 1.145 ( -1.264 0.000 0.156) 1.273 1.404 ( 5.475 -0.000 2.653) 6.084 1.454 ( 6.745 -0.000 -0.915) 6.806 1.560 ( -2.073 0.000 -1.405) 2.504 1.712 ( -0.853 0.000 2.723) 2.854 1.716 ( -0.883 0.000 -2.145) 2.319 1.975 ( -1.926 0.000 3.697) 4.169 1.995 ( 4.278 -0.000 -0.697) 4.335 2.021 ( 0.485 -0.000 -2.367) 2.416 2.303 ( -3.654 0.000 1.483) 3.943 2.660 ( 2.919 -0.000 -0.213) 2.927 2.809 ( 7.490 -0.000 -0.819) 7.535 2.960 ( 2.100 -0.000 0.319) 2.124 3.026 ( -1.301 0.000 -1.553) 2.026 3.151 ( -2.427 0.000 -0.387) 2.458 3.520 ( 5.974 -0.000 6.480) 8.813 3.745 ( 3.472 -0.000 -3.571) 4.980 4.669 ( -7.732 0.000 1.239) 7.831 5.133 ( -10.388 0.000 -0.619) 10.406 5.772 ( -8.278 0.000 0.899) 8.327 5.809 ( 7.357 -0.000 -1.322) 7.475 6.212 ( -9.268 0.000 0.546) 9.284 6.304 ( 4.288 -0.000 -2.742) 5.089 6.479 ( 3.747 -0.000 2.906) 4.742 6.686 ( 4.238 -0.000 -2.694) 5.022 7.322 ( 0.319 -0.000 0.557) 0.642 7.333 ( 1.350 -0.000 -0.349) 1.394 7.513 ( -0.548 0.000 0.309) 0.629 7.560 ( 0.511 -0.000 0.382) 0.638 7.775 ( 1.900 -0.000 -0.515) 1.968 7.797 ( -0.397 0.000 0.408) 0.569 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 9.978 -1.539 7.572) 12.620 0.798 ( 19.236 9.444 0.188) 21.430 1.091 ( 0.590 2.060 -0.685) 2.250 1.154 ( -0.066 -2.132 1.337) 2.517 1.243 ( 7.392 -2.148 1.870) 7.921 1.292 ( 5.939 -3.097 -4.615) 8.134 1.453 ( 3.768 5.880 -0.989) 7.053 1.566 ( 11.411 -0.860 2.508) 11.715 1.625 ( -0.672 -2.858 -1.929) 3.513 1.677 ( -2.182 1.046 1.696) 2.955 1.830 ( 7.938 -9.521 2.602) 12.666 1.909 ( -0.698 3.109 2.352) 3.960 2.047 ( 4.439 0.562 -6.073) 7.544 2.128 ( 2.546 -9.019 1.686) 9.522 2.274 ( 2.694 0.153 1.062) 2.900 2.708 ( 2.480 -0.800 -1.276) 2.901 2.887 ( 6.003 4.164 0.502) 7.323 3.004 ( 2.530 -0.449 0.092) 2.571 3.033 ( -0.170 -3.904 -0.661) 3.964 3.142 ( -0.715 -3.080 -0.648) 3.227 3.621 ( 5.840 1.086 3.794) 7.048 3.777 ( 3.327 1.794 -3.321) 5.032 4.520 ( -11.513 1.497 2.745) 11.930 4.946 ( -9.897 3.587 -1.819) 10.683 5.684 ( -5.247 -1.898 -1.623) 5.811 5.856 ( -1.411 0.789 -0.758) 1.786 6.096 ( -1.393 2.650 0.862) 3.115 6.343 ( 0.371 -1.035 0.820) 1.371 6.566 ( 4.989 -1.401 0.738) 5.234 6.724 ( 1.781 0.156 -1.726) 2.485 7.329 ( 0.475 0.041 0.266) 0.546 7.358 ( 2.020 0.059 0.116) 2.024 7.511 ( -0.406 -0.654 0.294) 0.824 7.567 ( 0.250 0.130 0.522) 0.593 7.790 ( -0.308 0.163 0.494) 0.605 7.811 ( 2.232 -0.699 -0.505) 2.393 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 3.554 3.983 5.225) 7.469 0.901 ( 15.633 13.751 -0.609) 20.829 1.074 ( 0.606 1.092 -1.179) 1.718 1.199 ( 1.811 -2.358 1.532) 3.344 1.316 ( 0.173 -1.922 -0.694) 2.051 1.365 ( 1.133 -1.733 -0.791) 2.216 1.460 ( 3.308 2.576 -0.203) 4.197 1.583 ( -2.200 3.799 1.455) 4.625 1.638 ( 0.821 -1.863 -1.698) 2.651 1.758 ( 8.108 -0.975 0.209) 8.169 1.888 ( -0.236 0.701 2.035) 2.166 1.983 ( 0.140 -3.346 3.562) 4.889 2.085 ( 3.344 0.970 -1.769) 3.905 2.190 ( 0.789 0.736 -1.005) 1.475 2.555 ( 14.871 -13.079 -1.746) 19.881 2.737 ( 0.739 -0.577 -1.326) 1.624 2.898 ( 3.181 2.542 0.993) 4.191 3.042 ( 2.114 0.282 0.635) 2.225 3.060 ( -0.312 0.323 -1.409) 1.479 3.231 ( 3.409 -6.053 0.280) 6.953 3.656 ( 1.257 4.188 2.052) 4.830 3.769 ( 1.902 4.438 -1.695) 5.117 4.340 ( -9.704 0.138 3.327) 10.260 4.771 ( -6.936 2.024 -2.455) 7.631 5.647 ( -2.511 -1.993 -3.502) 4.748 5.768 ( -10.037 -2.839 2.103) 10.641 6.101 ( 6.405 4.312 -0.761) 7.758 6.360 ( 0.050 -0.758 2.007) 2.145 6.648 ( 3.385 -0.977 -0.221) 3.530 6.725 ( -0.518 0.374 -0.854) 1.067 7.334 ( 0.334 0.308 0.087) 0.463 7.387 ( 2.089 0.537 0.302) 2.178 7.519 ( -0.134 -1.002 0.218) 1.034 7.567 ( 0.037 0.435 0.434) 0.616 7.786 ( -0.225 0.095 0.493) 0.550 7.849 ( 1.967 -0.198 -0.368) 2.011 ======================= Grid point 13 (9/114) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 1.476 4.895 2.026) 5.499 0.920 ( 13.237 15.130 -1.082) 20.132 1.052 ( -1.354 1.347 -2.062) 2.811 1.255 ( 1.642 -0.338 0.760) 1.841 1.318 ( -2.277 0.007 -0.844) 2.428 1.382 ( -0.431 -0.749 0.625) 1.067 1.439 ( -1.509 2.195 0.244) 2.674 1.517 ( -1.147 1.660 0.694) 2.133 1.693 ( 3.517 -1.079 -1.972) 4.174 1.835 ( 3.387 2.943 -0.424) 4.507 1.884 ( 0.418 0.974 1.697) 2.001 2.000 ( -0.950 0.045 1.263) 1.582 2.118 ( 1.677 -0.375 3.051) 3.501 2.178 ( 1.221 2.555 -3.519) 4.517 2.719 ( -1.493 0.168 -1.125) 1.877 2.761 ( -0.198 0.225 0.376) 0.481 2.961 ( -4.987 8.734 0.100) 10.058 3.043 ( 11.107 -5.666 0.153) 12.470 3.077 ( 2.557 1.500 0.703) 3.047 3.311 ( -1.417 -0.015 0.780) 1.618 3.588 ( -2.356 0.262 1.181) 2.649 3.708 ( 0.025 6.351 -1.003) 6.429 4.323 ( 2.423 -5.476 0.298) 5.996 4.695 ( -3.015 -2.973 -0.822) 4.314 5.622 ( -5.736 -3.375 -0.128) 6.657 5.696 ( -5.617 -5.292 -0.890) 7.769 6.143 ( 7.063 4.621 -0.810) 8.480 6.378 ( 0.745 -0.185 1.871) 2.022 6.672 ( -0.520 1.315 -0.946) 1.701 6.709 ( -0.619 -0.298 0.326) 0.760 7.331 ( -0.032 0.507 0.073) 0.513 7.401 ( 1.413 1.472 0.245) 2.055 7.533 ( 0.064 -1.008 0.164) 1.023 7.562 ( 0.206 0.623 0.121) 0.667 7.785 ( 0.042 -0.022 0.280) 0.284 7.867 ( 1.063 0.969 -0.112) 1.443 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.186 5.611 -0.112) 5.615 0.893 ( 11.001 16.658 -2.661) 20.140 0.993 ( -3.558 -0.058 -1.567) 3.888 1.224 ( -4.742 4.806 -1.111) 6.843 1.258 ( 0.915 2.543 -0.984) 2.876 1.356 ( -3.361 1.627 4.540) 5.878 1.396 ( -0.113 1.411 -0.802) 1.627 1.534 ( 2.172 -2.063 -0.976) 3.150 1.727 ( 0.913 1.286 -2.058) 2.593 1.805 ( 2.010 5.935 -0.862) 6.325 1.850 ( -2.825 2.777 0.615) 4.009 1.977 ( -1.898 1.153 2.357) 3.238 2.129 ( 1.317 5.122 -2.214) 5.734 2.173 ( 1.697 -2.178 0.812) 2.878 2.583 ( -9.601 13.653 0.940) 16.718 2.719 ( -2.664 1.701 0.953) 3.302 2.746 ( -4.911 4.383 1.507) 6.752 3.072 ( 0.536 3.501 0.513) 3.579 3.183 ( 1.768 2.736 2.592) 4.163 3.274 ( 2.189 -0.625 -2.440) 3.337 3.600 ( -2.606 5.122 -1.032) 5.839 3.621 ( 0.259 -2.800 0.418) 2.843 4.502 ( 8.017 -6.760 -1.731) 10.629 4.767 ( 2.307 -9.408 0.827) 9.722 5.576 ( -9.288 -6.725 3.092) 11.877 5.726 ( 0.639 -5.000 -3.861) 6.350 6.185 ( 6.362 3.961 -0.080) 7.495 6.393 ( 0.886 0.668 1.100) 1.563 6.617 ( -2.146 2.512 -0.579) 3.354 6.696 ( -1.683 0.536 0.531) 1.844 7.322 ( -0.298 0.488 0.099) 0.580 7.391 ( 0.529 2.208 0.048) 2.271 7.546 ( 0.107 -0.551 0.157) 0.583 7.558 ( 0.428 0.638 -0.196) 0.792 7.789 ( 0.249 -0.126 0.040) 0.282 7.854 ( 0.030 2.159 0.112) 2.163 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -3.852 11.545 -1.403) 12.251 0.764 ( 4.124 18.415 -4.422) 19.382 0.974 ( -2.210 -3.254 -0.377) 3.952 1.069 ( -0.177 11.601 0.624) 11.619 1.233 ( 0.481 2.352 -0.543) 2.461 1.266 ( -5.362 8.114 3.931) 10.490 1.386 ( 0.890 1.212 -0.772) 1.690 1.506 ( -4.476 8.225 -2.372) 9.660 1.694 ( 1.095 -0.181 -3.003) 3.202 1.763 ( -3.140 2.322 0.649) 3.959 1.777 ( 2.933 2.571 -0.453) 3.927 1.915 ( -4.900 0.599 2.775) 5.663 2.070 ( 3.344 8.650 -0.266) 9.278 2.244 ( 0.657 -1.623 -0.139) 1.756 2.259 ( -5.867 8.432 0.921) 10.313 2.651 ( -3.692 1.481 0.328) 3.991 2.671 ( -2.298 1.433 1.219) 2.970 3.015 ( -0.957 3.782 -0.027) 3.901 3.139 ( -0.161 4.736 0.491) 4.764 3.321 ( 4.278 1.790 -0.258) 4.645 3.473 ( -3.841 4.854 -1.818) 6.451 3.661 ( -0.573 -2.405 0.705) 2.570 4.665 ( 3.831 -4.942 -0.327) 6.261 4.996 ( 6.878 -12.371 -0.069) 14.155 5.544 ( -7.560 -6.618 1.842) 10.215 5.813 ( 1.851 -6.509 -2.415) 7.185 6.229 ( 5.718 3.110 0.612) 6.538 6.379 ( -1.506 1.597 0.224) 2.206 6.562 ( 0.475 3.017 -0.399) 3.080 6.644 ( -3.642 1.716 0.796) 4.104 7.312 ( -0.278 0.198 0.076) 0.350 7.365 ( 0.055 2.270 -0.122) 2.274 7.549 ( 0.435 0.671 -0.029) 0.800 7.556 ( -0.066 0.054 -0.107) 0.137 7.794 ( 0.282 -0.085 -0.062) 0.301 7.817 ( -0.564 2.643 0.196) 2.710 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -0.000 15.018 -0.000) 15.018 0.540 ( -0.000 19.127 -0.000) 19.127 0.857 ( -0.000 30.280 -0.000) 30.280 0.963 ( -0.000 4.951 -0.000) 4.951 1.028 ( -0.000 0.592 -0.000) 0.592 1.208 ( -0.000 2.027 -0.000) 2.027 1.368 ( -0.000 2.140 -0.000) 2.140 1.387 ( -0.000 3.515 -0.000) 3.515 1.695 ( -0.000 1.469 -0.000) 1.469 1.705 ( -0.000 2.477 -0.000) 2.477 1.810 ( -0.000 0.165 -0.000) 0.165 1.889 ( 0.000 -3.237 0.000) 3.237 1.973 ( -0.000 8.144 -0.000) 8.144 2.120 ( -0.000 3.922 -0.000) 3.922 2.322 ( 0.000 -4.001 0.000) 4.001 2.595 ( -0.000 1.716 -0.000) 1.716 2.639 ( -0.000 0.944 -0.000) 0.944 2.963 ( -0.000 2.700 -0.000) 2.700 3.061 ( -0.000 6.226 -0.000) 6.226 3.356 ( -0.000 0.660 -0.000) 0.660 3.364 ( -0.000 3.827 -0.000) 3.827 3.679 ( 0.000 -1.294 0.000) 1.294 4.751 ( 0.000 -3.784 0.000) 3.784 5.214 ( 0.000 -10.014 0.000) 10.014 5.554 ( 0.000 -4.646 0.000) 4.646 5.916 ( 0.000 -6.595 0.000) 6.595 6.269 ( -0.000 1.746 -0.000) 1.746 6.318 ( -0.000 1.542 -0.000) 1.542 6.537 ( -0.000 5.285 -0.000) 5.285 6.573 ( -0.000 0.569 -0.000) 0.569 7.310 ( 0.000 -0.183 0.000) 0.183 7.338 ( -0.000 1.712 -0.000) 1.712 7.542 ( -0.000 0.913 -0.000) 0.913 7.554 ( -0.000 0.174 -0.000) 0.174 7.777 ( -0.000 2.286 -0.000) 2.286 7.799 ( 0.000 -0.178 0.000) 0.178 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 6.918 -0.000 6.384) 9.414 1.120 ( 3.368 -0.000 -1.874) 3.854 1.127 ( 0.571 -0.000 0.098) 0.580 1.151 ( 13.718 -0.000 3.890) 14.259 1.300 ( 3.025 -0.000 1.591) 3.418 1.317 ( 1.567 -0.000 -3.974) 4.272 1.559 ( -2.005 0.000 0.191) 2.015 1.585 ( 2.173 -0.000 -0.863) 2.338 1.683 ( -0.811 0.000 3.776) 3.863 1.722 ( 9.260 -0.000 -0.555) 9.276 1.830 ( 0.607 -0.000 -0.602) 0.855 2.021 ( 8.161 -0.000 3.681) 8.953 2.091 ( 5.914 -0.000 -7.559) 9.597 2.110 ( 3.139 -0.000 0.633) 3.202 2.372 ( 11.801 -0.000 2.524) 12.068 2.730 ( 1.398 -0.000 -0.893) 1.659 2.964 ( -2.157 0.000 0.102) 2.159 3.036 ( 6.472 -0.000 0.653) 6.505 3.055 ( 4.170 -0.000 0.381) 4.188 3.126 ( 2.661 -0.000 -1.708) 3.161 3.725 ( 5.290 -0.000 2.843) 6.006 3.829 ( 3.004 -0.000 -3.134) 4.341 4.343 ( -14.549 0.000 4.138) 15.126 4.806 ( -10.428 0.000 -2.510) 10.726 5.607 ( -2.368 0.000 -3.638) 4.341 5.734 ( -12.406 0.000 1.115) 12.456 6.170 ( 6.772 -0.000 -1.698) 6.982 6.342 ( -0.463 0.000 4.049) 4.075 6.632 ( 4.663 -0.000 -0.708) 4.717 6.731 ( -0.462 0.000 -1.116) 1.208 7.339 ( 0.667 -0.000 0.240) 0.709 7.396 ( 2.752 -0.000 0.242) 2.762 7.504 ( -0.146 0.000 0.329) 0.360 7.572 ( 0.012 -0.000 0.646) 0.646 7.787 ( -0.378 0.000 0.739) 0.830 7.846 ( 2.888 -0.000 -0.535) 2.937 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 0.529 2.588 3.358) 4.272 1.075 ( -0.721 4.131 -0.578) 4.233 1.194 ( 2.341 -3.266 1.096) 4.166 1.307 ( 1.882 2.250 -0.901) 3.069 1.311 ( 6.713 1.769 0.431) 6.956 1.368 ( 6.382 2.968 2.046) 7.330 1.503 ( -2.277 2.134 -0.142) 3.123 1.578 ( -2.341 1.072 0.127) 2.578 1.676 ( 3.597 1.978 -0.224) 4.111 1.821 ( -3.883 -4.408 2.481) 6.377 1.883 ( 8.169 0.015 0.469) 8.183 2.057 ( 5.136 5.361 0.607) 7.449 2.134 ( 2.357 0.613 -3.003) 3.866 2.215 ( 4.268 -1.429 -2.753) 5.276 2.649 ( 13.526 -5.291 0.307) 14.527 2.739 ( 0.311 -0.086 -0.290) 0.434 2.948 ( 2.640 -0.523 0.818) 2.813 3.094 ( 2.828 2.345 -1.534) 3.981 3.113 ( 4.831 1.211 0.916) 5.064 3.230 ( 5.675 -4.041 0.285) 6.972 3.744 ( -0.375 7.402 2.094) 7.702 3.839 ( 1.491 2.805 -1.611) 3.561 4.169 ( -10.589 -5.362 4.008) 12.528 4.654 ( -8.328 -0.468 -2.932) 8.842 5.550 ( -12.720 -1.714 1.422) 12.913 5.589 ( -1.514 -2.325 -3.962) 4.838 6.249 ( 6.687 2.991 -1.299) 7.440 6.358 ( 0.215 -1.161 3.731) 3.913 6.688 ( 2.763 0.095 -1.140) 2.990 6.707 ( -2.034 0.098 -0.326) 2.062 7.347 ( 0.548 0.476 0.114) 0.735 7.434 ( 2.607 0.769 0.354) 2.742 7.509 ( 0.079 -0.638 0.330) 0.722 7.572 ( -0.083 0.148 0.481) 0.510 7.785 ( -0.176 0.013 0.687) 0.710 7.885 ( 2.547 0.350 -0.351) 2.595 ======================= Grid point 21 (15/114) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -0.472 3.263 1.434) 3.595 1.004 ( -2.230 2.894 -1.618) 3.996 1.242 ( 0.967 1.898 0.299) 2.151 1.280 ( -1.144 2.063 0.289) 2.377 1.363 ( 3.244 0.605 0.854) 3.409 1.397 ( 1.785 5.749 0.400) 6.033 1.463 ( 5.337 5.023 0.581) 7.352 1.526 ( -1.054 1.364 0.526) 1.802 1.716 ( 1.354 -0.910 -2.170) 2.715 1.818 ( -3.451 -2.927 2.125) 4.999 1.963 ( 4.768 3.305 -0.110) 5.803 2.061 ( 3.622 4.805 1.313) 6.158 2.148 ( 1.437 0.307 -0.711) 1.632 2.249 ( 4.451 3.868 -3.491) 6.853 2.710 ( -0.797 1.455 -0.494) 1.731 2.757 ( -1.246 0.802 0.036) 1.483 3.038 ( -1.539 9.750 -0.341) 9.876 3.131 ( 8.853 -3.852 0.987) 9.705 3.163 ( 5.841 1.142 0.678) 5.990 3.309 ( -0.778 2.288 1.998) 3.135 3.576 ( -3.696 4.181 1.233) 5.715 3.784 ( -0.625 6.080 -0.814) 6.166 4.252 ( 2.730 -12.383 0.590) 12.694 4.579 ( -4.703 -4.458 -1.711) 6.702 5.414 ( -11.537 -4.974 2.511) 12.812 5.607 ( -0.056 -3.543 -4.254) 5.537 6.287 ( 4.581 3.504 1.150) 5.882 6.396 ( 2.046 -0.545 0.465) 2.168 6.657 ( -3.154 0.693 0.324) 3.245 6.714 ( 0.997 0.649 -0.807) 1.438 7.343 ( 0.220 0.963 0.081) 0.991 7.449 ( 1.582 1.937 0.293) 2.518 7.522 ( 0.144 -0.951 0.286) 1.004 7.571 ( 0.226 0.186 0.152) 0.330 7.786 ( 0.055 -0.065 0.425) 0.433 7.904 ( 1.550 1.447 -0.143) 2.125 ======================= Grid point 22 (16/114) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 1.205 4.177 0.310) 4.358 0.925 ( -3.047 1.405 -1.264) 3.586 1.138 ( -1.863 9.698 -0.688) 9.899 1.271 ( 0.338 0.788 0.028) 0.858 1.314 ( -1.927 4.980 0.270) 5.347 1.377 ( 0.373 1.572 0.628) 1.734 1.490 ( 8.788 7.847 0.556) 11.795 1.555 ( 3.978 -1.355 0.056) 4.203 1.712 ( -2.673 -1.096 0.147) 2.892 1.785 ( -4.703 0.460 -1.527) 4.966 1.943 ( 2.922 7.412 -0.921) 8.021 2.019 ( -0.926 6.084 1.805) 6.414 2.175 ( 1.222 -1.442 1.017) 2.147 2.248 ( 5.730 5.824 -3.508) 8.891 2.643 ( -2.013 9.531 -1.302) 9.828 2.711 ( -1.777 1.752 0.347) 2.519 2.760 ( -9.095 13.083 3.825) 16.387 3.129 ( -0.322 4.489 0.744) 4.562 3.242 ( 0.508 3.476 1.238) 3.724 3.317 ( 5.180 -1.890 -0.898) 5.587 3.586 ( 1.199 -2.391 0.515) 2.724 3.666 ( -1.980 7.877 -0.953) 8.178 4.489 ( 5.123 -10.291 -1.019) 11.541 4.639 ( -0.098 -12.294 -0.045) 12.295 5.357 ( -7.500 -7.016 2.073) 10.477 5.655 ( 0.265 -5.062 -2.721) 5.753 6.310 ( 3.347 2.670 1.906) 4.686 6.420 ( 1.458 1.305 -1.583) 2.517 6.603 ( -2.561 0.611 0.999) 2.816 6.699 ( -0.279 2.033 -0.456) 2.102 7.330 ( -0.021 1.091 0.063) 1.093 7.433 ( 0.517 2.730 0.111) 2.781 7.537 ( 0.065 -0.898 0.158) 0.915 7.573 ( 0.358 0.445 -0.043) 0.572 7.790 ( 0.137 -0.161 0.134) 0.250 7.891 ( 0.461 2.636 -0.003) 2.676 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( -0.000 11.025 -0.000) 11.025 0.917 ( 0.000 -2.438 0.000) 2.438 0.969 ( -0.000 13.065 -0.000) 13.065 1.218 ( -0.000 6.992 -0.000) 6.992 1.261 ( -0.000 1.757 -0.000) 1.757 1.355 ( -0.000 2.984 -0.000) 2.984 1.506 ( -0.000 5.311 -0.000) 5.311 1.540 ( -0.000 12.601 -0.000) 12.601 1.690 ( 0.000 -2.338 0.000) 2.338 1.717 ( 0.000 -1.512 0.000) 1.512 1.870 ( -0.000 6.890 -0.000) 6.890 1.918 ( -0.000 5.725 -0.000) 5.725 2.218 ( 0.000 -2.689 0.000) 2.689 2.233 ( -0.000 4.852 -0.000) 4.852 2.346 ( -0.000 18.973 -0.000) 18.973 2.650 ( -0.000 2.301 -0.000) 2.301 2.674 ( -0.000 1.690 -0.000) 1.690 3.063 ( -0.000 4.664 -0.000) 4.664 3.203 ( -0.000 4.112 -0.000) 4.112 3.366 ( 0.000 -0.224 0.000) 0.224 3.530 ( -0.000 8.361 -0.000) 8.361 3.631 ( 0.000 -2.230 0.000) 2.230 4.618 ( 0.000 -6.148 0.000) 6.148 4.861 ( 0.000 -16.278 0.000) 16.278 5.393 ( 0.000 -7.134 0.000) 7.134 5.730 ( 0.000 -6.610 0.000) 6.610 6.318 ( -0.000 1.781 -0.000) 1.781 6.389 ( -0.000 3.172 -0.000) 3.172 6.584 ( -0.000 0.123 -0.000) 0.123 6.656 ( -0.000 3.587 -0.000) 3.587 7.317 ( -0.000 0.785 -0.000) 0.785 7.400 ( -0.000 2.814 -0.000) 2.814 7.548 ( 0.000 -0.636 0.000) 0.636 7.567 ( -0.000 0.832 -0.000) 0.832 7.794 ( 0.000 -0.221 0.000) 0.221 7.854 ( -0.000 3.226 -0.000) 3.226 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -3.547 0.000 0.807) 3.638 1.119 ( -2.701 0.000 -0.358) 2.725 1.167 ( 2.054 -0.000 0.582) 2.135 1.320 ( -0.078 0.000 1.165) 1.168 1.357 ( 3.569 -0.000 1.163) 3.753 1.463 ( -3.369 0.000 -1.385) 3.643 1.545 ( -3.200 0.000 0.464) 3.234 1.579 ( 9.340 -0.000 3.197) 9.872 1.730 ( -3.209 0.000 -0.242) 3.218 1.742 ( 1.661 -0.000 2.164) 2.728 2.006 ( 7.546 -0.000 0.659) 7.575 2.155 ( 1.102 -0.000 -2.227) 2.484 2.155 ( 1.651 -0.000 1.625) 2.316 2.303 ( 9.697 -0.000 -7.653) 12.353 2.736 ( -0.309 0.000 0.174) 0.355 2.755 ( 2.465 -0.000 0.121) 2.468 3.040 ( 11.373 -0.000 1.808) 11.516 3.158 ( 3.337 -0.000 -1.856) 3.819 3.200 ( 4.639 -0.000 0.458) 4.662 3.302 ( 6.769 -0.000 1.540) 6.942 3.853 ( 2.608 -0.000 0.947) 2.774 3.857 ( -3.767 0.000 -1.819) 4.183 3.921 ( -11.000 0.000 5.405) 12.256 4.523 ( -6.746 0.000 -3.082) 7.417 5.345 ( -12.351 0.000 1.927) 12.500 5.558 ( 0.063 -0.000 -4.146) 4.147 6.356 ( -0.210 0.000 4.386) 4.391 6.366 ( 6.342 -0.000 -2.396) 6.780 6.665 ( -3.397 0.000 0.298) 3.410 6.723 ( 1.900 -0.000 -1.185) 2.239 7.359 ( 0.478 -0.000 0.052) 0.481 7.478 ( 2.222 -0.000 0.302) 2.243 7.507 ( 0.154 -0.000 0.361) 0.393 7.572 ( -0.131 0.000 0.332) 0.357 7.785 ( -0.036 0.000 0.613) 0.614 7.924 ( 2.174 -0.000 -0.215) 2.184 ======================= Grid point 29 (19/114) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -2.805 -0.194 0.081) 2.813 1.040 ( -1.270 4.246 -0.498) 4.460 1.225 ( 0.798 -2.896 0.307) 3.020 1.300 ( -0.796 2.826 0.554) 2.988 1.394 ( -0.991 1.559 1.504) 2.382 1.415 ( 0.470 1.339 -1.399) 1.993 1.511 ( -1.042 -1.703 0.474) 2.052 1.664 ( 2.947 3.456 1.109) 4.675 1.694 ( 0.224 0.182 2.516) 2.533 1.771 ( 0.327 -0.877 -1.358) 1.649 2.084 ( 4.808 2.884 0.033) 5.606 2.152 ( 0.433 3.048 1.400) 3.382 2.161 ( 0.489 0.081 -1.092) 1.199 2.387 ( 6.661 3.702 -4.699) 8.953 2.725 ( 0.138 1.356 -0.209) 1.379 2.747 ( -1.351 0.760 -0.107) 1.554 3.153 ( 1.335 7.053 -0.866) 7.231 3.213 ( 4.434 0.473 1.831) 4.820 3.259 ( 5.653 -0.600 -0.170) 5.687 3.372 ( 1.837 5.920 2.563) 6.708 3.587 ( -5.605 6.738 0.656) 8.789 3.840 ( -0.725 4.244 -0.221) 4.311 4.072 ( 0.578 -18.099 0.665) 18.121 4.459 ( -3.165 -3.152 -1.770) 4.805 5.217 ( -7.632 -3.035 1.443) 8.339 5.562 ( 0.111 -1.846 -2.472) 3.087 6.359 ( 0.498 0.985 2.507) 2.739 6.442 ( 4.446 0.406 -2.012) 4.897 6.611 ( -3.565 0.125 0.923) 3.685 6.736 ( 0.732 0.690 -0.703) 1.227 7.359 ( 0.205 0.777 0.029) 0.804 7.494 ( 1.055 1.541 0.167) 1.875 7.514 ( 0.093 -0.616 0.235) 0.666 7.573 ( 0.087 -0.264 0.106) 0.298 7.787 ( 0.054 -0.051 0.316) 0.325 7.942 ( 1.110 1.046 -0.082) 1.527 ======================= Grid point 30 (20/114) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 -1.279 0.000) 1.279 0.971 ( -0.000 5.380 -0.000) 5.380 1.227 ( -0.000 6.493 -0.000) 6.493 1.263 ( 0.000 -1.603 0.000) 1.603 1.348 ( -0.000 3.172 -0.000) 3.172 1.394 ( -0.000 1.595 -0.000) 1.595 1.562 ( 0.000 -4.053 0.000) 4.053 1.623 ( -0.000 3.129 -0.000) 3.129 1.719 ( -0.000 1.519 -0.000) 1.519 1.748 ( -0.000 2.091 -0.000) 2.091 2.069 ( -0.000 6.007 -0.000) 6.007 2.088 ( -0.000 5.875 -0.000) 5.875 2.169 ( 0.000 -0.798 0.000) 0.798 2.374 ( -0.000 5.381 -0.000) 5.381 2.706 ( -0.000 1.857 -0.000) 1.857 2.720 ( -0.000 1.527 -0.000) 1.527 2.933 ( -0.000 22.540 -0.000) 22.540 3.186 ( -0.000 4.347 -0.000) 4.347 3.293 ( -0.000 3.754 -0.000) 3.754 3.336 ( 0.000 -1.913 0.000) 1.913 3.572 ( 0.000 -2.025 0.000) 2.025 3.751 ( -0.000 7.465 -0.000) 7.465 4.336 ( 0.000 -18.829 0.000) 18.829 4.500 ( 0.000 -6.788 0.000) 6.788 5.217 ( 0.000 -5.536 0.000) 5.536 5.595 ( 0.000 -3.575 0.000) 3.575 6.356 ( -0.000 1.006 -0.000) 1.006 6.460 ( -0.000 2.013 -0.000) 2.013 6.581 ( 0.000 -0.217 0.000) 0.217 6.724 ( -0.000 1.653 -0.000) 1.653 7.347 ( -0.000 1.220 -0.000) 1.220 7.473 ( -0.000 2.548 -0.000) 2.548 7.526 ( 0.000 -0.904 0.000) 0.904 7.578 ( 0.000 -0.070 0.000) 0.070 7.789 ( 0.000 -0.121 0.000) 0.121 7.928 ( -0.000 2.154 -0.000) 2.154 ======================= Grid point 38 (21/114) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 -0.000 0.000) 0.000 1.051 ( 0.000 -0.000 0.000) 0.000 1.218 ( 0.000 -0.000 0.000) 0.000 1.316 ( 0.000 -0.000 0.000) 0.000 1.390 ( 0.000 -0.000 0.000) 0.000 1.447 ( 0.000 -0.000 0.000) 0.000 1.473 ( -0.000 0.000 -0.000) 0.000 1.667 ( 0.000 -0.000 0.000) 0.000 1.744 ( 0.000 -0.000 0.000) 0.000 1.766 ( 0.000 -0.000 0.000) 0.000 2.148 ( 0.000 -0.000 0.000) 0.000 2.162 ( 0.000 -0.000 0.000) 0.000 2.173 ( 0.000 -0.000 0.000) 0.000 2.457 ( 0.000 -0.000 0.000) 0.000 2.737 ( 0.000 -0.000 0.000) 0.000 2.740 ( 0.000 -0.000 0.000) 0.000 3.206 ( 0.000 -0.000 0.000) 0.000 3.264 ( 0.000 -0.000 0.000) 0.000 3.299 ( 0.000 -0.000 0.000) 0.000 3.517 ( 0.000 -0.000 0.000) 0.000 3.542 ( 0.000 -0.000 0.000) 0.000 3.886 ( 0.000 -0.000 0.000) 0.000 3.894 ( -0.000 0.000 -0.000) 0.000 4.409 ( 0.000 -0.000 0.000) 0.000 5.139 ( 0.000 -0.000 0.000) 0.000 5.548 ( 0.000 -0.000 0.000) 0.000 6.369 ( 0.000 -0.000 0.000) 0.000 6.487 ( 0.000 -0.000 0.000) 0.000 6.577 ( 0.000 -0.000 0.000) 0.000 6.745 ( 0.000 -0.000 0.000) 0.000 7.366 ( 0.000 -0.000 0.000) 0.000 7.511 ( 0.000 -0.000 0.000) 0.000 7.514 ( 0.000 -0.000 0.000) 0.000 7.571 ( -0.000 0.000 -0.000) 0.000 7.788 ( 0.000 -0.000 0.000) 0.000 7.958 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -1.612 0.000 15.515) 15.598 0.370 ( -6.357 0.000 16.787) 17.950 0.650 ( -2.790 0.000 28.124) 28.262 0.864 ( 2.838 -0.000 2.401) 3.717 1.173 ( -0.306 0.000 0.435) 0.532 1.222 ( -0.681 0.000 -1.967) 2.081 1.352 ( -2.752 0.000 0.597) 2.816 1.396 ( -0.872 0.000 1.043) 1.359 1.615 ( -1.687 0.000 -3.195) 3.613 1.679 ( 3.808 -0.000 -0.810) 3.893 1.786 ( 0.458 -0.000 3.706) 3.734 1.857 ( -0.764 0.000 -3.656) 3.735 2.051 ( 1.467 -0.000 -4.692) 4.916 2.094 ( -1.443 0.000 3.338) 3.637 2.371 ( -0.103 0.000 -1.593) 1.597 2.581 ( 1.224 -0.000 -2.834) 3.087 2.605 ( 12.863 -0.000 0.676) 12.880 2.695 ( -2.416 0.000 1.518) 2.854 2.929 ( 0.255 -0.000 0.075) 0.265 3.160 ( 1.116 -0.000 -4.269) 4.412 3.483 ( 3.667 -0.000 0.626) 3.720 3.653 ( -2.706 0.000 -3.213) 4.201 4.817 ( -0.220 0.000 3.362) 3.369 5.306 ( -0.412 0.000 -4.075) 4.096 5.725 ( -0.056 0.000 1.537) 1.538 5.967 ( 8.355 -0.000 -3.193) 8.944 6.159 ( -10.754 0.000 2.593) 11.063 6.343 ( -1.089 0.000 -0.730) 1.311 6.443 ( 3.605 -0.000 1.281) 3.826 6.556 ( -2.106 0.000 -0.636) 2.199 7.326 ( -0.022 0.000 1.176) 1.176 7.357 ( -1.048 0.000 1.961) 2.223 7.513 ( 0.360 -0.000 -1.038) 1.098 7.536 ( 0.524 -0.000 -1.083) 1.203 7.748 ( -0.456 0.000 0.173) 0.487 7.796 ( 0.372 -0.000 -0.546) 0.661 ======================= Grid point 68 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 3.357 -6.993 11.933) 14.233 0.594 ( 14.785 -9.315 7.807) 19.139 0.821 ( 6.734 -6.972 16.474) 19.114 1.016 ( 8.995 -4.676 2.669) 10.484 1.134 ( -0.391 3.564 1.928) 4.071 1.203 ( -1.380 -1.497 1.464) 2.508 1.368 ( 2.590 -1.650 0.709) 3.152 1.413 ( 2.406 -1.445 0.906) 2.950 1.606 ( -2.475 -5.409 -2.324) 6.386 1.732 ( 1.877 -0.422 0.570) 2.007 1.768 ( -0.858 -1.234 1.539) 2.151 1.874 ( 1.291 -2.412 -2.436) 3.663 1.954 ( -1.284 6.527 0.665) 6.685 2.138 ( -0.197 -5.015 1.746) 5.314 2.337 ( -1.573 2.824 -0.684) 3.304 2.609 ( 2.730 -0.517 -2.869) 3.994 2.670 ( 5.383 3.029 0.718) 6.219 2.885 ( 8.180 -6.152 -6.155) 11.943 2.950 ( 1.242 -1.442 0.096) 1.906 3.180 ( -1.454 -4.165 -3.923) 5.903 3.522 ( 3.697 1.634 1.733) 4.398 3.625 ( 0.144 -0.791 -5.006) 5.070 4.787 ( -3.913 1.677 3.243) 5.352 5.194 ( -7.692 4.843 -3.792) 9.848 5.710 ( 3.301 5.059 1.463) 6.216 5.972 ( -7.087 0.960 2.426) 7.552 6.120 ( 3.349 -1.112 -4.310) 5.571 6.318 ( -2.729 -1.801 0.633) 3.331 6.511 ( 1.970 -1.530 1.891) 3.130 6.579 ( 4.004 -1.409 -1.198) 4.410 7.331 ( 0.121 0.081 1.461) 1.469 7.352 ( -0.343 -0.328 1.941) 1.998 7.515 ( -0.136 -0.612 -1.217) 1.369 7.546 ( 0.904 -0.074 -0.805) 1.213 7.756 ( 0.501 -1.086 -0.149) 1.206 7.799 ( 0.222 0.060 -0.274) 0.357 ======================= Grid point 69 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 3.569 -4.754 9.488) 11.196 0.866 ( 3.605 -4.627 12.525) 13.830 1.016 ( 5.655 -0.351 -1.843) 5.958 1.156 ( 9.392 -1.731 2.825) 9.959 1.193 ( 5.251 -2.454 -1.332) 5.947 1.225 ( 0.014 -2.701 2.695) 3.815 1.380 ( -0.380 0.294 0.341) 0.589 1.532 ( 3.031 -4.521 -1.243) 5.583 1.663 ( -0.165 -4.620 -0.069) 4.623 1.739 ( -2.818 0.080 0.549) 2.872 1.831 ( 5.349 -1.675 -2.886) 6.304 1.882 ( 2.670 1.917 0.087) 3.288 1.995 ( 3.239 -10.246 4.847) 11.788 2.234 ( 3.973 -6.541 0.681) 7.683 2.254 ( -2.876 3.982 0.968) 5.006 2.651 ( 2.607 -1.097 -1.951) 3.436 2.740 ( 7.205 2.015 -0.023) 7.481 2.986 ( 1.368 -2.321 -1.176) 2.940 3.023 ( 2.886 -4.048 -2.888) 5.749 3.203 ( -1.955 -5.425 -2.459) 6.270 3.561 ( 3.046 1.203 -0.714) 3.352 3.650 ( 3.447 -0.168 -2.428) 4.220 4.681 ( -6.562 3.529 3.112) 8.075 4.964 ( -9.732 7.634 -3.120) 12.756 5.700 ( 4.132 5.769 -0.477) 7.112 5.868 ( -5.900 -0.419 2.467) 6.408 6.133 ( -0.331 1.682 -1.202) 2.093 6.318 ( -1.875 -3.488 -1.229) 4.147 6.572 ( 3.472 -1.421 1.094) 3.908 6.657 ( 3.145 -1.453 -0.553) 3.509 7.336 ( 0.298 0.301 1.530) 1.587 7.365 ( 0.141 -0.874 1.434) 1.685 7.519 ( -0.212 -0.885 -1.215) 1.518 7.555 ( 0.672 0.366 -0.783) 1.095 7.784 ( 0.753 -1.182 -0.412) 1.461 7.802 ( 0.398 -0.341 -0.049) 0.527 ======================= Grid point 70 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 0.065 -1.295 9.563) 9.651 0.893 ( -1.988 2.644 6.111) 6.949 1.079 ( 1.410 -0.772 1.702) 2.341 1.239 ( 0.332 -0.739 -0.832) 1.161 1.291 ( 4.045 -4.021 0.370) 5.715 1.331 ( 3.874 -0.336 0.719) 3.955 1.407 ( 4.062 -1.521 1.428) 4.566 1.562 ( -0.542 1.519 -1.060) 1.930 1.678 ( -2.715 -1.648 0.992) 3.327 1.734 ( 0.117 -3.643 -1.162) 3.826 1.892 ( 2.584 -0.136 -2.854) 3.852 1.918 ( 2.640 0.035 -0.245) 2.651 2.124 ( 0.280 2.359 0.923) 2.549 2.190 ( -1.587 -2.180 2.748) 3.850 2.517 ( 11.689 -14.592 -0.379) 18.700 2.701 ( 2.218 -1.653 -1.298) 3.055 2.815 ( 5.883 1.023 0.629) 6.004 3.023 ( 0.825 -1.314 -0.849) 1.768 3.067 ( -2.003 -1.701 -1.507) 3.029 3.263 ( 1.620 -4.304 -1.037) 4.714 3.578 ( 1.862 0.330 -3.118) 3.646 3.685 ( 2.131 2.341 0.940) 3.302 4.521 ( -8.957 4.888 4.108) 11.000 4.743 ( -4.741 4.844 -4.286) 8.019 5.679 ( 0.286 1.623 -0.553) 1.738 5.831 ( 1.037 1.897 1.053) 2.405 6.082 ( -4.665 -0.464 0.993) 4.792 6.335 ( 0.804 -0.780 -1.855) 2.167 6.648 ( 2.913 -1.801 1.020) 3.574 6.697 ( 0.927 -0.366 -0.454) 1.095 7.341 ( 0.209 0.138 1.429) 1.451 7.381 ( 0.230 -0.516 1.025) 1.171 7.525 ( -0.034 -0.848 -1.108) 1.396 7.551 ( 0.271 0.882 -0.942) 1.318 7.790 ( -0.040 0.283 0.153) 0.324 7.828 ( 0.914 -1.308 -0.592) 1.702 ======================= Grid point 71 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( -1.933 0.969 9.776) 10.012 0.840 ( -3.051 1.100 4.443) 5.501 1.081 ( -1.712 -0.151 0.822) 1.905 1.230 ( -0.727 1.328 -1.098) 1.870 1.339 ( -1.891 -0.110 -1.241) 2.265 1.390 ( 2.001 -2.235 1.249) 3.250 1.469 ( 1.337 0.792 2.524) 2.964 1.524 ( -0.400 1.541 0.585) 1.696 1.671 ( -1.229 -1.347 0.062) 1.824 1.758 ( -0.716 0.012 -1.840) 1.974 1.902 ( -0.030 0.664 -0.714) 0.975 1.954 ( 2.078 -0.589 -0.495) 2.216 2.064 ( 1.091 5.145 -2.559) 5.849 2.211 ( -1.543 -1.935 2.405) 3.451 2.716 ( -0.187 -2.016 -1.444) 2.487 2.769 ( 2.069 -1.643 0.571) 2.704 2.950 ( 6.423 -3.396 -1.290) 7.379 2.978 ( -6.112 3.729 0.357) 7.168 3.050 ( 1.624 -1.248 0.521) 2.114 3.301 ( -0.213 2.080 -1.484) 2.564 3.592 ( 1.333 1.317 -2.887) 3.442 3.668 ( -1.136 -1.421 2.101) 2.779 4.365 ( -2.704 3.276 2.319) 4.840 4.705 ( 1.916 -2.759 -2.977) 4.488 5.676 ( -1.549 -2.872 0.221) 3.270 5.841 ( 3.833 2.786 0.138) 4.741 6.025 ( -4.576 -1.297 0.931) 4.846 6.352 ( 2.485 1.188 -1.499) 3.135 6.676 ( -2.005 0.281 0.839) 2.191 6.716 ( 1.562 -0.886 -0.140) 1.801 7.345 ( -0.191 -0.029 1.439) 1.452 7.387 ( -0.057 0.329 0.807) 0.874 7.533 ( 0.313 -0.129 -0.933) 0.993 7.537 ( 0.057 0.615 -1.304) 1.443 7.785 ( 0.013 0.396 0.124) 0.415 7.846 ( 0.196 -0.310 -0.536) 0.650 ======================= Grid point 72 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -4.329 1.289 8.997) 10.067 0.781 ( -4.516 2.767 4.526) 6.967 1.065 ( -1.922 -2.019 1.496) 3.163 1.181 ( -1.314 2.680 -1.436) 3.312 1.259 ( -7.098 1.592 -1.561) 7.440 1.404 ( -0.749 1.032 1.455) 1.935 1.452 ( -2.173 1.081 1.938) 3.106 1.530 ( 0.579 -1.334 0.413) 1.512 1.672 ( -1.658 0.889 -2.064) 2.792 1.691 ( -0.785 4.300 -0.337) 4.384 1.868 ( -1.900 2.470 -0.010) 3.117 1.988 ( 2.515 1.752 0.285) 3.079 2.023 ( 0.243 0.674 -3.118) 3.199 2.214 ( -0.343 -0.432 1.435) 1.537 2.595 ( -11.460 11.923 2.035) 16.663 2.775 ( -2.167 -0.308 1.164) 2.479 2.795 ( -4.948 2.243 1.218) 5.567 3.010 ( 0.899 1.442 -2.428) 2.963 3.140 ( 4.899 0.263 0.814) 4.973 3.188 ( -4.151 5.707 -4.424) 8.329 3.553 ( -2.448 1.974 -2.052) 3.755 3.712 ( -1.504 -4.975 1.341) 5.368 4.420 ( 8.941 -2.979 0.152) 9.426 4.820 ( 5.097 -6.647 -1.007) 8.437 5.710 ( -0.328 -4.249 -0.002) 4.262 5.853 ( -2.931 -1.917 2.355) 4.220 6.007 ( 3.200 0.994 -1.569) 3.700 6.370 ( 3.483 2.273 -0.864) 4.247 6.612 ( -4.466 1.975 0.136) 4.885 6.736 ( -0.611 -0.663 0.497) 1.029 7.344 ( -0.584 -0.037 1.586) 1.690 7.375 ( -0.550 0.978 0.888) 1.431 7.521 ( 0.457 1.228 -1.268) 1.824 7.542 ( 0.260 -0.452 -1.199) 1.308 7.783 ( 0.246 0.281 -0.153) 0.404 7.838 ( -0.688 0.817 -0.245) 1.096 ======================= Grid point 73 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -10.887 1.907 8.609) 14.010 0.652 ( -5.879 7.815 8.737) 13.113 1.074 ( -4.227 -0.069 2.035) 4.692 1.091 ( -8.957 1.044 1.142) 9.090 1.138 ( 0.558 1.336 -3.217) 3.527 1.365 ( -3.611 4.068 2.430) 5.958 1.412 ( -3.587 -0.295 2.702) 4.500 1.459 ( -5.485 5.835 1.964) 8.246 1.618 ( 1.040 -1.591 -3.597) 4.068 1.697 ( 2.683 1.726 -1.107) 3.377 1.769 ( -3.941 5.316 0.356) 6.627 1.966 ( 0.569 3.251 0.322) 3.316 2.030 ( -1.540 -0.219 -0.105) 1.559 2.232 ( -2.039 6.329 2.151) 6.989 2.245 ( -4.617 5.145 0.610) 6.940 2.710 ( -4.438 2.117 0.707) 4.967 2.733 ( -5.262 -1.580 -0.446) 5.512 2.979 ( -0.666 2.244 -2.660) 3.543 3.018 ( -4.418 6.045 -4.668) 8.823 3.202 ( 5.207 3.272 -2.527) 6.649 3.465 ( -4.426 1.724 -0.353) 4.763 3.734 ( -2.849 -2.803 0.231) 4.003 4.627 ( 9.883 -3.831 0.933) 10.641 5.007 ( 7.479 -7.656 -1.227) 10.773 5.770 ( 2.118 -2.177 -1.689) 3.475 5.814 ( -7.892 -4.505 4.349) 10.075 6.092 ( 8.259 -0.997 -2.170) 8.598 6.389 ( 3.269 2.618 0.176) 4.192 6.500 ( -5.464 3.252 -0.691) 6.396 6.713 ( -3.309 -0.032 0.405) 3.333 7.337 ( -0.571 0.491 1.339) 1.537 7.358 ( -0.802 0.288 1.678) 1.881 7.512 ( 0.814 1.026 -1.304) 1.848 7.545 ( 0.093 -0.028 -1.259) 1.262 7.784 ( 0.377 0.124 -0.411) 0.572 7.807 ( -1.223 1.400 0.054) 1.860 ======================= Grid point 74 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -11.567 0.015 14.012) 18.170 0.466 ( -7.941 6.851 13.471) 17.072 0.868 ( -11.920 10.698 11.403) 19.662 0.949 ( -10.318 6.928 0.407) 12.434 1.144 ( -0.541 -3.235 2.310) 4.012 1.220 ( -1.422 1.550 4.211) 4.707 1.379 ( -0.649 0.888 2.626) 2.847 1.410 ( -3.007 -1.119 1.074) 3.383 1.628 ( 2.323 2.920 -2.215) 4.339 1.665 ( 1.147 1.420 -1.488) 2.355 1.738 ( 2.129 0.565 -0.383) 2.235 1.919 ( -3.265 3.876 -1.087) 5.183 1.970 ( 0.924 -0.925 -0.787) 1.526 2.114 ( -0.930 1.651 3.731) 4.185 2.309 ( 4.145 -2.066 -1.355) 4.826 2.621 ( -2.736 2.502 -0.466) 3.737 2.654 ( -8.212 -1.729 -3.305) 9.020 2.834 ( -5.338 7.995 -6.646) 11.686 2.943 ( -0.799 1.482 -0.036) 1.684 3.188 ( 2.880 5.736 -5.244) 8.289 3.426 ( 0.446 -0.701 3.270) 3.374 3.706 ( -3.594 -0.748 -1.254) 3.879 4.774 ( 4.515 -1.164 2.363) 5.228 5.213 ( 7.979 -5.382 -2.589) 9.967 5.736 ( -7.450 -3.587 3.998) 9.185 5.863 ( 6.652 0.075 -2.504) 7.109 6.234 ( 3.408 -4.958 0.186) 6.020 6.347 ( -5.213 2.206 -0.295) 5.668 6.424 ( 4.176 4.308 -1.393) 6.160 6.639 ( -6.129 0.535 -0.338) 6.161 7.327 ( -0.172 0.453 1.090) 1.193 7.357 ( -0.673 -0.667 2.412) 2.591 7.510 ( 0.912 0.643 -1.161) 1.610 7.539 ( -0.028 0.276 -1.289) 1.318 7.768 ( -1.212 1.055 0.263) 1.628 7.791 ( 0.458 0.053 -0.609) 0.764 ======================= Grid point 76 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 16.069 -0.000 5.333) 16.931 0.766 ( 11.290 -0.000 10.770) 15.603 0.992 ( 13.220 -0.000 5.635) 14.371 1.143 ( 7.736 -0.000 3.167) 8.359 1.164 ( 1.981 -0.000 1.776) 2.661 1.174 ( -0.157 0.000 2.643) 2.647 1.449 ( 7.892 -0.000 0.871) 7.940 1.464 ( 4.937 -0.000 0.380) 4.952 1.509 ( -1.879 0.000 -2.869) 3.430 1.732 ( -1.360 0.000 4.949) 5.132 1.743 ( -0.116 0.000 -0.402) 0.419 1.887 ( 3.046 -0.000 -4.702) 5.602 2.034 ( 1.671 -0.000 2.028) 2.628 2.075 ( 0.199 -0.000 3.308) 3.314 2.323 ( -2.462 0.000 0.642) 2.544 2.638 ( 2.854 -0.000 -2.204) 3.606 2.797 ( 8.177 -0.000 -0.460) 8.190 2.935 ( 4.425 -0.000 -4.587) 6.374 2.965 ( 2.082 -0.000 -0.308) 2.104 3.115 ( -2.164 0.000 -3.106) 3.785 3.608 ( 5.144 -0.000 2.338) 5.651 3.618 ( 2.651 -0.000 -7.384) 7.845 4.728 ( -6.891 0.000 4.113) 8.025 5.075 ( -10.555 0.000 -4.591) 11.510 5.812 ( 4.960 -0.000 0.690) 5.008 5.813 ( -11.003 0.000 2.841) 11.364 6.211 ( -7.866 0.000 -0.068) 7.866 6.227 ( 7.861 -0.000 -4.069) 8.852 6.553 ( 2.770 -0.000 3.547) 4.501 6.634 ( 4.763 -0.000 -2.068) 5.192 7.342 ( 0.331 -0.000 1.578) 1.613 7.354 ( 0.529 -0.000 1.700) 1.780 7.504 ( -0.213 0.000 -1.177) 1.196 7.559 ( 0.974 -0.000 -0.557) 1.122 7.764 ( 1.509 -0.000 -0.470) 1.580 7.801 ( 0.101 -0.000 0.035) 0.107 ======================= Grid point 77 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 14.305 6.143 3.553) 15.968 0.950 ( 6.822 -0.878 10.000) 12.137 1.086 ( 1.735 3.058 0.304) 3.529 1.193 ( 0.422 -1.820 2.386) 3.031 1.228 ( 4.463 -1.898 -0.395) 4.866 1.295 ( 6.913 -2.052 2.756) 7.720 1.435 ( 3.347 5.245 -0.706) 6.262 1.548 ( 3.824 -1.092 -3.386) 5.223 1.621 ( 4.224 -4.226 -0.038) 5.975 1.705 ( -2.457 1.623 0.790) 3.048 1.855 ( 5.633 -7.327 -1.940) 9.444 1.921 ( 1.552 -1.532 -3.228) 3.896 2.023 ( 4.974 3.229 7.739) 9.750 2.195 ( 2.423 -7.191 4.514) 8.829 2.291 ( 2.940 2.002 0.647) 3.615 2.678 ( 2.744 -0.325 -1.654) 3.220 2.888 ( 6.453 3.848 -0.639) 7.540 2.991 ( 2.704 -1.940 -1.639) 3.709 3.011 ( 2.350 -1.692 -0.663) 2.971 3.111 ( -0.186 -4.677 -2.227) 5.184 3.631 ( 4.281 2.465 -5.713) 7.552 3.704 ( 4.886 -0.844 0.304) 4.967 4.604 ( -9.857 1.680 4.822) 11.101 4.873 ( -10.714 3.425 -4.871) 12.258 5.676 ( -8.244 -0.833 0.902) 8.335 5.863 ( 0.719 0.420 1.225) 1.481 6.098 ( -4.274 1.010 -0.644) 4.439 6.321 ( 5.106 -0.257 -2.354) 5.629 6.608 ( 2.614 -0.949 2.716) 3.888 6.688 ( 2.621 -0.249 -1.424) 2.993 7.347 ( 0.093 0.187 1.388) 1.404 7.377 ( 1.648 0.041 1.430) 2.183 7.503 ( -0.060 -0.590 -1.092) 1.243 7.567 ( 0.573 0.326 -0.557) 0.863 7.792 ( 1.626 -0.171 -0.550) 1.725 7.804 ( 0.528 -0.335 0.115) 0.636 ======================= Grid point 78 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 6.143 7.460 2.684) 10.030 0.998 ( 6.449 10.600 7.202) 14.346 1.074 ( -1.331 -0.338 0.957) 1.674 1.238 ( 1.358 -0.957 1.115) 2.000 1.290 ( 2.326 -1.468 0.642) 2.825 1.368 ( 1.165 0.080 0.568) 1.298 1.475 ( 3.711 0.008 0.912) 3.822 1.570 ( -0.196 -0.325 -2.225) 2.257 1.643 ( -1.368 1.404 1.832) 2.683 1.745 ( 6.767 -0.794 -1.800) 7.048 1.922 ( 1.666 0.617 -6.178) 6.428 1.947 ( 0.682 -1.073 1.510) 1.974 2.126 ( 1.333 -3.605 4.941) 6.260 2.202 ( -0.200 3.658 1.399) 3.922 2.542 ( 13.840 -9.818 0.685) 16.983 2.712 ( 1.751 -0.543 -0.992) 2.085 2.912 ( 3.770 1.504 0.081) 4.060 3.034 ( -0.268 0.368 -0.841) 0.956 3.045 ( 3.361 0.249 -0.364) 3.390 3.227 ( 4.188 -6.328 -0.410) 7.600 3.635 ( 3.210 3.600 -4.399) 6.529 3.749 ( 1.618 2.854 0.570) 3.330 4.436 ( -10.204 1.768 5.349) 11.656 4.685 ( -6.656 1.205 -5.413) 8.664 5.597 ( -5.297 -2.569 -1.104) 5.989 5.822 ( -8.242 -2.918 3.053) 9.261 6.073 ( 4.553 3.406 -1.976) 6.020 6.377 ( 3.527 0.712 -0.477) 3.630 6.662 ( 1.365 -1.113 1.486) 2.304 6.708 ( 0.537 0.102 -0.742) 0.921 7.348 ( 0.004 0.289 1.215) 1.249 7.403 ( 1.807 0.670 1.104) 2.221 7.511 ( 0.185 -0.879 -0.999) 1.343 7.563 ( 0.158 0.769 -0.766) 1.096 7.796 ( 0.031 0.397 0.450) 0.601 7.836 ( 1.948 -0.463 -0.860) 2.179 ======================= Grid point 79 (33/114) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 0.072 5.685 3.156) 6.502 0.976 ( 10.062 14.658 5.532) 18.620 1.039 ( -3.761 -0.275 0.714) 3.838 1.245 ( 0.606 1.697 -1.558) 2.382 1.303 ( -1.960 1.620 -0.323) 2.563 1.398 ( 1.563 -0.888 1.484) 2.331 1.478 ( -2.599 0.385 1.973) 3.286 1.537 ( -1.265 1.578 0.877) 2.204 1.667 ( 2.435 -0.782 -0.295) 2.575 1.807 ( 4.163 3.408 -1.909) 5.709 1.901 ( -1.060 0.613 -3.261) 3.484 1.982 ( 2.454 -0.027 1.141) 2.706 2.132 ( -1.458 2.981 -0.885) 3.435 2.193 ( 1.640 0.067 2.869) 3.305 2.694 ( -0.416 0.224 -0.948) 1.059 2.767 ( 0.596 -1.503 0.108) 1.621 2.968 ( -3.483 6.264 0.715) 7.203 3.032 ( 8.957 -2.007 -1.868) 9.367 3.091 ( 4.608 -0.262 0.650) 4.661 3.316 ( 0.152 1.218 0.279) 1.258 3.607 ( -0.578 0.952 -0.949) 1.463 3.679 ( -1.751 5.659 -0.356) 5.935 4.355 ( -0.775 -2.271 2.599) 3.537 4.645 ( -1.131 -5.824 -3.659) 6.970 5.581 ( -2.377 -4.549 -2.236) 5.598 5.742 ( -10.840 -5.494 3.642) 12.687 6.107 ( 7.702 4.762 -2.257) 9.332 6.411 ( 2.526 0.982 0.858) 2.843 6.660 ( -1.653 1.333 -0.085) 2.125 6.717 ( -0.012 -0.755 0.370) 0.841 7.346 ( -0.263 0.341 1.281) 1.352 7.414 ( 1.201 1.609 0.884) 2.194 7.524 ( 0.345 -0.876 -1.027) 1.393 7.551 ( 0.226 0.991 -1.076) 1.480 7.792 ( 0.037 0.409 0.390) 0.566 7.857 ( 1.197 0.586 -0.802) 1.556 ======================= Grid point 80 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -0.637 7.628 2.737) 8.129 0.925 ( 5.652 14.328 4.337) 16.002 0.999 ( -3.421 -2.190 1.874) 4.473 1.201 ( -2.008 3.862 -1.817) 4.718 1.221 ( -0.053 5.176 -0.850) 5.246 1.406 ( -0.567 0.833 1.174) 1.547 1.429 ( -3.057 0.959 2.166) 3.868 1.540 ( 1.829 -1.026 0.950) 2.302 1.665 ( -1.849 3.459 -2.770) 4.801 1.785 ( 3.195 5.835 -0.836) 6.705 1.859 ( -2.745 0.743 -0.505) 2.888 2.015 ( 0.639 1.403 1.683) 2.282 2.066 ( 0.788 3.263 -2.358) 4.102 2.221 ( 0.913 -0.475 1.849) 2.117 2.593 ( -7.806 9.501 0.441) 12.304 2.735 ( -3.505 1.780 0.508) 3.964 2.798 ( -4.146 6.515 3.139) 8.336 3.063 ( 2.097 3.889 -2.098) 4.891 3.192 ( -4.021 6.237 -2.456) 7.817 3.237 ( 7.130 -0.027 0.609) 7.156 3.561 ( -2.475 5.475 -2.908) 6.675 3.639 ( -0.812 -3.766 1.426) 4.108 4.485 ( 7.797 -6.589 0.189) 10.210 4.759 ( 2.318 -10.512 -1.462) 10.863 5.633 ( -0.364 -6.865 -1.508) 7.038 5.670 ( -9.456 -5.884 2.390) 11.390 6.160 ( 8.299 4.495 -1.839) 9.616 6.428 ( 0.431 0.809 1.712) 1.942 6.597 ( -1.741 3.339 -1.062) 3.913 6.711 ( -1.977 -0.184 0.663) 2.093 7.339 ( -0.559 0.271 1.538) 1.659 7.401 ( 0.341 2.295 0.867) 2.477 7.535 ( 0.224 -0.579 -1.115) 1.276 7.541 ( 0.702 0.997 -1.339) 1.811 7.790 ( 0.198 0.285 0.085) 0.357 7.850 ( 0.145 1.713 -0.526) 1.798 ======================= Grid point 81 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -0.632 11.270 4.823) 12.275 0.769 ( -1.485 14.922 4.038) 15.530 1.001 ( -2.740 -2.804 2.680) 4.749 1.097 ( -0.065 7.135 1.060) 7.214 1.179 ( 1.956 4.692 -2.575) 5.699 1.364 ( -4.240 4.384 4.098) 7.348 1.402 ( 1.684 1.433 1.249) 2.539 1.497 ( -5.341 8.893 0.586) 10.390 1.610 ( 3.517 -2.379 -2.845) 5.111 1.765 ( 2.185 3.316 -1.333) 4.189 1.785 ( -3.013 3.946 1.551) 5.201 1.951 ( -3.803 0.990 0.096) 3.931 2.080 ( 3.597 4.119 1.016) 5.562 2.235 ( -3.054 1.535 -0.113) 3.419 2.295 ( -4.514 9.790 2.573) 11.084 2.654 ( -3.723 2.069 -0.143) 4.261 2.705 ( -3.278 2.464 1.849) 4.499 3.018 ( -0.171 4.109 -0.246) 4.120 3.039 ( -1.078 7.851 -6.136) 10.022 3.327 ( 6.527 3.010 -2.346) 7.561 3.442 ( -3.632 3.282 -0.153) 4.898 3.665 ( -1.670 -2.260 -0.268) 2.823 4.677 ( 4.712 -5.992 1.367) 7.744 4.969 ( 5.689 -12.384 -2.400) 13.838 5.610 ( -9.118 -6.138 3.914) 11.667 5.755 ( 3.809 -7.089 -3.006) 8.591 6.224 ( 7.327 3.231 -0.693) 8.038 6.389 ( -4.675 1.261 0.599) 4.879 6.545 ( 2.464 4.157 -0.945) 4.924 6.662 ( -4.229 1.024 0.657) 4.400 7.332 ( -0.679 0.066 1.701) 1.832 7.376 ( -0.009 2.109 1.166) 2.409 7.535 ( 0.841 1.011 -1.242) 1.809 7.541 ( 0.096 -0.205 -1.348) 1.367 7.791 ( 0.335 0.145 -0.229) 0.431 7.817 ( -0.607 2.296 -0.195) 2.383 ======================= Grid point 82 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 1.265 10.337 10.768) 14.980 0.585 ( 4.731 15.433 5.021) 16.905 0.955 ( -2.838 8.742 1.025) 9.248 1.026 ( -1.401 14.980 9.657) 17.878 1.080 ( -0.565 -3.095 3.025) 4.365 1.236 ( -1.480 2.709 3.030) 4.325 1.390 ( -1.114 2.600 0.246) 2.839 1.410 ( 2.227 2.885 1.334) 3.881 1.683 ( 4.276 0.073 -2.110) 4.769 1.700 ( -1.130 3.168 0.028) 3.363 1.771 ( 1.506 0.679 -0.848) 1.857 1.911 ( -3.244 -2.808 -0.132) 4.293 1.963 ( -1.877 9.297 0.774) 9.516 2.164 ( 1.609 2.363 2.888) 4.064 2.302 ( 0.554 -3.166 -1.229) 3.441 2.586 ( -0.146 1.983 -0.798) 2.143 2.643 ( -1.375 1.626 0.422) 2.171 2.922 ( 3.245 9.028 -6.692) 11.697 2.969 ( 0.136 3.032 0.009) 3.035 3.280 ( -0.323 6.544 -5.177) 8.350 3.445 ( 2.903 -1.363 2.841) 4.285 3.652 ( -1.677 -0.506 -2.392) 2.965 4.777 ( -0.492 -3.934 2.367) 4.617 5.173 ( 0.600 -9.679 -3.701) 10.380 5.605 ( -2.366 -6.163 3.529) 7.485 5.899 ( 4.244 -6.093 -1.899) 7.665 6.232 ( -4.200 3.671 -1.087) 5.683 6.323 ( 1.799 0.897 -0.147) 2.015 6.542 ( 3.246 4.609 0.359) 5.649 6.573 ( -3.806 1.212 -0.011) 3.995 7.329 ( -0.428 -0.082 1.515) 1.577 7.358 ( -0.127 1.064 1.764) 2.064 7.528 ( 0.357 0.939 -1.212) 1.574 7.541 ( 0.401 0.080 -1.224) 1.291 7.777 ( -0.378 2.103 -0.014) 2.137 7.795 ( 0.247 -0.046 -0.375) 0.451 ======================= Grid point 85 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 1.576 -0.000 5.134) 5.370 1.076 ( 7.001 -0.000 -1.718) 7.209 1.153 ( 1.046 -0.000 2.584) 2.788 1.254 ( 9.156 -0.000 4.751) 10.315 1.266 ( 2.998 -0.000 0.017) 2.998 1.347 ( 3.120 -0.000 2.524) 4.013 1.533 ( -1.483 0.000 -2.025) 2.510 1.543 ( 3.215 -0.000 -3.142) 4.495 1.723 ( 10.897 -0.000 -0.037) 10.897 1.728 ( 1.450 -0.000 0.043) 1.451 1.825 ( 0.556 -0.000 0.638) 0.846 1.926 ( 1.824 -0.000 -6.583) 6.831 2.142 ( 1.939 -0.000 1.937) 2.741 2.171 ( 1.139 -0.000 8.989) 9.061 2.429 ( 13.874 -0.000 2.930) 14.180 2.710 ( 2.182 -0.000 -0.998) 2.400 2.953 ( -0.406 0.000 -1.315) 1.377 3.034 ( 3.196 -0.000 -0.854) 3.309 3.059 ( 4.439 -0.000 -0.055) 4.439 3.101 ( 6.752 -0.000 -0.591) 6.778 3.705 ( 5.422 -0.000 -7.784) 9.486 3.770 ( 4.158 -0.000 1.648) 4.473 4.460 ( -13.020 0.000 6.282) 14.456 4.714 ( -10.826 0.000 -5.938) 12.348 5.561 ( -5.774 0.000 -0.573) 5.802 5.772 ( -11.358 0.000 2.574) 11.647 6.125 ( 5.831 -0.000 -2.572) 6.373 6.387 ( 3.629 -0.000 -0.025) 3.629 6.643 ( 2.121 -0.000 1.789) 2.775 6.709 ( 0.664 -0.000 -0.796) 1.036 7.354 ( 0.217 -0.000 1.107) 1.128 7.413 ( 2.388 -0.000 1.183) 2.665 7.497 ( 0.218 -0.000 -0.952) 0.976 7.574 ( 0.137 -0.000 -0.540) 0.557 7.803 ( -0.129 0.000 0.700) 0.711 7.828 ( 2.913 -0.000 -1.137) 3.127 ======================= Grid point 86 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -2.698 1.922 2.864) 4.379 1.073 ( -0.339 4.790 0.528) 4.831 1.194 ( 1.591 -1.577 -0.599) 2.319 1.311 ( 4.033 2.052 1.924) 4.917 1.346 ( 2.535 0.588 2.031) 3.301 1.437 ( 9.166 4.769 3.527) 10.918 1.489 ( -2.191 0.933 -1.083) 2.616 1.552 ( -0.355 -0.039 -2.339) 2.366 1.698 ( 2.163 4.932 1.834) 5.689 1.856 ( 1.899 -0.686 -0.681) 2.130 1.890 ( 3.643 -2.182 0.629) 4.292 1.953 ( 4.981 -1.442 -7.171) 8.849 2.147 ( 1.113 1.546 3.572) 4.049 2.221 ( 0.066 -1.350 2.180) 2.565 2.668 ( 10.692 -1.767 1.216) 10.905 2.732 ( 1.395 -0.037 -0.354) 1.439 2.969 ( 5.019 -0.958 0.907) 5.189 3.061 ( 2.357 1.296 -1.240) 2.961 3.122 ( 5.014 1.156 -0.068) 5.146 3.248 ( 7.269 -3.300 1.132) 8.063 3.726 ( 2.910 4.794 -4.787) 7.373 3.809 ( 1.315 2.721 0.254) 3.033 4.285 ( -12.169 -2.406 6.453) 13.983 4.554 ( -7.879 -1.227 -6.269) 10.144 5.502 ( -2.868 -1.263 -2.632) 4.092 5.613 ( -13.018 -3.386 3.107) 13.805 6.206 ( 7.350 2.199 -2.394) 8.037 6.426 ( 1.692 0.268 1.959) 2.602 6.675 ( 1.205 -0.023 0.147) 1.214 6.704 ( -0.935 -0.101 0.126) 0.949 7.358 ( 0.197 0.383 0.921) 1.017 7.447 ( 2.236 0.736 0.806) 2.488 7.503 ( 0.380 -0.539 -0.862) 1.085 7.569 ( -0.104 0.353 -0.738) 0.825 7.801 ( -0.171 0.215 0.806) 0.852 7.867 ( 2.726 0.188 -1.264) 3.011 ======================= Grid point 87 (39/114) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -2.078 2.344 3.161) 4.450 0.996 ( -2.115 4.004 0.946) 4.626 1.218 ( 1.542 1.892 -1.676) 2.961 1.282 ( -1.337 4.191 -0.196) 4.403 1.369 ( 1.829 3.559 0.278) 4.011 1.436 ( -2.484 -0.218 1.534) 2.927 1.496 ( 9.055 8.813 2.375) 12.857 1.531 ( -0.766 -0.007 -0.351) 0.843 1.705 ( 1.856 0.745 0.823) 2.162 1.831 ( -4.095 -0.963 -0.975) 4.318 1.949 ( 5.337 4.186 -0.947) 6.849 2.040 ( 5.978 0.069 -2.483) 6.474 2.141 ( -0.326 2.264 1.698) 2.848 2.227 ( 0.588 0.663 -0.003) 0.886 2.703 ( -0.546 2.104 -0.040) 2.175 2.756 ( -0.885 0.179 -0.191) 0.923 3.035 ( 0.315 6.875 0.306) 6.889 3.150 ( 9.125 -0.291 -0.769) 9.162 3.170 ( 5.835 -0.456 1.069) 5.949 3.355 ( 1.771 2.192 2.127) 3.530 3.610 ( -4.580 5.517 1.237) 7.276 3.739 ( -0.729 6.519 -2.909) 7.176 4.282 ( -0.473 -9.432 2.353) 9.732 4.511 ( -2.938 -7.147 -4.446) 8.915 5.470 ( -8.306 -4.959 1.519) 9.792 5.528 ( -3.642 -4.362 -1.751) 5.946 6.271 ( 7.327 3.444 -1.737) 8.280 6.441 ( -0.237 0.277 2.696) 2.720 6.659 ( -1.401 1.406 -0.194) 1.994 6.704 ( -0.263 -0.350 0.029) 0.439 7.354 ( -0.046 0.717 0.976) 1.212 7.459 ( 1.258 1.850 0.602) 2.317 7.515 ( 0.297 -0.804 -0.972) 1.296 7.561 ( 0.273 0.463 -1.022) 1.155 7.797 ( -0.143 0.261 0.652) 0.717 7.889 ( 1.768 1.171 -1.184) 2.429 ======================= Grid point 88 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.825 6.341 3.343) 7.216 0.930 ( -2.592 -1.144 1.572) 3.240 1.126 ( -1.079 10.272 -0.356) 10.335 1.235 ( 0.382 2.864 -2.398) 3.755 1.309 ( -1.917 3.441 -0.113) 3.940 1.415 ( -1.115 0.731 1.392) 1.928 1.513 ( 8.432 7.855 0.997) 11.567 1.557 ( 2.396 -1.171 -1.075) 2.875 1.681 ( -2.270 3.709 -1.134) 4.494 1.786 ( -3.181 -0.964 1.405) 3.608 1.934 ( 3.212 7.008 0.195) 7.712 2.060 ( -1.857 5.429 1.673) 5.977 2.126 ( 4.432 0.425 -2.744) 5.230 2.234 ( 1.552 0.897 -0.310) 1.820 2.627 ( -2.553 7.440 0.073) 7.867 2.715 ( -2.172 1.752 0.106) 2.792 2.858 ( -6.276 12.773 4.708) 14.990 3.140 ( 0.304 4.727 -0.396) 4.753 3.230 ( -2.012 6.872 -0.361) 7.170 3.338 ( 6.230 -1.213 1.723) 6.577 3.583 ( -0.626 0.688 -2.571) 2.734 3.620 ( -0.655 4.835 -1.608) 5.137 4.472 ( 5.144 -10.371 -0.337) 11.582 4.615 ( 0.330 -12.991 -1.995) 13.147 5.421 ( -9.370 -7.530 3.751) 12.592 5.583 ( 2.714 -5.300 -3.767) 7.045 6.325 ( 6.636 3.749 -0.558) 7.642 6.418 ( -2.886 0.919 1.478) 3.370 6.619 ( -1.161 1.410 0.346) 1.859 6.691 ( -0.789 1.163 -0.274) 1.431 7.344 ( -0.328 0.804 1.212) 1.491 7.442 ( 0.261 2.591 0.648) 2.684 7.525 ( 0.092 -0.796 -1.237) 1.474 7.559 ( 0.640 0.619 -1.171) 1.471 7.794 ( -0.068 0.146 0.322) 0.360 7.881 ( 0.626 2.286 -0.932) 2.547 ======================= Grid point 89 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 0.736 9.283 5.082) 10.609 0.938 ( -0.335 -0.243 0.714) 0.825 0.983 ( 2.291 10.090 2.102) 10.559 1.177 ( 0.905 5.526 -2.837) 6.278 1.251 ( -0.532 2.871 -0.418) 2.949 1.387 ( -1.680 2.776 2.016) 3.820 1.498 ( -6.870 6.371 -2.023) 9.586 1.546 ( 6.712 5.545 -0.632) 8.729 1.654 ( 4.649 -1.408 0.493) 4.883 1.757 ( -1.469 1.371 1.313) 2.401 1.875 ( 1.436 7.328 1.061) 7.542 1.944 ( -2.973 5.223 1.622) 6.225 2.169 ( -0.342 -1.733 -1.330) 2.211 2.240 ( 4.132 4.223 -1.497) 6.095 2.397 ( -3.959 16.790 4.521) 17.833 2.656 ( -0.897 2.997 0.163) 3.133 2.694 ( -2.829 2.828 2.098) 4.517 3.070 ( -0.424 4.648 0.653) 4.712 3.132 ( 0.834 6.702 -4.408) 8.065 3.410 ( -1.567 -0.600 2.209) 2.774 3.478 ( 3.639 7.484 -4.420) 9.423 3.625 ( -0.559 -1.285 -0.856) 1.642 4.627 ( 0.325 -7.079 0.785) 7.130 4.831 ( 1.239 -15.758 -2.611) 16.021 5.425 ( -3.943 -7.491 2.670) 8.877 5.712 ( 4.277 -7.019 -1.754) 8.405 6.316 ( -4.748 2.666 0.055) 5.446 6.386 ( 4.687 3.284 -0.308) 5.732 6.589 ( -1.922 0.393 0.568) 2.043 6.655 ( 0.618 3.277 -0.137) 3.338 7.333 ( -0.405 0.569 1.410) 1.574 7.410 ( -0.172 2.520 0.927) 2.690 7.532 ( 0.116 -0.642 -1.421) 1.564 7.554 ( 0.408 0.850 -1.154) 1.491 7.794 ( -0.032 -0.048 0.020) 0.061 7.848 ( 0.002 2.931 -0.610) 2.994 ======================= Grid point 90 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.628 9.767 7.386) 12.261 0.892 ( 6.939 11.476 3.616) 13.890 0.996 ( -1.531 -2.437 2.135) 3.583 1.090 ( 2.072 9.589 1.598) 9.940 1.189 ( 0.939 4.624 -0.954) 4.814 1.266 ( -2.099 3.659 3.046) 5.203 1.403 ( -0.901 1.607 0.214) 1.854 1.556 ( 4.006 5.466 -0.396) 6.788 1.716 ( -0.726 2.168 0.180) 2.293 1.746 ( 3.759 -0.603 -1.932) 4.269 1.811 ( 0.748 4.034 2.295) 4.701 1.866 ( -0.587 2.535 -0.743) 2.706 2.100 ( -0.873 9.516 2.870) 9.977 2.247 ( 5.568 5.510 -0.078) 7.834 2.251 ( -2.548 -0.074 1.148) 2.796 2.641 ( 2.917 2.064 -0.802) 3.662 2.658 ( 1.614 1.293 0.154) 2.074 3.018 ( 0.295 3.634 0.034) 3.646 3.054 ( 2.453 6.094 -4.671) 8.060 3.316 ( -3.250 4.628 -2.446) 6.161 3.507 ( 4.528 1.499 1.374) 4.964 3.626 ( 0.170 -0.835 -2.648) 2.782 4.689 ( -3.256 -5.363 1.732) 6.509 4.971 ( -6.393 -11.892 -2.376) 13.709 5.533 ( 4.032 -7.698 0.546) 8.707 5.857 ( 1.884 -6.345 1.411) 6.767 6.187 ( -5.279 3.145 -2.694) 6.710 6.393 ( 0.223 3.375 1.476) 3.690 6.555 ( 0.330 1.365 -0.958) 1.700 6.641 ( 2.701 2.843 0.504) 3.954 7.328 ( -0.132 0.096 1.477) 1.486 7.380 ( -0.266 1.802 1.275) 2.223 7.534 ( -0.009 0.279 -1.399) 1.426 7.546 ( 0.383 0.227 -0.996) 1.091 7.794 ( -0.155 0.017 -0.106) 0.189 7.810 ( 0.416 2.491 -0.403) 2.558 ======================= Grid point 94 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -4.925 0.000 1.787) 5.239 1.138 ( -2.549 0.000 2.392) 3.496 1.158 ( 1.960 -0.000 -1.292) 2.347 1.348 ( -0.823 0.000 1.349) 1.580 1.401 ( 3.967 -0.000 2.486) 4.682 1.435 ( -3.161 0.000 -1.195) 3.379 1.524 ( -2.108 0.000 -2.121) 2.991 1.642 ( 8.695 -0.000 1.911) 8.903 1.768 ( -3.368 0.000 3.394) 4.781 1.787 ( -1.121 0.000 1.323) 1.734 2.009 ( 7.383 -0.000 -0.363) 7.392 2.033 ( 9.519 -0.000 -7.862) 12.346 2.198 ( 2.992 -0.000 -1.978) 3.586 2.209 ( -0.251 0.000 3.503) 3.512 2.739 ( -0.008 0.000 0.146) 0.146 2.753 ( 1.292 -0.000 -0.323) 1.332 3.093 ( 11.620 -0.000 2.662) 11.921 3.120 ( 4.106 -0.000 -1.269) 4.298 3.202 ( 4.326 -0.000 -0.102) 4.327 3.348 ( 7.555 -0.000 2.034) 7.824 3.792 ( 1.227 -0.000 -4.238) 4.412 3.859 ( 1.550 -0.000 -0.120) 1.555 4.061 ( -14.898 0.000 7.490) 16.675 4.417 ( -5.597 0.000 -6.731) 8.754 5.401 ( -12.580 0.000 3.231) 12.988 5.468 ( 0.163 -0.000 -3.980) 3.984 6.320 ( 6.875 -0.000 -1.899) 7.132 6.444 ( -0.521 0.000 3.454) 3.493 6.677 ( -2.533 0.000 0.860) 2.675 6.697 ( 1.577 -0.000 -1.065) 1.903 7.366 ( 0.186 -0.000 0.658) 0.684 7.486 ( 1.859 -0.000 0.391) 1.900 7.502 ( 0.282 -0.000 -0.819) 0.867 7.566 ( -0.152 0.000 -0.801) 0.815 7.801 ( -0.300 0.000 0.885) 0.935 7.905 ( 2.464 -0.000 -1.445) 2.857 ======================= Grid point 95 (44/114) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -3.220 -0.496 2.124) 3.889 1.064 ( -0.803 5.077 2.501) 5.716 1.209 ( 0.581 -2.775 -1.312) 3.124 1.313 ( -1.303 3.203 0.642) 3.517 1.375 ( -2.232 1.586 -1.106) 2.953 1.439 ( -0.059 1.702 0.630) 1.816 1.510 ( 0.067 -2.609 -0.107) 2.612 1.700 ( 0.723 3.755 0.626) 3.875 1.724 ( -1.158 0.708 -0.012) 1.357 1.783 ( 1.054 0.438 3.929) 4.092 2.074 ( 4.199 2.992 -0.830) 5.222 2.129 ( 4.369 0.411 -1.761) 4.728 2.183 ( -0.818 3.029 1.382) 3.429 2.267 ( 7.011 0.876 -5.498) 8.953 2.724 ( -0.315 1.783 0.150) 1.817 2.745 ( -1.007 0.538 -0.117) 1.148 3.143 ( 2.697 5.059 -0.040) 5.733 3.233 ( 1.716 1.658 -0.427) 2.424 3.276 ( 7.586 -1.688 2.003) 8.025 3.442 ( 3.652 4.120 2.937) 6.241 3.619 ( -8.690 9.701 2.345) 13.233 3.807 ( 0.006 5.657 -2.720) 6.278 4.091 ( -2.202 -16.839 1.517) 17.049 4.384 ( -0.562 -4.909 -5.137) 7.128 5.268 ( -9.029 -3.343 3.237) 10.157 5.488 ( 2.340 -1.909 -4.176) 5.153 6.400 ( 5.602 1.761 -0.418) 5.887 6.432 ( -1.853 0.070 2.546) 3.150 6.634 ( -3.258 0.147 1.234) 3.487 6.714 ( 1.368 0.476 -1.274) 1.929 7.366 ( -0.009 0.583 0.623) 0.853 7.498 ( 0.747 1.376 0.170) 1.575 7.506 ( 0.051 -0.484 -1.000) 1.112 7.564 ( 0.178 -0.125 -0.900) 0.926 7.798 ( -0.380 0.080 0.705) 0.805 7.925 ( 1.432 0.929 -1.413) 2.216 ======================= Grid point 96 (45/114) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.685 -1.329 2.320) 2.760 1.004 ( 0.654 5.279 2.626) 5.932 1.217 ( 0.104 4.099 -1.294) 4.299 1.260 ( -0.137 0.790 0.552) 0.973 1.312 ( -0.630 3.459 -2.013) 4.052 1.421 ( 0.336 0.880 0.816) 1.246 1.551 ( -0.147 -2.584 -0.964) 2.762 1.629 ( -3.982 2.621 -4.326) 6.437 1.686 ( 0.253 3.175 4.750) 5.719 1.814 ( 2.102 1.329 3.298) 4.130 2.055 ( 1.499 5.364 -0.935) 5.647 2.096 ( -3.369 5.096 0.454) 6.126 2.155 ( 0.350 0.667 -1.084) 1.320 2.331 ( 6.197 3.620 -3.810) 8.125 2.694 ( 1.235 3.158 -0.445) 3.420 2.721 ( -0.138 1.685 0.151) 1.697 3.000 ( -3.549 18.679 4.898) 19.634 3.186 ( -1.480 3.841 -0.014) 4.116 3.291 ( -2.324 7.036 0.800) 7.453 3.366 ( -0.813 -2.361 1.914) 3.147 3.564 ( -0.285 -1.333 -0.798) 1.579 3.716 ( 1.968 7.779 -3.167) 8.627 4.329 ( 0.423 -18.640 -0.524) 18.652 4.473 ( 1.804 -7.639 -2.352) 8.194 5.243 ( -3.143 -5.575 2.354) 6.819 5.564 ( 4.067 -4.019 -2.749) 6.344 6.371 ( -4.277 1.517 1.399) 4.748 6.464 ( 4.788 2.275 0.206) 5.305 6.590 ( -2.874 -0.206 0.876) 3.012 6.717 ( 1.117 1.479 -0.674) 1.972 7.355 ( -0.227 0.954 0.829) 1.284 7.476 ( -0.247 2.319 0.289) 2.350 7.511 ( -0.024 -0.828 -1.314) 1.553 7.566 ( 0.171 0.015 -1.018) 1.032 7.793 ( -0.397 -0.013 0.391) 0.558 7.915 ( 0.319 1.970 -1.192) 2.325 ======================= Grid point 97 (46/114) ======================= q-point: (-0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -2.143 1.428 2.582) 3.647 0.976 ( 3.050 3.124 3.036) 5.318 1.148 ( 2.290 7.073 -0.111) 7.435 1.256 ( 0.942 2.127 -0.795) 2.458 1.274 ( 1.849 2.680 -1.860) 3.750 1.404 ( -2.579 4.320 1.480) 5.244 1.468 ( -5.168 4.332 -2.179) 7.087 1.566 ( -2.893 -2.143 0.802) 3.688 1.716 ( 4.912 -0.135 1.511) 5.141 1.817 ( 0.223 2.680 1.267) 2.973 1.968 ( -3.024 5.176 1.265) 6.127 1.992 ( -0.163 6.116 -0.793) 6.170 2.118 ( -2.727 0.699 -2.592) 3.826 2.319 ( -0.626 3.602 0.910) 3.767 2.670 ( 3.239 11.830 0.655) 12.283 2.694 ( 2.028 1.742 -0.021) 2.674 2.745 ( 2.545 12.649 2.641) 13.170 3.120 ( -0.968 3.750 -0.158) 3.876 3.197 ( -0.697 4.874 -2.079) 5.345 3.341 ( -5.866 -2.140 0.705) 6.284 3.577 ( 0.411 -1.571 -0.603) 1.732 3.652 ( 3.041 7.176 -1.940) 8.032 4.508 ( -3.591 -11.109 0.708) 11.697 4.615 ( 0.223 -11.756 -2.193) 11.961 5.337 ( 4.301 -6.705 0.204) 7.968 5.691 ( 4.215 -5.743 0.422) 7.136 6.269 ( -5.284 2.882 -1.413) 6.182 6.469 ( -1.561 2.056 2.732) 3.759 6.578 ( 2.254 0.629 -1.278) 2.667 6.707 ( 0.944 2.026 0.245) 2.248 7.342 ( -0.255 0.867 1.096) 1.421 7.438 ( -0.762 2.378 0.541) 2.555 7.519 ( 0.128 -0.928 -1.409) 1.692 7.561 ( -0.150 0.379 -1.095) 1.169 7.789 ( -0.338 -0.189 0.133) 0.410 7.882 ( -0.213 2.511 -0.869) 2.666 ======================= Grid point 98 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -2.494 4.399 5.136) 7.208 0.970 ( -4.536 4.796 2.885) 7.204 1.068 ( 0.438 5.426 3.848) 6.667 1.239 ( 4.737 3.452 -0.528) 5.885 1.252 ( 0.808 1.950 -2.581) 3.334 1.301 ( 2.209 3.014 2.949) 4.760 1.417 ( -0.261 2.472 0.670) 2.574 1.560 ( -2.246 -2.363 0.687) 3.332 1.750 ( -1.845 3.948 0.435) 4.379 1.788 ( 1.870 1.683 -2.246) 3.373 1.882 ( -0.170 2.991 2.386) 3.830 1.915 ( 0.405 3.859 -2.801) 4.785 2.091 ( -1.532 -3.201 -1.708) 3.938 2.250 ( -2.462 3.424 3.724) 5.626 2.563 ( 9.744 16.601 0.122) 19.250 2.700 ( 1.856 2.557 -0.690) 3.234 2.733 ( 5.533 2.201 0.130) 5.956 3.057 ( -0.985 2.953 -0.888) 3.238 3.129 ( -0.371 3.771 -2.168) 4.365 3.291 ( -2.585 -0.542 -0.437) 2.677 3.591 ( -0.216 1.735 -2.465) 3.022 3.626 ( 3.307 0.865 1.111) 3.594 4.550 ( -6.750 -7.205 2.516) 10.188 4.724 ( -3.204 -8.996 -3.043) 10.023 5.526 ( 8.176 -6.879 -1.520) 10.793 5.808 ( 0.197 -4.370 3.684) 5.719 6.152 ( -3.539 2.627 -2.881) 5.266 6.395 ( -4.385 2.160 1.248) 5.045 6.615 ( 4.258 1.577 -0.792) 4.609 6.697 ( 0.781 1.524 0.600) 1.815 7.335 ( 0.049 0.338 1.321) 1.364 7.400 ( -0.767 1.750 0.823) 2.080 7.530 ( 0.262 -0.624 -1.257) 1.427 7.548 ( -0.227 0.374 -1.100) 1.184 7.788 ( -0.235 -0.279 0.064) 0.370 7.846 ( 0.101 2.211 -0.633) 2.302 ======================= Grid point 103 (48/114) ======================= q-point: (-0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.278 -0.000 2.482) 2.497 1.094 ( -0.594 -0.000 3.823) 3.869 1.187 ( 0.033 -0.000 -2.613) 2.614 1.319 ( -0.965 -0.000 0.229) 0.991 1.374 ( 0.404 -0.000 -1.143) 1.213 1.449 ( -0.361 0.000 -1.992) 2.025 1.480 ( -0.689 -0.000 2.413) 2.510 1.676 ( -3.299 -0.000 -3.924) 5.127 1.726 ( -0.438 -0.000 5.141) 5.160 1.823 ( 0.218 -0.000 3.330) 3.337 2.128 ( 0.806 -0.000 -1.625) 1.814 2.164 ( 1.086 -0.000 -0.122) 1.093 2.174 ( -3.014 0.000 -0.034) 3.015 2.392 ( 8.113 -0.000 -5.403) 9.747 2.736 ( 0.133 -0.000 -0.039) 0.139 2.743 ( 0.300 -0.000 0.162) 0.341 3.209 ( 1.127 -0.000 0.122) 1.134 3.251 ( -1.096 -0.000 -0.723) 1.313 3.321 ( -1.002 -0.000 1.614) 1.900 3.541 ( -2.956 -0.000 0.045) 2.956 3.602 ( -2.280 -0.000 6.726) 7.102 3.869 ( -0.272 -0.000 -2.072) 2.090 3.870 ( -1.100 0.000 -1.143) 1.586 4.362 ( 4.155 -0.000 -4.275) 5.962 5.166 ( -2.493 -0.000 2.368) 3.438 5.510 ( 3.787 -0.000 -3.254) 4.993 6.392 ( -3.793 -0.000 1.976) 4.277 6.495 ( 4.506 -0.000 0.524) 4.536 6.586 ( -3.197 -0.000 0.869) 3.313 6.735 ( 1.264 -0.000 -0.897) 1.549 7.370 ( -0.104 -0.000 0.470) 0.481 7.498 ( -0.113 -0.000 -1.192) 1.197 7.514 ( -0.191 -0.000 -0.036) 0.194 7.561 ( 0.021 -0.000 -0.855) 0.856 7.793 ( -0.567 -0.000 0.536) 0.780 7.942 ( 0.408 -0.000 -1.412) 1.470 ======================= Grid point 105 (49/114) ======================= q-point: (-0.38 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 1.326 0.077 2.006) 2.406 1.077 ( 0.619 3.864 2.394) 4.587 1.200 ( -0.337 -3.221 -1.393) 3.526 1.291 ( -0.240 2.495 -0.194) 2.514 1.354 ( 0.096 2.233 -1.818) 2.881 1.455 ( 2.263 0.821 0.357) 2.433 1.496 ( -0.637 -2.502 0.485) 2.627 1.587 ( -5.033 3.003 -3.861) 7.018 1.740 ( 1.247 0.926 4.574) 4.831 1.813 ( -3.073 -1.156 2.863) 4.357 2.071 ( -5.270 2.321 -1.126) 5.868 2.124 ( -0.463 3.046 -1.280) 3.336 2.164 ( -0.414 1.124 -0.979) 1.547 2.432 ( 1.068 3.875 -0.704) 4.081 2.730 ( 0.021 0.898 0.149) 0.910 2.749 ( 1.195 0.984 0.106) 1.552 3.168 ( -3.415 6.316 0.595) 7.205 3.194 ( -1.974 1.633 -0.039) 2.563 3.268 ( -7.727 -1.783 0.766) 7.967 3.362 ( -4.841 8.261 1.740) 9.732 3.581 ( 3.515 6.444 -0.235) 7.344 3.822 ( 1.759 4.208 -1.468) 4.791 4.054 ( -1.300 -19.463 -0.905) 19.528 4.458 ( 6.035 -2.869 -1.869) 6.939 5.209 ( 5.123 -2.649 0.717) 5.812 5.581 ( 4.348 -2.306 -0.903) 5.004 6.326 ( -4.310 1.259 -0.365) 4.505 6.496 ( -4.299 0.229 2.844) 5.160 6.594 ( 4.223 0.455 -0.708) 4.306 6.743 ( 0.418 0.661 -0.079) 0.786 7.365 ( -0.292 0.643 0.619) 0.939 7.492 ( -1.144 1.360 -0.070) 1.779 7.497 ( -0.089 -0.525 -1.227) 1.337 7.561 ( -0.133 -0.281 -1.000) 1.047 7.786 ( -0.570 -0.084 0.251) 0.628 7.929 ( -0.631 0.981 -1.186) 1.663 ======================= Grid point 106 (50/114) ======================= q-point: (-0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -1.397 2.207 1.459) 2.992 1.051 ( 0.993 2.315 2.233) 3.367 1.215 ( -0.451 0.886 -1.299) 1.636 1.275 ( 0.957 0.783 -0.196) 1.252 1.333 ( 0.948 1.838 -1.318) 2.452 1.406 ( -8.092 6.485 -0.083) 10.370 1.474 ( 1.155 1.586 1.172) 2.285 1.517 ( 0.092 -0.752 -0.270) 0.804 1.775 ( 1.435 -1.640 -0.642) 2.272 1.794 ( -2.223 -1.046 4.387) 5.028 1.954 ( -5.125 1.893 -0.822) 5.525 2.044 ( -3.038 5.826 0.058) 6.571 2.108 ( -1.647 3.437 -3.306) 5.045 2.339 ( -4.250 4.254 2.986) 6.714 2.720 ( 0.681 0.887 0.404) 1.189 2.755 ( 1.509 1.276 -0.170) 1.984 3.035 ( 1.504 10.389 -0.506) 10.509 3.132 ( -2.891 2.509 -0.619) 3.878 3.160 ( -10.517 -3.344 2.535) 11.324 3.263 ( 0.649 2.824 -2.342) 3.725 3.560 ( 1.313 1.827 -0.692) 2.354 3.780 ( 1.871 6.019 -0.726) 6.345 4.247 ( -3.721 -14.811 -0.032) 15.271 4.582 ( 5.974 -2.628 -1.273) 6.649 5.374 ( 10.229 -4.232 -1.196) 11.135 5.687 ( 3.230 -4.144 2.719) 5.916 6.231 ( -3.884 2.855 -2.875) 5.613 6.424 ( -5.659 0.104 2.221) 6.080 6.649 ( 4.368 1.036 -0.292) 4.499 6.731 ( -0.676 0.917 0.624) 1.299 7.352 ( -0.354 0.785 0.914) 1.255 7.449 ( -1.665 1.745 0.275) 2.427 7.505 ( 0.120 -1.002 -1.289) 1.637 7.556 ( -0.256 0.043 -1.165) 1.194 7.781 ( -0.378 -0.253 0.018) 0.455 7.896 ( -1.085 1.436 -0.828) 1.981 ======================= Grid point 107 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -3.656 2.317 3.393) 5.500 0.984 ( -7.909 8.648 3.925) 12.359 1.110 ( -2.628 3.560 2.465) 5.066 1.236 ( -1.977 -0.876 -0.700) 2.273 1.315 ( 2.749 -0.723 -1.137) 3.062 1.376 ( 2.346 0.409 1.156) 2.647 1.465 ( 0.640 2.549 1.365) 2.962 1.517 ( -0.369 -0.051 0.636) 0.738 1.733 ( -4.663 0.787 1.144) 4.865 1.818 ( -1.669 2.239 -1.596) 3.217 1.892 ( -0.490 -0.863 1.720) 1.986 1.940 ( -0.716 0.962 -2.314) 2.606 2.042 ( -0.929 0.982 -3.606) 3.851 2.258 ( -2.661 1.893 2.677) 4.223 2.735 ( 1.805 0.747 0.178) 1.961 2.754 ( 1.264 1.661 -0.103) 2.089 2.947 ( 4.927 9.068 -1.291) 10.400 3.045 ( -7.669 -2.395 -0.439) 8.046 3.077 ( -3.498 0.990 1.744) 4.032 3.271 ( 1.317 -1.608 -2.433) 3.200 3.566 ( 0.708 -0.872 -1.396) 1.792 3.720 ( 0.933 5.996 0.561) 6.094 4.337 ( -4.369 -8.577 1.349) 9.720 4.679 ( 4.460 -0.431 -2.135) 4.963 5.589 ( 10.588 -4.120 -2.018) 11.539 5.770 ( -0.450 -2.948 4.552) 5.442 6.130 ( -3.597 2.993 -2.143) 5.147 6.351 ( -3.295 0.095 -0.254) 3.306 6.691 ( 2.901 1.349 0.313) 3.215 6.706 ( -1.261 0.329 0.434) 1.373 7.343 ( -0.086 0.321 1.233) 1.277 7.405 ( -1.464 1.221 0.593) 1.997 7.518 ( 0.255 -1.169 -1.147) 1.658 7.546 ( -0.158 0.401 -1.242) 1.314 7.781 ( -0.144 -0.360 -0.022) 0.389 7.862 ( -0.727 1.133 -0.553) 1.456 ======================= Grid point 113 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.829 -0.000 0.823) 1.168 1.135 ( -1.714 0.000 -2.185) 2.777 1.149 ( 1.293 -0.000 2.511) 2.825 1.300 ( -0.425 0.000 -0.748) 0.861 1.342 ( -1.193 0.000 -0.597) 1.334 1.501 ( 1.473 -0.000 2.207) 2.653 1.502 ( 3.587 -0.000 -3.582) 5.069 1.516 ( -6.652 0.000 -1.882) 6.913 1.737 ( -5.776 0.000 1.956) 6.098 1.777 ( 1.554 -0.000 3.468) 3.800 1.981 ( -7.617 0.000 -1.511) 7.766 2.133 ( -0.753 0.000 -0.646) 0.993 2.161 ( -0.999 0.000 -1.335) 1.667 2.442 ( -4.868 0.000 4.226) 6.446 2.732 ( 0.048 -0.000 -0.186) 0.192 2.752 ( -3.287 0.000 -0.073) 3.288 3.037 ( -11.700 0.000 1.819) 11.841 3.169 ( -3.370 0.000 -0.768) 3.456 3.181 ( -4.787 0.000 -1.261) 4.950 3.307 ( -6.830 0.000 1.373) 6.967 3.811 ( -2.995 0.000 -2.977) 4.222 3.838 ( 5.322 -0.000 -2.205) 5.761 3.882 ( 7.615 -0.000 1.083) 7.692 4.549 ( 8.317 -0.000 -0.600) 8.338 5.318 ( 11.191 -0.000 -0.567) 11.205 5.626 ( 3.604 -0.000 1.777) 4.019 6.275 ( -3.067 0.000 -2.774) 4.136 6.419 ( -6.468 0.000 2.449) 6.916 6.664 ( 4.217 -0.000 0.224) 4.223 6.743 ( -1.106 0.000 0.568) 1.244 7.365 ( -0.557 0.000 0.659) 0.863 7.476 ( -2.165 0.000 0.158) 2.170 7.489 ( 0.019 -0.000 -1.301) 1.301 7.554 ( -0.030 0.000 -1.186) 1.186 7.777 ( -0.439 0.000 -0.032) 0.440 7.915 ( -1.575 0.000 -0.919) 1.823 ======================= Grid point 114 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -3.493 1.982 0.118) 4.018 1.082 ( -1.129 2.304 -0.338) 2.588 1.178 ( -1.605 -2.197 0.395) 2.750 1.291 ( -0.112 -0.234 -0.894) 0.931 1.339 ( -10.475 5.907 1.648) 12.138 1.358 ( 1.138 -0.666 0.185) 1.331 1.511 ( 0.410 1.446 0.864) 1.734 1.546 ( 3.259 0.834 -2.876) 4.425 1.680 ( -4.712 -3.006 0.347) 5.600 1.818 ( 1.997 -1.029 1.301) 2.596 1.862 ( -7.467 -0.588 -0.578) 7.512 2.067 ( -4.988 6.270 1.759) 8.203 2.120 ( -1.193 2.232 -2.521) 3.572 2.317 ( -6.904 3.482 4.216) 8.807 2.665 ( -12.633 -7.807 1.811) 14.961 2.744 ( 0.929 -0.561 0.144) 1.094 2.945 ( -3.932 -0.780 0.691) 4.068 3.083 ( -4.098 2.088 -1.601) 4.870 3.116 ( -3.825 -0.027 0.196) 3.831 3.225 ( -5.080 -1.555 -0.815) 5.375 3.681 ( 0.157 7.511 -3.271) 8.194 3.848 ( -0.263 2.158 -0.312) 2.197 4.120 ( 9.186 -6.615 -0.679) 11.340 4.680 ( 8.839 0.051 -0.443) 8.850 5.514 ( 13.508 -1.281 -1.533) 13.655 5.693 ( 1.700 -2.188 4.740) 5.490 6.214 ( -1.875 2.729 -4.206) 5.353 6.332 ( -6.272 -1.303 1.371) 6.551 6.714 ( -2.860 0.181 1.007) 3.038 6.715 ( 2.944 0.506 0.440) 3.020 7.354 ( -0.725 0.325 0.826) 1.146 7.436 ( -2.389 0.835 0.550) 2.590 7.491 ( 0.135 -0.718 -1.225) 1.426 7.551 ( 0.048 0.011 -1.335) 1.336 7.774 ( -0.102 -0.163 -0.276) 0.336 7.883 ( -1.966 0.402 -0.516) 2.072 ======================= Grid point 115 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -5.162 1.568 2.228) 5.837 0.955 ( -11.795 7.417 3.527) 14.372 1.119 ( -3.429 3.791 2.618) 5.743 1.183 ( -2.240 -1.732 0.277) 2.845 1.302 ( -0.970 -2.233 -1.274) 2.748 1.389 ( 0.216 -0.944 1.411) 1.711 1.483 ( -1.941 1.284 1.018) 2.540 1.551 ( 1.403 2.764 -1.339) 3.377 1.665 ( -2.368 -2.187 0.400) 3.248 1.748 ( -7.787 -0.823 -0.996) 7.893 1.884 ( -0.497 -0.677 1.346) 1.587 1.916 ( -1.323 -0.718 -1.246) 1.954 2.060 ( -0.459 3.401 -2.648) 4.335 2.237 ( -2.702 0.371 1.665) 3.196 2.613 ( -13.465 -12.308 3.273) 18.534 2.769 ( 0.301 -1.070 1.596) 1.945 2.879 ( -4.365 1.799 -0.539) 4.752 3.016 ( -1.302 0.999 -1.900) 2.511 3.091 ( -0.089 -0.918 1.369) 1.650 3.192 ( -3.807 -4.163 -3.697) 6.745 3.596 ( -1.413 2.809 -2.882) 4.265 3.794 ( -1.088 4.488 0.741) 4.677 4.300 ( 8.815 -1.207 -0.337) 8.904 4.787 ( 7.687 2.691 -0.812) 8.185 5.717 ( 9.742 0.053 -0.533) 9.756 5.747 ( 1.683 -2.822 3.337) 4.683 6.106 ( -5.599 4.100 -0.508) 6.958 6.307 ( 0.232 -2.413 -2.267) 3.319 6.663 ( -4.287 -0.435 0.962) 4.415 6.740 ( 1.257 0.755 0.392) 1.518 7.345 ( -0.465 -0.055 1.109) 1.204 7.393 ( -1.953 0.717 0.929) 2.279 7.503 ( 0.281 -1.129 -1.205) 1.675 7.547 ( 0.146 0.229 -1.306) 1.334 7.776 ( 0.169 -0.257 -0.310) 0.437 7.851 ( -1.580 0.027 -0.232) 1.597 ======================= Grid point 122 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -8.356 0.000 0.792) 8.393 1.063 ( -4.823 0.000 -2.551) 5.456 1.146 ( -1.215 0.000 1.672) 2.067 1.195 ( -10.217 0.000 3.506) 10.801 1.281 ( -3.100 0.000 -0.239) 3.109 1.381 ( 0.670 -0.000 1.222) 1.394 1.533 ( 0.518 -0.000 -1.248) 1.351 1.580 ( -0.718 0.000 -4.199) 4.260 1.605 ( 0.279 -0.000 0.426) 0.510 1.726 ( -8.254 0.000 -1.201) 8.341 1.849 ( 2.326 -0.000 1.348) 2.689 2.048 ( -10.510 0.000 5.530) 11.876 2.082 ( -3.864 0.000 -1.676) 4.212 2.249 ( -7.574 0.000 6.292) 9.847 2.329 ( -14.154 0.000 -0.776) 14.175 2.750 ( -0.232 0.000 1.040) 1.066 2.948 ( 1.210 -0.000 -1.623) 2.025 3.010 ( -6.508 0.000 -1.906) 6.781 3.044 ( -3.652 0.000 -0.638) 3.708 3.145 ( -3.317 0.000 -0.598) 3.371 3.652 ( -6.294 0.000 -3.557) 7.229 3.850 ( -1.043 0.000 -0.359) 1.103 4.293 ( 14.989 -0.000 -0.595) 15.001 4.823 ( 10.023 -0.000 -0.727) 10.049 5.708 ( 0.463 -0.000 5.498) 5.517 5.713 ( 13.946 -0.000 -1.206) 13.998 6.207 ( -8.316 0.000 1.929) 8.537 6.231 ( 2.266 -0.000 -5.876) 6.298 6.658 ( -5.090 0.000 1.355) 5.268 6.750 ( 1.044 -0.000 0.517) 1.165 7.344 ( -1.011 0.000 0.714) 1.238 7.408 ( -2.309 0.000 1.321) 2.660 7.485 ( 0.306 -0.000 -1.278) 1.314 7.549 ( 0.157 -0.000 -1.409) 1.418 7.773 ( 0.286 -0.000 -0.536) 0.608 7.850 ( -2.380 0.000 -0.092) 2.382 ======================= Grid point 123 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -9.370 -2.404 4.299) 10.586 0.849 ( -16.190 5.916 4.610) 17.843 1.126 ( -0.893 1.427 1.901) 2.539 1.134 ( -1.978 -1.034 -0.236) 2.245 1.217 ( -7.342 -1.372 -0.642) 7.497 1.373 ( -2.353 -0.632 2.235) 3.306 1.472 ( -2.938 3.008 0.738) 4.269 1.545 ( -9.245 -0.237 0.541) 9.264 1.627 ( 1.540 0.187 -1.672) 2.281 1.642 ( -0.994 -2.692 -1.561) 3.267 1.815 ( -9.785 0.478 2.252) 10.052 1.902 ( 2.271 -2.084 0.886) 3.208 2.058 ( -3.054 -2.289 -1.597) 4.138 2.200 ( -4.078 -3.448 4.063) 6.710 2.250 ( -6.436 -5.667 0.255) 8.579 2.738 ( -3.088 -1.348 1.674) 3.762 2.862 ( -4.757 4.279 -2.041) 6.716 2.992 ( -1.579 -0.298 -2.270) 2.781 3.005 ( -2.812 -5.219 -2.327) 6.369 3.129 ( 0.548 -1.683 -2.043) 2.704 3.540 ( -6.265 0.185 -2.574) 6.776 3.809 ( -2.578 1.950 0.210) 3.239 4.491 ( 12.911 1.773 0.046) 13.032 4.952 ( 9.417 2.842 -1.100) 9.898 5.739 ( 1.032 -1.057 3.353) 3.664 5.882 ( 7.366 1.279 0.804) 7.519 6.073 ( -3.747 3.702 -0.658) 5.308 6.290 ( 3.722 -3.247 -3.489) 6.047 6.576 ( -6.763 -0.658 1.233) 6.906 6.749 ( -1.137 0.274 0.343) 1.219 7.335 ( -0.740 -0.414 0.807) 1.170 7.378 ( -1.719 0.588 1.877) 2.612 7.493 ( 0.563 -0.709 -1.285) 1.572 7.547 ( 0.092 -0.006 -1.332) 1.335 7.778 ( 0.484 -0.074 -0.585) 0.762 7.819 ( -2.067 -0.502 0.163) 2.133 ======================= Grid point 131 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -10.596 0.000 10.079) 14.624 0.658 ( -16.508 0.000 8.137) 18.405 1.043 ( -12.838 0.000 2.288) 13.040 1.062 ( -11.259 0.000 -0.137) 11.259 1.149 ( 1.451 -0.000 0.398) 1.505 1.262 ( -11.398 0.000 9.790) 15.025 1.394 ( -4.034 0.000 2.765) 4.891 1.489 ( -7.203 0.000 2.464) 7.613 1.559 ( 2.196 -0.000 -1.629) 2.734 1.651 ( 1.334 -0.000 -2.438) 2.779 1.728 ( -1.359 0.000 -0.895) 1.627 1.933 ( 2.623 -0.000 -0.185) 2.630 1.949 ( -3.520 0.000 -2.060) 4.078 2.125 ( -2.979 0.000 4.218) 5.165 2.256 ( 4.032 -0.000 -2.216) 4.601 2.663 ( -5.134 0.000 0.207) 5.138 2.822 ( -5.219 0.000 0.041) 5.220 2.892 ( -5.791 0.000 -10.570) 12.052 2.957 ( -2.213 0.000 -0.688) 2.318 3.122 ( 1.882 -0.000 -3.323) 3.818 3.449 ( -4.413 0.000 0.836) 4.492 3.772 ( -3.807 0.000 -0.364) 3.824 4.673 ( 9.175 -0.000 1.458) 9.290 5.116 ( 9.894 -0.000 -1.835) 10.063 5.773 ( 3.905 -0.000 0.900) 4.007 5.876 ( -8.126 0.000 4.088) 9.096 6.166 ( 10.452 -0.000 -3.490) 11.019 6.317 ( 3.985 -0.000 -1.673) 4.322 6.458 ( -8.519 0.000 1.199) 8.602 6.715 ( -3.730 0.000 -0.325) 3.745 7.324 ( -0.424 0.000 0.865) 0.963 7.368 ( -1.081 0.000 2.515) 2.738 7.495 ( 0.855 -0.000 -1.229) 1.498 7.542 ( -0.121 0.000 -1.311) 1.317 7.784 ( 0.608 -0.000 -0.700) 0.927 7.784 ( -1.938 0.000 0.397) 1.978 ======================= Grid point 132 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -3.569 0.000 12.573) 13.070 0.698 ( -8.216 0.000 12.805) 15.214 0.931 ( 5.478 -0.000 3.820) 6.679 1.061 ( 4.701 -0.000 5.931) 7.568 1.188 ( -0.158 0.000 0.990) 1.003 1.282 ( -3.413 0.000 4.402) 5.570 1.379 ( -4.420 0.000 0.028) 4.420 1.388 ( -1.170 0.000 5.831) 5.948 1.532 ( 1.403 -0.000 -4.868) 5.066 1.646 ( 1.935 -0.000 -1.761) 2.616 1.797 ( -1.585 0.000 -1.492) 2.177 1.883 ( 1.557 -0.000 1.319) 2.041 1.959 ( 2.598 -0.000 1.293) 2.902 2.155 ( -1.003 0.000 2.150) 2.373 2.325 ( 0.349 -0.000 -2.349) 2.375 2.492 ( -0.317 0.000 -6.532) 6.540 2.625 ( 6.847 -0.000 1.207) 6.952 2.700 ( -2.304 0.000 -1.238) 2.616 2.932 ( 0.120 -0.000 0.246) 0.274 3.032 ( 1.532 -0.000 -6.219) 6.405 3.508 ( 3.233 -0.000 1.741) 3.672 3.593 ( -4.845 0.000 -2.180) 5.312 4.913 ( 0.043 -0.000 5.439) 5.439 5.189 ( -0.389 0.000 -6.474) 6.485 5.769 ( -3.250 0.000 2.465) 4.079 5.896 ( 7.452 -0.000 -3.336) 8.165 6.216 ( -10.818 0.000 2.691) 11.147 6.317 ( 5.015 -0.000 -1.703) 5.296 6.477 ( 5.431 -0.000 1.725) 5.698 6.538 ( -4.225 0.000 -1.030) 4.349 7.365 ( 0.088 -0.000 2.369) 2.370 7.408 ( -1.241 0.000 2.583) 2.865 7.478 ( 0.084 -0.000 -2.230) 2.231 7.505 ( 1.249 -0.000 -1.743) 2.144 7.754 ( -0.749 0.000 0.389) 0.844 7.781 ( 0.670 -0.000 -0.769) 1.020 ======================= Grid point 133 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 2.091 -5.585 9.624) 11.322 0.756 ( 7.339 -4.320 8.734) 12.199 1.044 ( 9.591 1.407 2.658) 10.052 1.114 ( -1.688 1.574 3.007) 3.791 1.187 ( 1.312 -0.181 2.927) 3.213 1.285 ( -2.645 -4.200 6.122) 7.882 1.355 ( 2.343 -1.402 -5.704) 6.324 1.425 ( 1.773 0.490 5.182) 5.499 1.549 ( -0.036 -4.611 -1.699) 4.914 1.676 ( 2.156 -0.508 -4.661) 5.160 1.796 ( 0.544 -0.204 0.241) 0.629 1.875 ( -0.847 0.027 -0.796) 1.163 2.020 ( 2.392 -2.254 8.319) 8.945 2.177 ( -0.054 -3.633 2.081) 4.187 2.319 ( 0.845 1.658 -0.491) 1.924 2.514 ( 3.581 -2.398 -6.807) 8.057 2.673 ( 2.972 1.609 -0.695) 3.450 2.787 ( 6.877 -4.656 -3.653) 9.073 2.952 ( 0.888 -1.816 0.225) 2.034 3.059 ( 0.602 -3.922 -6.141) 7.311 3.525 ( -2.620 -0.061 -2.203) 3.424 3.576 ( 4.509 -0.086 1.954) 4.915 4.877 ( -4.197 3.186 4.905) 7.200 5.089 ( -6.675 3.407 -5.619) 9.367 5.736 ( 1.519 4.350 1.260) 4.777 5.991 ( 7.036 2.910 -2.502) 8.014 6.069 ( -9.579 -1.842 1.441) 9.860 6.339 ( -3.109 -2.378 0.957) 4.029 6.514 ( 2.394 0.666 -1.695) 3.008 6.582 ( 4.277 -2.832 1.412) 5.320 7.376 ( 0.210 0.015 2.578) 2.586 7.398 ( -0.926 -0.105 2.275) 2.458 7.475 ( 0.028 -0.577 -2.400) 2.468 7.519 ( 1.293 0.145 -1.694) 2.136 7.756 ( 0.020 -0.900 0.120) 0.908 7.790 ( 0.690 -0.115 -0.442) 0.827 ======================= Grid point 134 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 1.755 -5.919 9.157) 11.044 0.975 ( 9.970 -2.619 0.796) 10.339 1.061 ( -0.510 2.806 2.958) 4.109 1.192 ( 7.686 -0.437 0.874) 7.748 1.214 ( 3.057 0.392 2.504) 3.971 1.319 ( -0.570 -3.427 3.453) 4.899 1.396 ( -0.054 0.624 1.127) 1.289 1.458 ( 1.916 -4.299 -3.840) 6.074 1.631 ( 1.484 -4.380 -1.441) 4.843 1.695 ( 1.627 -0.524 -4.499) 4.813 1.794 ( -2.048 -1.054 0.425) 2.342 1.886 ( 3.099 0.505 -0.325) 3.156 2.140 ( 1.391 -4.944 5.425) 7.470 2.241 ( 1.473 -0.782 0.143) 1.674 2.330 ( 3.001 -3.454 7.317) 8.630 2.598 ( 3.888 -3.095 -3.350) 5.994 2.727 ( 6.309 0.689 -1.342) 6.487 2.920 ( 4.433 -3.920 -4.072) 7.183 3.003 ( 1.232 -3.063 0.065) 3.302 3.118 ( 0.789 -6.567 -4.739) 8.137 3.499 ( -0.536 -0.583 -2.856) 2.964 3.655 ( 5.211 0.429 1.926) 5.573 4.744 ( -6.210 5.502 2.002) 8.535 4.892 ( -9.884 5.719 -2.701) 11.734 5.703 ( 3.667 6.903 0.601) 7.839 5.924 ( -7.953 -1.198 2.722) 8.491 6.077 ( 5.228 2.598 -3.543) 6.829 6.317 ( -6.177 -5.170 0.834) 8.098 6.567 ( 5.486 0.164 -1.220) 5.622 6.670 ( 2.368 -2.086 1.307) 3.416 7.381 ( -0.075 0.375 2.564) 2.592 7.400 ( -0.271 -0.557 1.788) 1.892 7.480 ( 0.196 -0.955 -2.234) 2.437 7.527 ( 0.940 0.630 -1.812) 2.137 7.776 ( 0.531 -1.281 -0.356) 1.432 7.801 ( 0.585 -0.194 0.020) 0.617 ======================= Grid point 135 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -1.523 -3.428 7.139) 8.065 1.019 ( 0.769 4.601 7.201) 8.579 1.094 ( 1.705 -0.726 -0.161) 1.860 1.220 ( 1.181 0.464 0.442) 1.344 1.315 ( 4.480 1.036 -0.422) 4.618 1.359 ( -0.566 -2.351 0.875) 2.572 1.431 ( 4.612 -2.059 -0.003) 5.051 1.525 ( 1.208 -2.396 -1.470) 3.059 1.683 ( 0.465 -2.829 -2.209) 3.620 1.704 ( -1.847 -1.280 0.597) 2.325 1.802 ( 0.763 -2.561 -2.237) 3.485 1.931 ( 3.377 0.448 -0.928) 3.530 2.141 ( -0.583 5.693 0.837) 5.783 2.239 ( -1.302 -1.554 0.757) 2.164 2.561 ( 7.016 -10.230 4.793) 13.298 2.678 ( 2.788 -2.523 -0.931) 3.874 2.819 ( 6.156 -0.589 -0.225) 6.188 2.994 ( 2.082 -1.872 -1.992) 3.436 3.045 ( -0.829 -2.060 -0.490) 2.274 3.231 ( 3.123 -6.017 -1.972) 7.061 3.504 ( 1.037 -0.744 -2.730) 3.014 3.710 ( 2.742 1.754 1.336) 3.519 4.604 ( -5.091 3.650 1.860) 6.534 4.646 ( -8.610 6.521 -2.869) 11.175 5.678 ( 2.371 3.691 0.373) 4.403 5.858 ( -3.327 -0.583 1.358) 3.641 6.083 ( 0.081 1.421 -1.025) 1.754 6.306 ( -2.119 -2.572 -0.591) 3.384 6.648 ( 4.521 -0.921 -0.697) 4.666 6.710 ( -0.011 -0.785 1.185) 1.421 7.383 ( -0.238 0.029 2.272) 2.285 7.408 ( 0.031 -0.112 1.451) 1.456 7.491 ( 0.300 -0.975 -1.900) 2.156 7.520 ( 0.488 1.112 -1.819) 2.187 7.792 ( 0.243 -0.136 -0.066) 0.286 7.817 ( 0.624 -0.868 -0.336) 1.121 ======================= Grid point 136 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -3.295 -0.957 5.016) 6.078 0.985 ( -1.856 3.289 11.003) 11.633 1.098 ( -1.230 -0.524 1.332) 1.887 1.224 ( -0.695 0.107 0.906) 1.146 1.308 ( -1.503 1.310 -1.491) 2.489 1.401 ( 1.342 -1.633 -1.671) 2.694 1.492 ( 1.138 0.330 -1.037) 1.575 1.545 ( 0.299 0.949 1.063) 1.456 1.680 ( -2.347 -0.284 1.054) 2.589 1.715 ( 0.289 -0.970 -1.658) 1.942 1.848 ( 0.098 -3.295 -1.095) 3.474 1.959 ( 3.442 3.349 -2.576) 5.450 2.047 ( -1.358 4.414 1.940) 5.009 2.239 ( -0.980 -0.642 0.202) 1.189 2.695 ( -0.223 -1.858 -0.207) 1.883 2.767 ( 3.114 -2.933 -1.077) 4.411 2.910 ( 3.343 -1.106 -1.745) 3.930 2.991 ( -4.250 2.761 0.729) 5.120 3.058 ( 1.571 -2.112 -0.116) 2.634 3.285 ( -0.162 2.952 -0.024) 2.957 3.526 ( 1.139 -0.040 -2.633) 2.869 3.710 ( -0.525 -0.901 1.490) 1.819 4.428 ( -3.711 5.383 3.301) 7.324 4.624 ( 3.064 -4.797 -4.166) 7.054 5.680 ( -1.355 -2.671 0.147) 2.999 5.847 ( 3.437 2.737 0.322) 4.405 6.047 ( -4.752 -1.644 0.969) 5.121 6.317 ( 2.728 1.313 -1.499) 3.378 6.689 ( -1.921 0.452 0.153) 1.979 6.717 ( 1.586 -0.957 0.379) 1.891 7.386 ( -0.348 -0.243 2.244) 2.284 7.410 ( -0.048 0.494 1.261) 1.356 7.501 ( 0.081 -0.355 -1.842) 1.878 7.505 ( 0.450 0.880 -1.608) 1.888 7.790 ( -0.032 0.565 0.273) 0.629 7.832 ( 0.236 -0.474 -0.712) 0.887 ======================= Grid point 137 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -6.058 0.136 6.319) 8.755 0.944 ( -2.058 2.652 10.121) 10.664 1.099 ( -1.567 -1.784 2.168) 3.216 1.189 ( -3.316 1.799 2.111) 4.324 1.237 ( -5.745 0.835 -0.278) 5.812 1.407 ( -0.998 0.631 -1.774) 2.131 1.471 ( -1.585 0.958 -0.503) 1.919 1.528 ( 0.377 0.637 -1.524) 1.694 1.644 ( -2.402 2.169 0.882) 3.354 1.693 ( -0.527 2.612 -0.107) 2.667 1.869 ( -1.613 -0.809 0.902) 2.017 1.912 ( 2.306 5.062 -5.202) 7.616 2.048 ( 0.870 -1.459 3.372) 3.776 2.230 ( -0.045 0.564 0.208) 0.603 2.631 ( -7.715 5.979 1.325) 9.850 2.780 ( -3.414 0.730 -0.495) 3.526 2.853 ( -4.977 4.301 3.386) 7.398 2.914 ( 0.126 1.999 -6.116) 6.436 3.090 ( 0.627 2.188 -2.897) 3.684 3.168 ( -2.067 7.215 0.623) 7.531 3.508 ( -1.469 0.820 -1.954) 2.579 3.737 ( -1.997 -3.669 0.712) 4.238 4.451 ( 7.829 -2.365 2.607) 8.583 4.775 ( 6.318 -7.502 -2.955) 10.244 5.704 ( -3.380 -6.322 -0.467) 7.184 5.892 ( 6.596 2.377 0.642) 7.040 5.999 ( -5.166 -2.468 1.148) 5.839 6.341 ( 5.552 3.718 -1.574) 6.864 6.621 ( -5.271 1.405 0.505) 5.479 6.739 ( -0.347 -0.337 -0.131) 0.501 7.388 ( -0.422 0.494 2.303) 2.393 7.404 ( -0.459 0.078 1.653) 1.718 7.488 ( 0.381 1.060 -1.607) 1.962 7.508 ( 0.218 -0.342 -1.895) 1.938 7.781 ( 0.039 0.686 0.073) 0.691 7.829 ( -0.489 0.399 -0.542) 0.832 ======================= Grid point 138 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -7.080 -0.438 10.284) 12.493 0.887 ( -6.450 3.010 11.447) 13.480 1.073 ( -2.964 1.931 -1.943) 4.036 1.097 ( -4.768 3.706 0.590) 6.068 1.152 ( -3.942 -1.798 3.356) 5.481 1.369 ( -1.184 1.210 -2.159) 2.744 1.437 ( -1.710 -0.278 -0.126) 1.737 1.536 ( -5.331 2.104 1.975) 6.062 1.547 ( 1.764 0.928 -2.031) 2.846 1.674 ( 1.905 2.603 -0.829) 3.330 1.814 ( -3.479 2.358 3.564) 5.510 1.900 ( 1.525 0.765 -4.620) 4.925 2.072 ( -1.320 1.582 3.920) 4.428 2.236 ( 1.933 0.191 0.099) 1.945 2.339 ( -10.772 12.109 5.740) 17.193 2.699 ( -5.473 0.358 -1.092) 5.592 2.728 ( -5.635 4.951 -1.681) 7.687 2.852 ( -1.402 2.996 -5.289) 6.239 3.003 ( -1.918 4.153 0.498) 4.602 3.109 ( 1.927 4.854 -4.820) 7.106 3.470 ( -1.548 0.246 0.131) 1.573 3.729 ( -3.854 -1.846 -0.689) 4.328 4.664 ( 10.649 -4.754 2.435) 11.913 4.961 ( 6.684 -6.846 -2.904) 9.998 5.742 ( -1.041 -4.919 -1.032) 5.133 5.907 ( -8.026 -3.957 4.226) 9.896 6.040 ( 9.730 0.164 -2.601) 10.073 6.373 ( 6.812 4.956 -1.342) 8.530 6.507 ( -7.751 1.160 1.056) 7.908 6.710 ( -3.079 0.786 -0.480) 3.214 7.374 ( -0.474 1.177 2.080) 2.437 7.408 ( -0.712 -0.845 2.641) 2.863 7.479 ( 0.815 0.878 -1.587) 1.989 7.507 ( 0.060 -0.021 -2.201) 2.202 7.775 ( 0.275 0.494 -0.355) 0.668 7.806 ( -1.115 0.969 -0.135) 1.483 ======================= Grid point 139 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -12.023 0.609 12.730) 17.521 0.787 ( -4.538 -0.333 14.773) 15.457 0.937 ( -6.876 3.001 -0.772) 7.542 1.031 ( 2.474 5.007 1.981) 5.926 1.167 ( 0.308 -2.010 0.810) 2.189 1.324 ( -1.540 1.886 0.142) 2.439 1.417 ( -3.170 -0.892 0.745) 3.376 1.452 ( -5.061 -0.610 5.780) 7.707 1.546 ( 0.403 2.935 -4.433) 5.332 1.645 ( 0.169 2.144 -0.544) 2.219 1.798 ( 1.621 -1.431 3.972) 4.522 1.883 ( -1.428 2.082 -3.188) 4.067 1.957 ( -1.689 5.758 4.427) 7.457 2.182 ( -1.390 2.630 2.354) 3.794 2.290 ( 3.176 -1.838 -0.913) 3.781 2.571 ( -5.273 3.137 -4.977) 7.900 2.614 ( -2.612 2.481 0.082) 3.604 2.768 ( -3.360 2.279 -1.958) 4.508 2.948 ( -0.767 1.840 0.499) 2.055 3.055 ( 1.734 4.271 -6.156) 7.691 3.469 ( 0.985 -0.326 1.201) 1.587 3.673 ( -5.010 -0.383 -1.682) 5.299 4.845 ( 5.528 -2.191 4.172) 7.264 5.126 ( 5.902 -4.836 -5.174) 9.219 5.796 ( 0.609 -3.140 -0.142) 3.202 5.840 ( -5.128 -1.448 2.058) 5.712 6.196 ( 9.092 -2.209 -2.854) 9.783 6.361 ( -6.802 1.923 0.296) 7.075 6.420 ( 3.926 2.739 1.367) 4.979 6.629 ( -5.348 1.353 -0.583) 5.548 7.363 ( -0.189 0.568 2.206) 2.285 7.414 ( -1.044 -0.635 2.819) 3.073 7.480 ( 0.920 0.470 -1.712) 2.000 7.500 ( 0.255 0.179 -2.254) 2.276 7.773 ( -0.548 0.440 -0.071) 0.706 7.777 ( -0.190 0.592 -0.379) 0.728 ======================= Grid point 141 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 8.138 -0.000 7.229) 10.885 0.917 ( 11.346 -0.000 5.367) 12.551 1.136 ( 0.849 -0.000 3.104) 3.218 1.193 ( 3.968 -0.000 -0.071) 3.969 1.214 ( 6.564 -0.000 3.116) 7.266 1.252 ( -0.400 0.000 5.234) 5.250 1.383 ( 5.029 -0.000 -6.052) 7.869 1.467 ( -2.524 0.000 -0.271) 2.538 1.522 ( 4.662 -0.000 4.723) 6.636 1.680 ( 0.800 -0.000 -5.150) 5.211 1.826 ( 1.756 -0.000 -1.011) 2.026 1.841 ( -1.153 0.000 2.965) 3.181 2.126 ( 7.981 -0.000 7.143) 10.711 2.145 ( 0.125 -0.000 3.007) 3.010 2.341 ( 0.124 -0.000 1.838) 1.842 2.553 ( 5.928 -0.000 -6.550) 8.834 2.759 ( 7.791 -0.000 -3.802) 8.669 2.843 ( 5.238 -0.000 -3.588) 6.349 2.961 ( 1.897 -0.000 -0.136) 1.902 3.020 ( -0.189 0.000 -4.635) 4.638 3.491 ( -0.139 0.000 -3.379) 3.381 3.660 ( 5.318 -0.000 2.698) 5.963 4.833 ( -6.749 0.000 5.404) 8.646 4.955 ( -10.815 0.000 -6.156) 12.444 5.822 ( 5.020 -0.000 0.225) 5.025 5.887 ( -12.046 0.000 3.923) 12.669 6.139 ( 9.121 -0.000 -4.000) 9.959 6.214 ( -9.170 0.000 0.383) 9.178 6.591 ( 5.324 -0.000 -2.011) 5.691 6.621 ( 3.222 -0.000 2.703) 4.205 7.388 ( -0.454 0.000 2.488) 2.529 7.394 ( 0.479 -0.000 2.045) 2.100 7.465 ( 0.132 -0.000 -2.389) 2.393 7.535 ( 1.218 -0.000 -1.653) 2.053 7.756 ( 0.831 -0.000 -0.171) 0.848 7.800 ( 0.709 -0.000 -0.145) 0.724 ======================= Grid point 142 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 7.830 0.683 3.503) 8.605 1.061 ( 3.902 -1.783 1.743) 4.630 1.144 ( 3.661 4.186 2.969) 6.303 1.250 ( 2.263 0.195 2.961) 3.732 1.279 ( 2.090 -1.072 4.035) 4.669 1.338 ( 6.349 -1.463 0.027) 6.516 1.419 ( 0.057 2.446 -0.501) 2.498 1.462 ( 5.410 -1.539 -4.060) 6.936 1.613 ( 3.431 -2.310 0.397) 4.155 1.679 ( 0.005 -0.747 -3.515) 3.594 1.800 ( 0.972 2.274 -0.920) 2.638 1.905 ( 1.230 -3.729 0.258) 3.935 2.159 ( 2.303 -0.160 3.831) 4.473 2.298 ( 5.182 2.044 -0.136) 5.572 2.361 ( 4.804 -3.532 10.929) 12.450 2.631 ( 4.849 -0.920 -3.044) 5.799 2.845 ( 6.378 2.669 -3.430) 7.718 2.941 ( 6.285 -2.996 -3.597) 7.837 3.000 ( 1.896 -0.855 -0.486) 2.136 3.045 ( 2.051 -5.447 -3.096) 6.593 3.502 ( 2.703 0.140 -3.846) 4.702 3.740 ( 4.423 0.374 2.122) 4.920 4.700 ( -8.679 3.660 1.666) 9.565 4.763 ( -11.795 1.119 -2.783) 12.170 5.719 ( -10.180 0.516 2.904) 10.599 5.891 ( 4.357 1.533 0.942) 4.714 6.079 ( -8.108 -0.962 -0.722) 8.196 6.262 ( 6.811 -0.732 -2.907) 7.441 6.646 ( 4.051 0.771 -0.271) 4.133 6.681 ( 1.653 -1.333 1.555) 2.632 7.384 ( -0.529 0.084 1.909) 1.983 7.413 ( 1.188 0.270 1.932) 2.284 7.467 ( 0.392 -0.678 -2.137) 2.276 7.543 ( 0.773 0.488 -1.741) 1.966 7.777 ( 1.485 -0.528 -0.694) 1.722 7.809 ( 0.547 0.001 0.268) 0.609 ======================= Grid point 143 (68/114) ======================= q-point: ( 0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 2.842 3.320 2.938) 5.266 1.091 ( -1.080 0.116 0.328) 1.134 1.146 ( 2.713 5.070 5.931) 8.261 1.258 ( 1.191 3.356 2.054) 4.112 1.338 ( 0.902 0.163 2.023) 2.221 1.370 ( 2.055 0.708 -0.953) 2.374 1.467 ( 3.505 -1.943 -2.520) 4.733 1.532 ( 1.248 -1.787 -0.778) 2.314 1.676 ( 0.170 0.295 0.812) 0.881 1.702 ( 6.528 -0.022 -1.053) 6.613 1.804 ( 1.871 -0.205 -3.462) 3.941 1.958 ( 1.166 -2.161 -0.531) 2.513 2.206 ( 0.591 -1.614 1.896) 2.559 2.242 ( -0.431 7.355 1.548) 7.528 2.595 ( 9.331 -5.227 4.379) 11.557 2.695 ( 2.874 -1.112 -0.620) 3.143 2.897 ( 4.951 0.061 -1.213) 5.098 3.024 ( 2.002 0.235 -1.030) 2.264 3.028 ( 2.825 -0.312 -0.377) 2.868 3.205 ( 6.451 -6.898 -2.118) 9.679 3.531 ( 3.389 1.191 -3.616) 5.096 3.775 ( 1.337 2.700 1.436) 3.338 4.548 ( -6.168 -0.187 -2.820) 6.784 4.559 ( -10.702 3.323 1.654) 11.327 5.597 ( -8.084 -2.234 0.999) 8.446 5.898 ( -5.518 -1.859 3.875) 6.994 6.018 ( 2.203 1.740 -3.065) 4.156 6.349 ( 5.999 0.844 -1.814) 6.324 6.694 ( 2.529 -0.186 -0.122) 2.538 6.701 ( -0.733 -0.180 1.445) 1.631 7.382 ( -0.372 0.035 1.800) 1.838 7.430 ( 1.276 0.760 1.298) 1.973 7.479 ( 0.503 -0.878 -1.773) 2.041 7.535 ( 0.281 0.964 -1.778) 2.042 7.800 ( 0.999 0.164 -0.372) 1.079 7.820 ( 0.881 -0.312 -0.182) 0.953 ======================= Grid point 144 (69/114) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.319 4.126 4.424) 6.058 1.052 ( -2.545 1.023 1.147) 2.972 1.124 ( 1.646 6.455 6.479) 9.293 1.225 ( -0.819 1.975 0.077) 2.140 1.302 ( -0.859 3.657 0.229) 3.764 1.410 ( 2.251 0.367 -1.158) 2.558 1.493 ( -0.826 0.065 -1.133) 1.403 1.538 ( -1.987 -0.701 -0.310) 2.130 1.684 ( 1.100 0.961 1.174) 1.874 1.770 ( 4.521 2.995 -0.974) 5.510 1.836 ( 2.532 -0.613 -0.946) 2.772 2.004 ( 1.880 -1.666 -0.292) 2.529 2.120 ( -1.624 7.846 -0.093) 8.013 2.234 ( 0.660 -0.214 0.871) 1.114 2.689 ( 0.098 0.791 0.550) 0.968 2.763 ( 1.084 -2.029 -0.531) 2.361 2.973 ( 5.853 2.039 -2.974) 6.875 2.993 ( -1.920 4.471 1.543) 5.105 3.095 ( 5.371 -0.664 -0.271) 5.419 3.323 ( 2.047 1.030 -0.199) 2.300 3.542 ( 1.232 1.200 -3.339) 3.756 3.706 ( -3.382 3.922 1.745) 5.465 4.424 ( -3.065 0.079 3.388) 4.569 4.553 ( 0.574 -8.334 -4.246) 9.370 5.547 ( -5.055 -4.981 -0.943) 7.159 5.829 ( -10.842 -5.730 4.312) 12.999 6.053 ( 8.313 4.730 -2.683) 9.933 6.411 ( 5.257 1.715 -0.644) 5.567 6.665 ( -2.952 1.588 0.391) 3.375 6.726 ( 0.475 -0.623 0.448) 0.903 7.382 ( -0.397 -0.113 2.003) 2.045 7.436 ( 0.930 1.417 1.076) 2.008 7.491 ( 0.405 -0.707 -1.813) 1.988 7.519 ( 0.232 1.102 -1.778) 2.105 7.801 ( 0.219 0.760 0.374) 0.874 7.836 ( 0.924 0.127 -0.970) 1.346 ======================= Grid point 145 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -2.205 5.114 5.343) 7.717 1.010 ( -1.210 3.912 2.180) 4.638 1.067 ( -2.585 1.205 4.385) 5.231 1.175 ( -2.667 2.865 0.657) 3.969 1.235 ( 0.725 6.137 1.554) 6.372 1.405 ( -0.050 1.872 -1.850) 2.632 1.457 ( -2.080 1.010 0.384) 2.344 1.514 ( -0.862 -0.362 -2.397) 2.573 1.672 ( -0.427 3.065 1.856) 3.609 1.756 ( 1.622 4.607 -1.001) 4.986 1.867 ( 1.372 1.261 1.298) 2.271 2.000 ( 0.167 6.465 -2.700) 7.008 2.063 ( 2.194 -1.047 1.700) 2.967 2.242 ( -0.016 -0.118 0.281) 0.306 2.616 ( -5.308 6.297 1.686) 8.406 2.739 ( -3.711 1.542 -0.084) 4.019 2.870 ( -3.645 7.194 3.337) 8.728 2.975 ( 3.324 5.790 -5.459) 8.624 3.156 ( 2.226 5.206 -1.776) 5.934 3.238 ( -0.299 6.240 -0.031) 6.247 3.499 ( -1.982 2.178 -2.144) 3.642 3.664 ( -2.469 -2.491 0.543) 3.549 4.508 ( 6.386 -6.391 1.838) 9.220 4.714 ( 3.186 -11.438 -2.452) 12.124 5.574 ( -0.907 -6.754 -2.616) 7.300 5.761 ( -11.002 -6.837 4.499) 13.712 6.117 ( 9.399 4.586 -2.037) 10.654 6.456 ( 3.317 1.683 0.812) 3.807 6.578 ( -3.709 3.478 -0.656) 5.127 6.722 ( -1.761 0.046 0.327) 1.791 7.384 ( -0.680 -0.229 2.423) 2.527 7.426 ( 0.321 1.889 1.350) 2.344 7.499 ( 0.289 -0.447 -2.160) 2.224 7.507 ( 0.632 1.010 -1.774) 2.137 7.793 ( 0.137 0.831 0.265) 0.883 7.834 ( 0.128 1.049 -0.858) 1.361 ======================= Grid point 146 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -1.710 5.314 7.897) 9.671 0.887 ( -4.238 7.195 5.389) 9.938 1.063 ( -4.724 5.280 0.559) 7.107 1.076 ( -0.623 -3.311 0.340) 3.386 1.187 ( 2.878 6.166 2.534) 7.261 1.376 ( 0.932 2.010 -3.447) 4.098 1.422 ( -0.851 1.149 1.151) 1.835 1.492 ( -2.873 0.880 -0.506) 3.047 1.612 ( 1.125 4.718 1.349) 5.034 1.720 ( 0.001 2.687 -2.496) 3.668 1.843 ( 0.032 3.964 3.175) 5.079 1.926 ( -0.281 3.579 -1.739) 3.989 2.111 ( 2.523 1.512 2.314) 3.742 2.240 ( -1.351 -0.999 0.221) 1.695 2.386 ( -6.465 12.594 5.878) 15.328 2.646 ( -4.049 3.118 -0.639) 5.150 2.745 ( -3.246 5.229 1.738) 6.395 2.894 ( 1.123 8.095 -6.597) 10.503 3.045 ( -1.571 5.671 1.656) 6.113 3.207 ( 3.501 6.167 -6.924) 9.911 3.461 ( -0.281 -0.096 1.308) 1.342 3.649 ( -3.356 -1.472 -1.321) 3.895 4.716 ( 5.871 -7.503 2.148) 9.767 4.905 ( 3.326 -11.331 -3.205) 12.236 5.669 ( 0.711 -6.156 -1.418) 6.357 5.717 ( -6.519 -7.464 2.483) 10.217 6.201 ( 9.194 2.924 -1.406) 9.749 6.410 ( -7.630 1.968 1.274) 7.983 6.526 ( 4.933 4.227 -0.759) 6.541 6.670 ( -4.060 1.364 0.165) 4.286 7.379 ( -0.944 0.137 2.536) 2.710 7.412 ( 0.038 1.204 2.071) 2.395 7.499 ( 0.285 0.147 -2.390) 2.412 7.501 ( 0.817 0.586 -1.847) 2.103 7.787 ( 0.303 0.665 -0.112) 0.739 7.810 ( -0.568 1.647 -0.439) 1.797 ======================= Grid point 147 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.085 7.244 7.712) 10.581 0.818 ( -1.434 4.839 12.604) 13.577 0.945 ( 1.905 4.423 -1.562) 5.063 1.113 ( -1.336 -3.217 -0.038) 3.484 1.168 ( 2.329 3.678 3.251) 5.434 1.352 ( 1.745 3.684 -3.291) 5.239 1.399 ( -3.935 2.530 3.083) 5.603 1.409 ( -1.197 1.472 5.436) 5.758 1.597 ( 2.366 3.583 -4.540) 6.248 1.671 ( 0.385 1.538 -2.708) 3.138 1.818 ( -0.330 2.152 2.637) 3.420 1.882 ( -0.674 0.674 -1.663) 1.917 2.058 ( 0.060 9.056 8.398) 12.351 2.216 ( -0.628 2.319 1.807) 3.006 2.285 ( 0.657 -0.951 0.071) 1.159 2.551 ( -0.929 3.874 -3.353) 5.207 2.660 ( -1.108 2.478 1.244) 2.986 2.802 ( 3.128 7.045 -5.262) 9.333 2.980 ( -0.065 3.560 0.984) 3.694 3.134 ( 1.438 6.455 -7.309) 9.857 3.495 ( 2.786 -0.754 2.299) 3.690 3.598 ( -3.668 0.123 -2.393) 4.381 4.847 ( -0.555 -5.237 4.050) 6.643 5.069 ( 0.934 -8.723 -5.603) 10.410 5.682 ( -4.682 -5.843 3.633) 8.322 5.838 ( 6.654 -5.135 -3.463) 9.090 6.241 ( -8.736 2.361 1.462) 9.167 6.309 ( 6.392 0.947 -1.106) 6.556 6.552 ( 5.014 3.704 0.579) 6.261 6.572 ( -5.348 2.240 -0.163) 5.801 7.372 ( -0.446 0.267 2.472) 2.526 7.406 ( -0.588 0.344 2.487) 2.579 7.489 ( 0.171 0.677 -2.359) 2.461 7.506 ( 1.049 0.044 -1.903) 2.174 7.777 ( -0.505 1.617 -0.001) 1.694 7.786 ( 0.427 0.350 -0.427) 0.698 ======================= Grid point 150 (73/114) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 5.781 -0.000 -1.511) 5.975 1.076 ( -0.423 0.000 1.000) 1.086 1.216 ( 0.522 -0.000 2.437) 2.492 1.316 ( 3.036 -0.000 3.439) 4.587 1.349 ( 8.436 -0.000 3.866) 9.280 1.383 ( 1.494 -0.000 0.052) 1.495 1.462 ( 2.693 -0.000 -3.601) 4.497 1.484 ( 0.716 -0.000 -2.559) 2.657 1.689 ( 3.463 -0.000 -2.663) 4.368 1.704 ( 9.193 -0.000 -1.081) 9.256 1.837 ( -0.365 0.000 -1.771) 1.808 1.872 ( 0.657 -0.000 3.322) 3.386 2.181 ( 0.407 -0.000 1.360) 1.420 2.345 ( -1.147 0.000 5.594) 5.711 2.521 ( 13.149 -0.000 6.673) 14.745 2.686 ( 3.759 -0.000 -1.304) 3.978 2.910 ( 2.369 -0.000 -2.394) 3.368 3.010 ( 1.681 -0.000 -1.655) 2.359 3.056 ( 4.583 -0.000 -0.076) 4.584 3.060 ( 12.088 -0.000 -4.064) 12.753 3.555 ( 5.370 -0.000 -4.464) 6.983 3.804 ( 3.042 -0.000 1.505) 3.394 4.566 ( -11.627 0.000 -7.393) 13.778 4.594 ( -11.433 0.000 5.985) 12.905 5.576 ( -9.260 0.000 1.690) 9.413 5.843 ( -11.766 0.000 3.754) 12.350 6.061 ( 6.803 -0.000 -3.223) 7.528 6.358 ( 6.558 -0.000 -2.156) 6.904 6.692 ( 0.476 -0.000 2.308) 2.357 6.698 ( 1.901 -0.000 -0.349) 1.933 7.384 ( -0.263 0.000 1.611) 1.633 7.442 ( 1.583 -0.000 1.494) 2.177 7.464 ( 0.698 -0.000 -2.020) 2.137 7.549 ( 0.269 -0.000 -1.734) 1.755 7.800 ( 2.332 -0.000 -1.300) 2.670 7.817 ( 0.317 -0.000 0.660) 0.733 ======================= Grid point 151 (74/114) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -2.504 0.744 1.288) 2.913 1.079 ( 1.171 2.360 -0.576) 2.697 1.209 ( -0.264 1.001 2.020) 2.270 1.344 ( 0.930 4.025 0.225) 4.138 1.382 ( 1.666 1.252 0.834) 2.245 1.467 ( 0.761 0.378 -1.713) 1.912 1.484 ( 7.398 1.640 0.459) 7.592 1.492 ( -0.284 -1.226 -1.685) 2.103 1.730 ( 3.609 3.315 0.949) 4.992 1.819 ( 1.311 0.545 -1.712) 2.224 1.838 ( 8.806 -0.108 -1.432) 8.923 1.928 ( 1.359 -3.347 1.243) 3.820 2.190 ( -0.641 -1.002 0.409) 1.257 2.310 ( -2.278 3.705 5.100) 6.703 2.696 ( 6.047 -0.427 1.385) 6.218 2.726 ( 2.016 0.031 -0.175) 2.024 2.984 ( 8.660 -0.730 0.660) 8.716 3.048 ( 2.911 0.051 0.111) 2.913 3.114 ( 5.160 1.920 -0.689) 5.548 3.248 ( 9.300 -3.593 -2.095) 10.188 3.609 ( 4.797 2.769 -4.271) 6.995 3.826 ( 0.508 2.478 0.919) 2.691 4.399 ( -7.934 -2.404 -7.711) 11.322 4.428 ( -12.140 -0.375 6.509) 13.780 5.468 ( -5.975 -1.046 -0.696) 6.105 5.687 ( -13.100 -3.849 3.655) 14.134 6.154 ( 8.271 2.332 -2.239) 8.880 6.437 ( 4.852 0.356 -0.706) 4.916 6.692 ( -1.192 0.449 1.106) 1.687 6.713 ( 0.236 -0.239 0.645) 0.727 7.385 ( -0.180 0.147 1.509) 1.527 7.464 ( 1.526 0.626 0.418) 1.701 7.474 ( 0.694 -0.469 -1.366) 1.602 7.542 ( -0.002 0.495 -1.713) 1.783 7.818 ( 0.329 0.509 0.647) 0.887 7.835 ( 2.132 -0.179 -1.437) 2.577 ======================= Grid point 152 (75/114) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -3.466 -0.526 2.489) 4.299 1.033 ( -0.105 5.307 1.617) 5.549 1.202 ( 0.152 1.612 0.530) 1.704 1.267 ( -0.880 5.685 -1.184) 5.873 1.368 ( 0.263 3.656 -0.608) 3.715 1.453 ( -2.697 -1.215 0.384) 2.983 1.505 ( 0.368 -0.838 -1.942) 2.147 1.527 ( 5.757 6.729 -0.193) 8.858 1.723 ( 0.960 2.631 1.319) 3.095 1.839 ( 1.914 1.160 2.207) 3.144 1.937 ( 6.496 3.178 -0.374) 7.241 2.007 ( 3.901 -2.848 -0.593) 4.867 2.168 ( -1.720 3.210 -0.378) 3.661 2.237 ( -2.124 1.669 1.626) 3.153 2.711 ( -0.393 2.207 0.770) 2.370 2.748 ( -0.553 -0.237 -0.464) 0.760 3.051 ( 1.546 4.424 0.922) 4.776 3.124 ( 6.147 5.290 -1.100) 8.184 3.186 ( 9.197 -1.588 0.297) 9.338 3.380 ( 4.206 0.827 -0.427) 4.308 3.579 ( 0.083 4.859 -3.674) 6.092 3.718 ( -5.663 7.481 1.246) 9.465 4.350 ( -3.714 -5.794 3.390) 7.672 4.404 ( -1.208 -11.006 -4.630) 12.001 5.432 ( -1.843 -3.515 -2.652) 4.773 5.578 ( -12.147 -6.376 3.888) 14.259 6.233 ( 8.470 3.672 -1.665) 9.380 6.485 ( 2.083 0.667 1.217) 2.503 6.652 ( -1.748 2.014 -0.339) 2.688 6.714 ( -1.214 -0.563 0.784) 1.551 7.383 ( -0.300 0.175 1.681) 1.716 7.472 ( 0.967 1.311 0.271) 1.651 7.484 ( 0.262 -0.464 -1.498) 1.590 7.531 ( 0.405 0.702 -1.704) 1.887 7.814 ( -0.077 0.671 0.913) 1.136 7.857 ( 1.610 0.643 -1.708) 2.434 ======================= Grid point 153 (76/114) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.344 4.495 1.863) 4.878 0.986 ( -1.575 -0.233 2.618) 3.064 1.129 ( -0.996 7.635 0.744) 7.735 1.200 ( -0.365 4.294 -0.745) 4.373 1.311 ( -1.245 2.804 0.605) 3.127 1.433 ( -1.639 -0.466 0.747) 1.861 1.469 ( 0.452 4.710 -2.931) 5.566 1.531 ( 3.450 2.712 -2.596) 5.098 1.707 ( 0.953 2.992 2.748) 4.173 1.830 ( 0.090 4.157 2.362) 4.782 1.950 ( 2.602 4.467 0.919) 5.250 2.068 ( -0.948 5.689 -0.823) 5.826 2.104 ( 4.443 -0.538 0.154) 4.478 2.213 ( -1.872 -1.158 -0.932) 2.391 2.647 ( -1.937 5.489 1.521) 6.016 2.715 ( -2.090 1.709 -0.149) 2.704 2.952 ( -2.539 10.673 4.093) 11.709 3.103 ( 2.795 6.312 -2.655) 7.396 3.262 ( -2.672 9.976 2.443) 10.612 3.345 ( 7.603 3.302 -2.071) 8.544 3.489 ( -3.299 3.907 -3.430) 6.157 3.605 ( -2.244 -1.005 -0.909) 2.622 4.477 ( 3.643 -10.468 0.796) 11.112 4.567 ( 0.826 -13.781 -2.142) 13.971 5.493 ( 0.512 -7.038 -1.891) 7.305 5.515 ( -7.743 -6.605 2.245) 10.422 6.304 ( 8.431 4.052 -1.183) 9.429 6.461 ( -4.644 1.758 2.148) 5.411 6.615 ( 1.788 2.482 -0.747) 3.149 6.691 ( -2.494 0.226 0.331) 2.526 7.380 ( -0.571 0.160 2.065) 2.148 7.460 ( 0.213 1.965 0.976) 2.205 7.487 ( 0.024 -0.586 -2.138) 2.217 7.526 ( 0.826 0.809 -1.769) 2.113 7.805 ( -0.170 0.694 0.734) 1.024 7.854 ( 0.658 1.585 -1.457) 2.251 ======================= Grid point 154 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 2.901 5.782 2.305) 6.867 0.956 ( -1.681 3.354 2.489) 4.502 1.048 ( 0.916 2.984 2.835) 4.217 1.121 ( 0.868 6.498 -1.960) 6.842 1.262 ( -1.161 3.360 1.845) 4.006 1.411 ( -0.038 1.859 -2.715) 3.291 1.423 ( -1.745 -0.147 -0.267) 1.772 1.529 ( 3.106 4.339 -2.317) 5.817 1.682 ( 1.251 3.667 1.964) 4.344 1.762 ( -0.382 5.645 -0.769) 5.710 1.917 ( 0.453 4.410 2.134) 4.920 1.968 ( -2.120 5.349 0.513) 5.776 2.169 ( -0.365 -2.690 0.769) 2.821 2.204 ( 2.479 1.437 -1.299) 3.146 2.517 ( -0.709 13.035 6.122) 14.418 2.653 ( -0.828 3.521 -0.488) 3.650 2.764 ( -5.414 7.424 4.489) 10.226 3.027 ( 1.702 8.335 -4.881) 9.808 3.110 ( -1.377 6.564 2.202) 7.059 3.327 ( 1.542 8.262 -7.524) 11.280 3.471 ( 3.312 -1.128 2.290) 4.182 3.588 ( -1.992 -0.866 -2.470) 3.289 4.652 ( 0.067 -9.186 1.569) 9.320 4.762 ( 1.356 -14.153 -3.439) 14.628 5.495 ( -6.462 -7.855 3.715) 10.828 5.656 ( 6.971 -7.573 -3.333) 10.819 6.328 ( -7.715 3.583 0.992) 8.564 6.375 ( 7.539 3.545 -0.797) 8.369 6.608 ( -2.397 1.043 1.092) 2.833 6.648 ( 1.235 2.620 -0.534) 2.946 7.375 ( -0.702 0.145 2.405) 2.510 7.438 ( -0.278 1.815 1.648) 2.468 7.490 ( 0.291 -0.551 -2.436) 2.514 7.521 ( 0.607 0.889 -1.865) 2.153 7.797 ( -0.076 0.482 0.360) 0.606 7.830 ( 0.058 2.202 -0.959) 2.402 ======================= Grid point 155 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 6.485 6.533 -0.120) 9.206 0.916 ( 0.177 5.242 9.421) 10.782 1.056 ( -1.189 -0.350 -0.135) 1.247 1.088 ( 7.895 4.770 0.329) 9.229 1.204 ( -1.422 1.652 1.585) 2.695 1.370 ( -2.624 1.198 1.424) 3.217 1.401 ( -0.542 0.985 1.379) 1.779 1.501 ( 3.175 5.822 -2.373) 7.043 1.673 ( 2.057 3.456 -2.960) 4.994 1.690 ( 1.089 2.699 -2.645) 3.933 1.860 ( -1.919 3.547 1.833) 4.430 1.880 ( -1.232 3.160 0.938) 3.519 2.167 ( -1.577 -0.327 1.879) 2.475 2.241 ( 2.949 1.445 -0.094) 3.286 2.359 ( 1.195 12.057 9.178) 15.200 2.614 ( 2.360 4.306 -1.985) 5.296 2.672 ( 0.380 1.447 1.054) 1.830 2.944 ( 3.208 6.766 -5.038) 9.025 3.039 ( 0.337 4.540 1.196) 4.707 3.216 ( 0.146 7.093 -5.959) 9.266 3.529 ( 0.112 0.428 -0.315) 0.543 3.575 ( 2.942 -0.388 -0.522) 3.013 4.731 ( -3.899 -7.173 2.040) 8.416 4.904 ( -4.336 -10.772 -3.474) 12.120 5.560 ( 0.318 -7.989 1.946) 8.228 5.857 ( 7.282 -6.766 -1.595) 10.067 6.150 ( -8.615 3.970 -0.286) 9.490 6.426 ( 2.965 3.791 1.206) 4.961 6.530 ( -2.173 1.368 -1.140) 2.809 6.656 ( 3.084 2.532 0.762) 4.062 7.373 ( -0.365 -0.081 2.582) 2.609 7.416 ( -0.657 1.236 1.898) 2.358 7.493 ( 0.421 0.267 -2.384) 2.436 7.515 ( 0.588 0.113 -1.884) 1.977 7.791 ( -0.136 0.695 -0.120) 0.718 7.802 ( 0.425 1.650 -0.308) 1.731 ======================= Grid point 159 (79/114) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -4.060 0.000 2.390) 4.711 1.119 ( 1.358 -0.000 -2.271) 2.646 1.208 ( -1.114 0.000 3.277) 3.461 1.365 ( -1.350 0.000 -0.215) 1.367 1.410 ( -3.217 0.000 -0.749) 3.303 1.452 ( 3.525 -0.000 1.932) 4.020 1.459 ( -1.268 0.000 -3.917) 4.117 1.621 ( 4.906 -0.000 -3.147) 5.829 1.825 ( 1.518 -0.000 2.800) 3.185 1.857 ( -0.267 0.000 4.537) 4.545 1.907 ( 11.315 -0.000 -3.486) 11.840 1.991 ( 6.304 -0.000 -1.277) 6.432 2.171 ( -0.634 0.000 -1.137) 1.302 2.302 ( -4.021 0.000 4.908) 6.344 2.743 ( 0.948 -0.000 -0.546) 1.094 2.745 ( 0.335 -0.000 0.395) 0.518 3.108 ( 4.496 -0.000 0.045) 4.496 3.139 ( 10.732 -0.000 1.400) 10.823 3.205 ( 5.059 -0.000 0.746) 5.113 3.360 ( 8.691 -0.000 -1.776) 8.871 3.700 ( 4.661 -0.000 -3.327) 5.727 3.856 ( 0.391 -0.000 -0.156) 0.421 4.230 ( -15.222 0.000 7.922) 17.160 4.246 ( -5.443 0.000 -8.803) 10.350 5.394 ( -2.224 0.000 -2.846) 3.612 5.478 ( -12.318 0.000 3.889) 12.917 6.285 ( 7.911 -0.000 -1.372) 8.029 6.493 ( 2.145 -0.000 1.068) 2.396 6.683 ( -0.782 0.000 -0.296) 0.836 6.700 ( -1.739 0.000 1.270) 2.153 7.387 ( -0.181 0.000 1.271) 1.284 7.474 ( 0.374 -0.000 -1.779) 1.818 7.493 ( 1.313 -0.000 0.342) 1.356 7.540 ( 0.081 -0.000 -1.516) 1.518 7.824 ( -0.271 0.000 1.238) 1.267 7.866 ( 2.374 -0.000 -2.150) 3.203 ======================= Grid point 160 (80/114) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.455 -0.300 3.519) 4.301 1.097 ( 0.137 3.811 -0.758) 3.888 1.210 ( -0.409 -0.522 2.000) 2.107 1.313 ( -0.750 3.471 -0.947) 3.675 1.370 ( -3.735 0.750 0.903) 3.915 1.415 ( -0.376 0.346 -2.451) 2.504 1.511 ( 1.899 -0.796 -0.125) 2.063 1.620 ( -0.692 2.407 -3.996) 4.716 1.823 ( 2.197 4.484 5.395) 7.352 1.879 ( 0.736 0.032 4.916) 4.971 2.046 ( 3.327 2.074 -1.918) 4.365 2.083 ( 10.305 -0.425 -2.505) 10.614 2.163 ( 0.236 -0.177 -3.294) 3.307 2.226 ( -4.477 2.675 1.942) 5.565 2.731 ( -0.613 1.628 0.480) 1.805 2.742 ( -0.415 0.463 -0.137) 0.637 3.148 ( 3.371 3.509 0.498) 4.892 3.218 ( 1.591 1.950 -0.820) 2.648 3.322 ( 7.761 -1.077 2.325) 8.173 3.465 ( 5.525 0.890 -1.042) 5.692 3.658 ( -2.183 9.971 -0.220) 10.210 3.753 ( -4.378 10.174 -0.835) 11.107 4.152 ( -6.779 -13.508 4.287) 15.709 4.252 ( 1.447 -8.813 -6.661) 11.141 5.347 ( -8.739 -3.197 3.710) 10.018 5.397 ( 1.159 -2.383 -3.848) 4.672 6.385 ( 7.547 1.754 -0.749) 7.784 6.494 ( -2.725 0.657 2.634) 3.846 6.660 ( -1.341 1.056 0.498) 1.777 6.686 ( -0.337 -0.457 -0.712) 0.911 7.386 ( -0.245 0.194 1.312) 1.348 7.473 ( -0.023 -0.334 -1.939) 1.967 7.502 ( 0.531 0.995 0.260) 1.158 7.539 ( 0.402 0.135 -1.377) 1.441 7.819 ( -0.556 0.293 1.319) 1.461 7.885 ( 1.557 0.660 -2.185) 2.763 ======================= Grid point 161 (81/114) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -0.791 -0.486 3.340) 3.466 1.046 ( 0.847 4.123 0.304) 4.220 1.195 ( -0.005 3.457 0.024) 3.457 1.260 ( 0.333 4.178 -1.950) 4.623 1.307 ( -2.242 0.601 2.849) 3.675 1.420 ( 1.110 -0.226 -0.612) 1.287 1.507 ( -1.164 4.182 -2.317) 4.921 1.558 ( -1.222 0.039 -2.641) 2.910 1.815 ( 1.395 4.191 6.429) 7.800 1.880 ( 0.184 2.422 2.819) 3.721 2.030 ( 0.730 3.689 -1.283) 3.973 2.100 ( -3.920 4.315 -0.772) 5.881 2.137 ( -1.343 0.401 -0.105) 1.406 2.232 ( 7.614 1.330 -4.673) 9.032 2.698 ( 0.507 2.951 0.690) 3.073 2.723 ( -0.011 1.770 -0.071) 1.771 3.093 ( -0.455 11.274 3.314) 11.760 3.179 ( -0.655 3.840 -0.863) 3.990 3.349 ( -6.409 13.192 4.540) 15.353 3.409 ( -2.074 -2.180 2.320) 3.800 3.532 ( -0.170 0.473 -2.288) 2.342 3.621 ( 4.966 8.707 -5.479) 11.424 4.325 ( -0.685 -17.303 0.439) 17.322 4.411 ( 2.696 -10.317 -3.083) 11.100 5.310 ( -5.265 -5.557 3.677) 8.493 5.487 ( 6.096 -4.804 -4.176) 8.814 6.409 ( -6.547 2.376 1.874) 7.212 6.463 ( 7.190 2.713 -0.405) 7.695 6.619 ( -3.848 -0.015 1.781) 4.240 6.695 ( 2.143 1.024 -1.346) 2.730 7.382 ( -0.365 0.366 1.679) 1.756 7.473 ( 0.055 -0.615 -2.123) 2.211 7.486 ( -0.330 1.675 0.677) 1.837 7.538 ( 0.308 0.310 -1.517) 1.579 7.809 ( -0.687 0.352 1.125) 1.364 7.881 ( 0.600 1.503 -1.866) 2.469 ======================= Grid point 162 (82/114) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -0.919 -0.087 2.930) 3.072 1.028 ( 2.677 3.213 0.943) 4.287 1.138 ( 1.483 5.266 0.060) 5.471 1.223 ( 2.870 3.756 -1.706) 5.026 1.290 ( -1.020 1.722 2.864) 3.494 1.394 ( -3.338 3.699 -2.324) 5.498 1.435 ( 1.347 1.513 0.133) 2.030 1.554 ( -0.443 -1.170 -2.350) 2.662 1.778 ( 0.049 4.321 2.947) 5.230 1.840 ( 0.665 5.999 1.004) 6.119 1.971 ( -1.907 5.108 -0.612) 5.487 1.990 ( -2.738 3.012 0.506) 4.101 2.098 ( -3.680 -1.178 0.416) 3.886 2.284 ( 4.007 2.275 -3.042) 5.521 2.683 ( 2.735 4.573 0.655) 5.369 2.701 ( 1.522 2.089 0.175) 2.590 2.861 ( -3.292 17.117 7.353) 18.918 3.102 ( -1.288 4.887 -2.091) 5.469 3.176 ( -1.715 5.820 0.746) 6.113 3.349 ( -4.872 1.178 0.059) 5.012 3.544 ( -0.130 -1.593 -2.513) 2.978 3.603 ( 6.741 6.362 -2.068) 9.497 4.519 ( -2.094 -12.779 0.388) 12.955 4.558 ( -0.382 -11.031 -2.797) 11.387 5.362 ( 0.844 -6.497 2.066) 6.869 5.668 ( 8.404 -6.976 -2.394) 11.181 6.259 ( -8.074 3.950 0.426) 8.999 6.523 ( 4.241 3.272 1.395) 5.535 6.555 ( -3.245 0.348 -0.231) 3.272 6.709 ( 1.979 1.436 -0.153) 2.450 7.377 ( -0.393 0.369 2.137) 2.204 7.456 ( -0.979 1.639 1.047) 2.178 7.481 ( 0.529 -0.731 -2.035) 2.226 7.529 ( -0.042 0.557 -1.725) 1.813 7.798 ( -0.563 0.164 0.733) 0.939 7.857 ( 0.083 1.999 -1.324) 2.399 ======================= Grid point 163 (83/114) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -0.168 -1.535 5.009) 5.241 1.021 ( 0.631 4.441 2.564) 5.166 1.101 ( 1.101 4.981 0.699) 5.148 1.213 ( -0.300 2.230 0.261) 2.266 1.246 ( 4.244 2.100 0.043) 4.735 1.362 ( 1.000 -0.212 0.291) 1.063 1.423 ( 1.029 2.650 0.224) 2.851 1.552 ( -0.399 0.280 -1.534) 1.610 1.734 ( 0.313 3.590 -2.061) 4.151 1.760 ( -0.523 5.749 0.340) 5.783 1.872 ( -1.914 4.738 0.250) 5.116 1.912 ( -1.194 2.294 -0.077) 2.588 2.095 ( -2.426 -4.610 1.295) 5.368 2.278 ( -0.288 1.850 -0.855) 2.059 2.622 ( 3.755 12.651 4.692) 14.006 2.691 ( 0.400 3.801 0.182) 3.826 2.745 ( 6.519 3.627 1.027) 7.530 3.023 ( 0.042 3.957 -2.474) 4.667 3.100 ( -0.801 3.954 -0.376) 4.052 3.275 ( -0.821 3.168 -0.939) 3.405 3.527 ( -0.595 1.229 -2.966) 3.265 3.645 ( 4.717 0.871 0.692) 4.846 4.598 ( -3.252 -6.224 1.269) 7.136 4.652 ( -6.118 -10.898 -2.770) 12.801 5.511 ( 6.044 -7.074 0.096) 9.305 5.868 ( 4.978 -5.554 1.287) 7.569 6.089 ( -5.743 3.540 -2.220) 7.103 6.431 ( -6.692 3.011 1.723) 7.538 6.592 ( 5.663 1.831 -1.113) 6.054 6.714 ( 0.979 1.272 0.734) 1.765 7.376 ( -0.129 0.046 2.420) 2.424 7.424 ( -1.045 1.228 1.342) 2.098 7.495 ( 0.775 -0.507 -1.944) 2.153 7.515 ( -0.138 0.344 -1.866) 1.903 7.793 ( -0.265 -0.018 0.336) 0.428 7.830 ( 0.214 1.809 -0.778) 1.981 ======================= Grid point 168 (84/114) ======================= q-point: (-0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -0.397 -0.000 4.401) 4.419 1.120 ( -0.132 -0.000 -3.440) 3.443 1.196 ( -1.175 -0.000 5.182) 5.313 1.320 ( -1.440 -0.000 -0.327) 1.477 1.351 ( 0.238 -0.000 -0.770) 0.806 1.399 ( -0.241 0.000 -2.494) 2.506 1.528 ( 0.587 -0.000 1.831) 1.923 1.599 ( -2.545 -0.000 -2.879) 3.843 1.864 ( -1.483 -0.000 7.083) 7.237 1.903 ( -0.215 -0.000 3.978) 3.984 2.083 ( 0.665 -0.000 -2.488) 2.576 2.142 ( -0.302 -0.000 -2.348) 2.367 2.172 ( -5.258 -0.000 0.004) 5.258 2.262 ( 11.861 -0.000 -5.767) 13.189 2.737 ( -0.239 -0.000 0.197) 0.310 2.745 ( 0.516 0.000 0.023) 0.516 3.210 ( 1.268 -0.000 0.098) 1.271 3.235 ( -0.859 -0.000 -0.874) 1.225 3.368 ( -1.485 -0.000 2.976) 3.326 3.519 ( -0.071 -0.000 -2.323) 2.324 3.750 ( -0.260 0.000 4.565) 4.573 3.821 ( -1.855 -0.000 -2.032) 2.751 3.880 ( -7.184 0.000 4.332) 8.389 4.233 ( 7.806 -0.000 -7.600) 10.894 5.233 ( -4.235 -0.000 3.782) 5.678 5.422 ( 5.342 -0.000 -4.645) 7.079 6.442 ( -5.724 -0.000 2.368) 6.194 6.500 ( 6.715 -0.000 -0.171) 6.718 6.617 ( -4.364 -0.000 1.978) 4.792 6.707 ( 2.380 -0.000 -1.716) 2.934 7.388 ( -0.165 -0.000 1.225) 1.236 7.464 ( -0.095 -0.000 -1.894) 1.896 7.513 ( -0.200 -0.000 0.037) 0.203 7.539 ( 0.068 -0.000 -1.107) 1.109 7.814 ( -0.944 -0.000 1.441) 1.723 7.902 ( 0.775 -0.000 -2.215) 2.346 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.085 0.374 4.076) 4.094 1.091 ( -0.021 1.832 -1.696) 2.496 1.214 ( 0.268 -0.952 2.985) 3.145 1.292 ( -1.319 0.857 0.085) 1.575 1.314 ( 0.603 3.947 -1.504) 4.267 1.431 ( 1.597 -2.398 -1.174) 3.111 1.526 ( -3.368 3.509 -1.833) 5.198 1.535 ( -0.157 0.385 1.824) 1.870 1.847 ( -2.535 1.285 4.710) 5.501 1.892 ( -2.481 -1.021 4.287) 5.058 2.038 ( -4.907 1.438 -1.935) 5.467 2.092 ( -1.079 3.268 -1.980) 3.971 2.126 ( -0.769 0.761 -2.004) 2.277 2.373 ( 7.075 3.474 -4.067) 8.869 2.732 ( 0.320 0.726 0.146) 0.807 2.750 ( 0.869 1.036 -0.092) 1.356 3.179 ( -3.332 3.730 -0.068) 5.002 3.194 ( -1.643 1.917 0.039) 2.525 3.305 ( -8.952 -1.833 3.279) 9.708 3.410 ( -9.050 6.538 1.061) 11.215 3.576 ( 2.778 10.841 0.390) 11.197 3.794 ( 3.731 5.660 -1.001) 6.852 4.050 ( -2.021 -19.618 1.109) 19.753 4.385 ( 8.566 -4.246 -4.717) 10.661 5.244 ( 2.224 -2.322 2.431) 4.031 5.529 ( 7.919 -3.042 -3.585) 9.210 6.338 ( -7.201 1.782 1.218) 7.517 6.550 ( -5.148 -0.296 1.356) 5.332 6.587 ( 5.623 1.314 0.701) 5.817 6.732 ( 1.632 0.398 -0.905) 1.908 7.387 ( -0.242 0.313 1.518) 1.569 7.461 ( 0.105 -0.435 -1.876) 1.929 7.496 ( -0.992 1.029 0.391) 1.482 7.535 ( -0.226 -0.080 -1.243) 1.266 7.801 ( -1.093 0.062 1.249) 1.661 7.895 ( -0.081 0.785 -1.879) 2.038 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -1.214 0.791 4.333) 4.569 1.075 ( 0.259 0.774 -0.250) 0.854 1.210 ( 0.356 2.608 0.954) 2.799 1.270 ( -0.547 0.544 -0.633) 0.997 1.314 ( 3.512 0.972 -0.242) 3.652 1.396 ( -4.568 5.283 -0.198) 6.986 1.481 ( 1.691 -0.726 -0.041) 1.841 1.522 ( -0.983 0.437 0.340) 1.129 1.789 ( -3.455 0.960 1.146) 3.764 1.879 ( -2.997 -0.019 2.437) 3.862 1.933 ( -4.994 0.928 -1.179) 5.214 2.034 ( -0.089 2.970 -1.397) 3.283 2.067 ( -2.449 5.194 0.854) 5.805 2.354 ( -0.414 4.834 -1.436) 5.060 2.728 ( 0.275 0.336 0.357) 0.562 2.748 ( 1.293 1.513 -0.518) 2.056 3.039 ( -2.709 9.154 1.092) 9.609 3.116 ( -4.014 2.414 -0.608) 4.723 3.216 ( -2.503 4.609 -1.640) 5.495 3.243 ( -7.475 -3.135 4.186) 9.122 3.532 ( 1.083 2.265 -1.571) 2.961 3.769 ( 3.581 6.267 -0.390) 7.229 4.254 ( -2.965 -15.748 0.938) 16.052 4.531 ( 6.608 -2.142 -3.314) 7.697 5.364 ( 7.662 -3.704 0.308) 8.516 5.707 ( 8.489 -5.620 -0.880) 10.218 6.193 ( -7.353 3.591 -0.517) 8.199 6.469 ( -6.470 0.203 1.768) 6.710 6.646 ( 4.893 1.849 -0.062) 5.231 6.738 ( 0.155 0.580 0.002) 0.600 7.383 ( -0.364 0.369 1.949) 2.017 7.456 ( -1.094 0.782 -0.205) 1.361 7.475 ( 0.075 -0.295 -0.672) 0.738 7.526 ( -0.319 0.199 -1.512) 1.558 7.790 ( -0.866 -0.145 0.829) 1.207 7.872 ( -0.514 1.210 -1.341) 1.878 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -1.887 -0.966 6.328) 6.673 1.055 ( -2.374 1.832 1.935) 3.569 1.158 ( -3.000 5.620 3.347) 7.196 1.237 ( -1.126 1.531 0.668) 2.014 1.288 ( 1.505 0.013 -1.112) 1.871 1.389 ( 2.890 -0.512 -1.260) 3.194 1.482 ( 0.837 1.950 0.135) 2.126 1.528 ( -0.334 -1.831 0.176) 1.870 1.734 ( -3.286 0.261 -0.277) 3.308 1.789 ( -4.021 4.291 -1.751) 6.135 1.892 ( -0.561 -1.993 -2.018) 2.891 1.938 ( -2.977 6.555 2.223) 7.535 2.022 ( -0.640 -1.180 2.165) 2.548 2.279 ( -2.453 1.647 -0.548) 3.005 2.729 ( -0.098 1.592 -0.382) 1.640 2.752 ( 2.971 1.596 -0.495) 3.409 2.921 ( 1.832 6.921 -0.751) 7.199 3.035 ( -4.017 0.221 -0.305) 4.035 3.109 ( -2.920 3.517 -0.028) 4.572 3.248 ( -2.044 -4.634 1.087) 5.180 3.523 ( 0.497 0.315 -2.075) 2.156 3.736 ( 2.004 4.936 0.620) 5.363 4.375 ( -4.112 -10.513 2.252) 11.511 4.614 ( 4.950 1.194 -3.627) 6.252 5.553 ( 9.861 -4.466 -1.204) 10.892 5.865 ( 0.565 -2.403 3.921) 4.633 6.061 ( -1.372 1.657 -3.774) 4.344 6.364 ( -6.382 1.306 1.135) 6.612 6.684 ( 3.453 1.600 -0.514) 3.841 6.724 ( -1.168 0.350 0.736) 1.424 7.382 ( -0.162 -0.015 2.228) 2.234 7.424 ( -1.290 0.997 1.027) 1.927 7.488 ( 0.439 -1.075 -1.452) 1.859 7.513 ( -0.086 0.508 -1.712) 1.788 7.785 ( -0.424 -0.416 0.448) 0.744 7.846 ( -0.360 1.070 -0.875) 1.429 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.830 0.000 3.749) 3.840 1.087 ( -0.834 0.000 -2.075) 2.236 1.221 ( -0.078 0.000 4.064) 4.064 1.284 ( -0.523 0.000 -0.861) 1.008 1.341 ( -0.326 0.000 0.856) 0.916 1.428 ( 2.192 -0.000 -2.598) 3.399 1.497 ( -3.690 0.000 -0.253) 3.699 1.545 ( -0.244 0.000 1.626) 1.645 1.809 ( -6.958 0.000 4.292) 8.175 1.836 ( -2.267 0.000 1.489) 2.712 1.949 ( -6.346 0.000 -1.537) 6.530 2.102 ( -1.078 0.000 -3.984) 4.127 2.125 ( 1.005 -0.000 0.110) 1.011 2.472 ( 2.478 -0.000 -1.252) 2.776 2.730 ( -0.717 0.000 0.016) 0.717 2.754 ( -2.027 0.000 0.181) 2.035 3.120 ( -12.689 0.000 5.695) 13.909 3.149 ( -4.646 0.000 -1.580) 4.907 3.153 ( -4.806 0.000 -0.404) 4.823 3.309 ( -8.213 0.000 -1.686) 8.384 3.737 ( -3.304 0.000 -3.480) 4.798 3.824 ( 0.781 -0.000 0.676) 1.033 3.932 ( 9.233 -0.000 4.107) 10.105 4.500 ( 10.567 -0.000 -3.862) 11.251 5.319 ( 8.754 -0.000 0.652) 8.778 5.624 ( 8.604 -0.000 -1.888) 8.809 6.246 ( -7.025 0.000 -0.058) 7.025 6.466 ( -6.408 0.000 1.831) 6.665 6.672 ( 4.395 -0.000 0.442) 4.417 6.745 ( -0.042 0.000 -0.386) 0.388 7.389 ( -0.496 0.000 1.620) 1.694 7.455 ( 0.215 -0.000 -1.707) 1.721 7.485 ( -1.544 0.000 0.728) 1.707 7.526 ( -0.298 0.000 -1.278) 1.312 7.787 ( -1.152 0.000 1.017) 1.537 7.888 ( -0.826 0.000 -1.530) 1.738 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -2.985 0.614 4.644) 5.554 1.067 ( -1.345 0.050 -0.547) 1.453 1.216 ( -1.839 -0.174 3.031) 3.550 1.273 ( 0.071 0.577 -0.692) 0.904 1.366 ( 2.765 -0.821 0.435) 2.917 1.381 ( -6.669 4.126 1.858) 8.059 1.477 ( 1.785 -1.183 -2.266) 3.118 1.526 ( -1.579 1.164 0.015) 1.961 1.718 ( -6.130 -0.574 2.730) 6.735 1.797 ( -5.453 -1.706 -1.713) 5.965 1.879 ( -2.249 -0.375 -0.080) 2.282 2.044 ( -2.200 3.486 -3.462) 5.383 2.126 ( 0.396 2.946 2.624) 3.965 2.382 ( -6.675 7.309 2.050) 10.109 2.708 ( -6.838 -4.142 1.526) 8.140 2.743 ( 1.639 -1.488 -0.306) 2.235 2.984 ( -9.325 -2.442 3.106) 10.128 3.047 ( -4.783 2.390 -1.611) 5.585 3.106 ( -4.654 -3.287 -1.095) 5.802 3.186 ( -5.919 1.124 -2.324) 6.457 3.617 ( -1.119 6.012 -2.551) 6.626 3.843 ( -0.096 0.812 -0.083) 0.821 4.142 ( 8.964 -5.486 2.923) 10.908 4.642 ( 9.567 0.482 -2.987) 10.034 5.485 ( 12.150 -0.768 -1.152) 12.228 5.767 ( 6.899 -3.166 1.664) 7.771 6.134 ( -4.991 2.290 -2.526) 6.045 6.371 ( -7.317 -0.353 1.942) 7.578 6.719 ( 1.927 0.874 -0.067) 2.117 6.730 ( -1.194 0.047 0.325) 1.238 7.383 ( -0.847 0.046 1.808) 1.997 7.450 ( -0.762 0.668 -0.345) 1.070 7.467 ( -0.520 -0.415 0.176) 0.688 7.519 ( -0.104 0.006 -1.512) 1.515 7.776 ( -0.768 -0.220 0.547) 0.968 7.866 ( -1.209 0.389 -1.001) 1.617 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -3.098 -0.848 6.879) 7.592 1.025 ( -4.620 1.404 2.809) 5.586 1.178 ( -4.783 3.245 3.667) 6.846 1.223 ( -3.609 1.769 2.514) 4.740 1.280 ( -1.500 -1.156 -0.240) 1.909 1.413 ( 0.750 -0.689 -0.435) 1.108 1.487 ( -1.121 0.612 -0.916) 1.572 1.509 ( 0.900 -1.260 -1.992) 2.523 1.665 ( -3.604 -1.492 0.414) 3.922 1.726 ( -5.982 -1.646 -0.963) 6.278 1.868 ( 0.784 0.005 -3.911) 3.989 1.932 ( -4.805 3.056 1.789) 5.969 2.072 ( -0.450 4.847 4.802) 6.838 2.248 ( -3.214 0.501 -0.199) 3.259 2.669 ( -8.385 -6.288 1.525) 10.591 2.791 ( 1.820 -0.532 -0.503) 1.962 2.894 ( -8.068 -2.634 2.473) 8.841 2.952 ( -3.004 1.580 -4.093) 5.317 3.098 ( -3.835 -2.876 -3.946) 6.209 3.116 ( -2.316 -3.733 1.042) 4.515 3.541 ( -1.271 2.043 -2.203) 3.262 3.806 ( -0.978 3.349 0.331) 3.505 4.327 ( 8.288 -1.742 2.803) 8.921 4.744 ( 8.379 3.370 -3.059) 9.536 5.677 ( 12.114 -0.999 -2.189) 12.351 5.845 ( -2.917 0.272 4.664) 5.508 6.069 ( 0.992 1.140 -2.997) 3.356 6.285 ( -4.331 -1.365 0.292) 4.551 6.680 ( -3.970 -0.081 0.557) 4.010 6.741 ( 1.147 0.709 -0.236) 1.368 7.379 ( -0.630 -0.536 1.961) 2.128 7.422 ( -1.117 1.105 1.420) 2.117 7.475 ( 0.125 -0.961 -1.075) 1.448 7.514 ( 0.143 0.183 -1.717) 1.733 7.774 ( -0.256 -0.509 0.167) 0.594 7.841 ( -1.062 0.206 -0.595) 1.235 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -4.964 0.000 6.456) 8.144 1.044 ( -2.052 0.000 0.673) 2.160 1.184 ( -3.112 0.000 2.342) 3.895 1.259 ( -3.584 0.000 1.437) 3.861 1.296 ( -8.175 0.000 2.312) 8.496 1.395 ( 1.435 -0.000 0.845) 1.665 1.485 ( 1.302 -0.000 -3.839) 4.054 1.509 ( -1.049 0.000 -1.615) 1.926 1.646 ( -3.596 0.000 2.547) 4.406 1.683 ( -6.723 0.000 -2.097) 7.042 1.862 ( 0.280 -0.000 -0.676) 0.731 2.028 ( -2.594 0.000 -3.301) 4.198 2.160 ( 0.485 -0.000 2.930) 2.970 2.355 ( -8.078 0.000 3.455) 8.786 2.409 ( -21.100 0.000 9.231) 23.030 2.769 ( 2.215 -0.000 0.220) 2.226 2.899 ( -3.225 0.000 -2.296) 3.958 2.942 ( -7.914 0.000 -4.591) 9.149 3.029 ( -3.246 0.000 -0.671) 3.315 3.102 ( -4.477 0.000 -2.621) 5.188 3.586 ( -5.030 0.000 -2.647) 5.684 3.840 ( -0.755 0.000 -0.369) 0.841 4.318 ( 14.180 -0.000 2.972) 14.488 4.784 ( 9.854 -0.000 -2.754) 10.232 5.676 ( 13.881 -0.000 -2.215) 14.056 5.826 ( 1.591 -0.000 5.115) 5.357 6.105 ( 1.487 -0.000 -5.601) 5.795 6.254 ( -8.619 0.000 2.419) 8.952 6.682 ( -4.354 0.000 0.773) 4.422 6.750 ( 0.620 -0.000 -0.458) 0.771 7.371 ( -1.193 0.000 1.771) 2.135 7.449 ( -1.366 0.000 2.377) 2.742 7.454 ( 0.350 -0.000 -1.604) 1.642 7.515 ( 0.084 -0.000 -1.737) 1.739 7.767 ( -0.300 0.000 0.053) 0.304 7.844 ( -1.644 0.000 -0.489) 1.716 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -4.420 -1.528 9.248) 10.363 0.978 ( -7.400 2.001 6.688) 10.173 1.122 ( -5.115 0.435 0.801) 5.196 1.177 ( -5.424 0.028 1.562) 5.644 1.215 ( -5.524 -1.129 0.894) 5.709 1.392 ( -2.009 -0.204 -0.687) 2.132 1.472 ( -0.993 1.264 -0.984) 1.884 1.518 ( 1.701 -1.080 -3.062) 3.665 1.596 ( -5.015 -1.036 -1.058) 5.229 1.630 ( -0.632 -1.399 0.826) 1.743 1.877 ( 1.653 -0.529 -2.666) 3.181 1.907 ( -7.018 5.915 2.554) 9.527 2.104 ( -6.522 1.216 7.313) 9.874 2.208 ( -0.299 -0.999 -0.302) 1.086 2.343 ( -12.973 -11.844 5.975) 18.554 2.778 ( -5.093 -1.857 1.661) 5.670 2.798 ( -4.196 2.124 -3.594) 5.919 2.866 ( -3.430 -2.370 -7.421) 8.512 2.993 ( -2.405 -1.823 -0.179) 3.024 3.064 ( -1.198 -2.433 -3.154) 4.160 3.509 ( -3.496 0.392 -1.117) 3.691 3.804 ( -2.854 1.198 -0.543) 3.143 4.521 ( 13.198 2.020 2.797) 13.642 4.907 ( 9.233 2.359 -3.011) 9.994 5.817 ( -3.286 1.123 3.516) 4.942 5.862 ( 12.497 1.034 -2.423) 12.771 6.082 ( -4.859 3.930 0.903) 6.314 6.219 ( 3.478 -5.302 -2.516) 6.822 6.604 ( -6.383 -0.007 1.250) 6.504 6.741 ( -1.469 -0.099 -0.825) 1.688 7.364 ( -0.805 -0.602 1.917) 2.165 7.428 ( -0.974 1.099 2.363) 2.782 7.463 ( 0.422 -0.786 -1.175) 1.476 7.511 ( 0.078 -0.063 -1.969) 1.972 7.768 ( 0.131 -0.296 -0.315) 0.452 7.819 ( -1.604 -0.263 -0.122) 1.630 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -5.184 0.000 14.154) 15.074 0.883 ( -9.441 0.000 11.778) 15.095 1.036 ( -6.131 0.000 -2.692) 6.696 1.062 ( -10.488 0.000 -0.468) 10.498 1.163 ( 0.470 -0.000 1.133) 1.226 1.348 ( -3.084 0.000 -0.243) 3.093 1.476 ( -3.470 0.000 1.979) 3.994 1.488 ( 1.445 -0.000 -4.643) 4.863 1.556 ( -2.231 0.000 0.914) 2.411 1.624 ( 0.511 -0.000 -0.317) 0.601 1.846 ( -9.603 0.000 9.816) 13.732 1.912 ( -4.076 0.000 -1.579) 4.371 1.914 ( -1.742 0.000 3.007) 3.475 2.192 ( -3.257 0.000 2.175) 3.916 2.238 ( 3.965 -0.000 0.279) 3.974 2.648 ( -7.525 0.000 -3.102) 8.139 2.717 ( -7.964 0.000 -4.730) 9.263 2.801 ( -2.056 0.000 -1.809) 2.739 2.953 ( -1.644 0.000 0.080) 1.646 3.024 ( 0.395 -0.000 -4.589) 4.606 3.471 ( -1.400 0.000 0.323) 1.437 3.753 ( -4.522 0.000 -1.215) 4.683 4.727 ( 10.529 -0.000 3.561) 11.115 5.053 ( 9.119 -0.000 -4.054) 9.979 5.800 ( -0.782 0.000 1.297) 1.515 5.959 ( -6.407 0.000 3.422) 7.264 6.083 ( 8.461 -0.000 -3.788) 9.270 6.267 ( 7.642 -0.000 -2.300) 7.980 6.501 ( -8.137 0.000 2.228) 8.436 6.695 ( -4.006 0.000 -1.146) 4.167 7.356 ( -0.413 0.000 2.065) 2.106 7.428 ( -1.152 0.000 2.966) 3.182 7.465 ( 1.044 -0.000 -1.549) 1.868 7.504 ( -0.049 0.000 -2.206) 2.206 7.769 ( 0.430 -0.000 -0.687) 0.811 7.791 ( -1.702 0.000 0.255) 1.721 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.641 -0.000 -2.458) 2.540 0.819 ( -0.641 0.000 2.458) 2.540 1.050 ( 3.778 -0.000 -5.498) 6.671 1.050 ( -3.778 0.000 5.498) 6.671 1.222 ( -0.623 0.000 -3.091) 3.153 1.222 ( 0.623 -0.000 3.091) 3.153 1.424 ( 5.086 -0.000 -4.118) 6.544 1.424 ( -5.086 0.000 4.118) 6.544 1.583 ( 0.950 -0.000 -5.728) 5.806 1.583 ( -0.950 0.000 5.728) 5.806 1.811 ( 1.951 -0.000 -2.983) 3.564 1.811 ( -1.951 0.000 2.983) 3.564 2.143 ( 0.215 -0.000 -6.807) 6.810 2.143 ( -0.215 0.000 6.807) 6.810 2.318 ( -1.683 0.000 -4.841) 5.125 2.318 ( 1.683 -0.000 4.841) 5.125 2.659 ( -3.795 0.000 -1.998) 4.289 2.659 ( 3.795 -0.000 1.998) 4.289 2.948 ( 0.449 -0.000 -1.724) 1.782 2.948 ( -0.449 0.000 1.724) 1.782 3.550 ( -4.533 0.000 -1.992) 4.952 3.550 ( 4.533 -0.000 1.992) 4.952 5.045 ( -0.293 0.000 -6.706) 6.713 5.045 ( 0.293 -0.000 6.706) 6.713 5.828 ( 5.500 -0.000 -2.967) 6.250 5.828 ( -5.500 0.000 2.967) 6.250 6.272 ( -8.565 0.000 2.428) 8.903 6.272 ( 8.565 -0.000 -2.428) 8.903 6.512 ( -5.513 0.000 -1.441) 5.698 6.512 ( 5.513 -0.000 1.441) 5.698 7.422 ( -0.127 0.000 -2.792) 2.795 7.422 ( 0.127 -0.000 2.792) 2.795 7.462 ( 1.457 -0.000 -2.313) 2.734 7.462 ( -1.457 0.000 2.313) 2.734 7.765 ( 0.816 -0.000 -0.643) 1.039 7.765 ( -0.816 0.000 0.643) 1.039 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 4.012 -0.474 5.319) 6.679 0.893 ( 6.254 -2.901 0.974) 6.963 1.040 ( 2.193 -1.157 -4.847) 5.445 1.075 ( 2.957 1.760 -4.987) 6.059 1.208 ( 0.915 -0.221 -4.280) 4.382 1.258 ( 1.631 -1.198 3.418) 3.972 1.390 ( -2.363 -2.109 3.848) 4.984 1.476 ( 1.520 0.098 0.194) 1.535 1.571 ( 0.425 0.580 -3.214) 3.293 1.610 ( 1.011 -1.526 2.898) 3.428 1.816 ( 0.221 -0.988 1.993) 2.235 1.842 ( 1.797 -0.370 -1.352) 2.279 2.150 ( 0.244 -2.105 -3.490) 4.083 2.213 ( 2.957 -4.716 0.416) 5.582 2.306 ( 1.416 -2.630 -7.261) 7.852 2.397 ( 4.232 -2.934 8.753) 10.155 2.638 ( 0.988 -1.202 -1.986) 2.523 2.743 ( 4.962 -1.735 -0.148) 5.259 2.967 ( 0.191 -2.491 0.276) 2.514 2.974 ( 0.771 -3.136 -0.487) 3.266 3.491 ( -2.669 -0.098 -1.093) 2.886 3.629 ( 5.225 0.350 2.443) 5.779 4.943 ( -7.097 4.652 -3.442) 9.158 5.015 ( -3.674 2.323 3.571) 5.626 5.767 ( -0.814 3.369 1.583) 3.810 5.914 ( 8.743 2.084 -3.855) 9.780 6.130 ( -10.683 0.430 3.249) 11.174 6.355 ( -0.500 -2.854 0.560) 2.951 6.466 ( 1.224 -0.259 -2.456) 2.756 6.611 ( 4.841 -1.949 1.123) 5.338 7.417 ( 0.057 -0.456 -2.583) 2.623 7.434 ( 0.131 -0.277 2.499) 2.517 7.447 ( -1.184 0.110 1.990) 2.318 7.475 ( 1.327 0.188 -2.255) 2.623 7.762 ( -0.347 -0.561 0.472) 0.811 7.782 ( 1.070 -0.439 -0.362) 1.212 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 2.976 -1.158 0.108) 3.196 1.027 ( 4.638 0.601 -1.337) 4.864 1.067 ( 4.742 -2.238 1.023) 5.343 1.164 ( 7.741 -2.190 -5.598) 9.801 1.232 ( 3.624 0.466 -3.881) 5.330 1.299 ( 0.785 -1.041 2.423) 2.751 1.421 ( 1.077 -1.052 1.033) 1.826 1.467 ( -2.086 -0.894 3.221) 3.940 1.601 ( 2.738 -3.307 -3.097) 5.294 1.650 ( 0.082 -2.063 1.512) 2.558 1.819 ( -2.550 -1.188 2.102) 3.512 1.873 ( 2.739 0.041 -1.116) 2.958 2.164 ( 0.896 0.934 -2.795) 3.080 2.239 ( -1.153 -0.262 -0.164) 1.194 2.476 ( 8.950 -8.792 -5.890) 13.860 2.565 ( 4.625 -7.097 10.527) 13.512 2.696 ( 4.781 -1.211 -0.924) 5.018 2.839 ( 4.035 -3.203 -2.691) 5.812 3.011 ( 0.101 -3.408 0.306) 3.423 3.052 ( 1.920 -6.111 -0.469) 6.423 3.470 ( -0.381 -0.309 -0.214) 0.535 3.701 ( 4.634 1.213 1.944) 5.170 4.727 ( -9.684 6.192 -2.976) 11.874 4.896 ( -6.819 5.260 2.615) 9.000 5.721 ( 3.036 6.733 0.984) 7.451 5.983 ( -10.596 -1.689 2.535) 11.025 5.995 ( 8.492 3.813 -3.822) 10.063 6.343 ( -7.500 -5.732 1.388) 9.541 6.536 ( 6.850 -0.057 -1.529) 7.019 6.695 ( 2.706 -1.480 0.956) 3.228 7.420 ( 0.038 -0.723 -1.436) 1.608 7.434 ( -0.955 -0.176 0.990) 1.387 7.449 ( 0.472 -0.104 1.663) 1.732 7.482 ( 0.953 0.385 -1.776) 2.052 7.771 ( 0.091 -0.951 -0.013) 0.956 7.803 ( 0.882 -0.485 0.132) 1.015 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 1.700 -0.843 -1.357) 2.333 1.059 ( 2.265 0.105 -1.722) 2.848 1.185 ( 3.037 -2.453 3.371) 5.158 1.221 ( 3.320 1.488 -5.238) 6.378 1.273 ( 3.413 1.876 -2.166) 4.457 1.338 ( 0.242 -0.271 1.719) 1.757 1.430 ( 0.860 -1.500 1.538) 2.314 1.511 ( 2.230 -2.850 0.011) 3.619 1.675 ( 0.276 -1.057 0.260) 1.123 1.686 ( 1.033 -3.815 -1.287) 4.157 1.818 ( -2.139 -4.418 2.935) 5.719 1.902 ( 2.516 1.210 -1.350) 3.101 2.125 ( -0.108 4.117 -2.939) 5.060 2.233 ( -0.584 -0.865 -0.330) 1.095 2.656 ( 4.544 -3.465 -0.996) 5.801 2.703 ( 0.544 -3.321 7.090) 7.848 2.818 ( 6.204 -3.191 0.862) 7.029 2.935 ( 4.120 -3.432 -3.450) 6.376 3.050 ( -0.584 -2.172 0.989) 2.457 3.189 ( 3.555 -8.109 -1.538) 8.987 3.481 ( 0.832 -0.500 0.391) 1.047 3.736 ( 2.477 2.579 0.818) 3.668 4.527 ( -6.155 2.440 -4.350) 7.922 4.703 ( -7.744 7.742 3.670) 11.549 5.691 ( 3.804 5.935 0.719) 7.086 5.884 ( -7.390 -3.118 0.980) 8.080 6.043 ( 5.561 3.427 -2.377) 6.951 6.312 ( -5.376 -4.004 1.003) 6.777 6.633 ( 5.063 -1.019 -0.636) 5.204 6.731 ( 0.222 -0.262 0.686) 0.767 7.423 ( -0.479 -0.176 0.794) 0.944 7.430 ( -0.075 -0.408 -0.787) 0.889 7.462 ( 0.510 -0.330 0.486) 0.778 7.483 ( 0.425 0.482 -0.895) 1.102 7.786 ( 0.262 -0.832 -0.350) 0.940 7.818 ( 0.395 -0.198 0.394) 0.592 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -0.000 0.000 0.000) 0.000 1.072 ( -0.000 0.000 0.000) 0.000 1.217 ( -0.000 0.000 0.000) 0.000 1.243 ( -0.000 0.000 -0.000) 0.000 1.285 ( -0.000 0.000 0.000) 0.000 1.321 ( -0.000 0.000 0.000) 0.000 1.465 ( -0.000 0.000 0.000) 0.000 1.557 ( -0.000 0.000 0.000) 0.000 1.686 ( -0.000 0.000 0.000) 0.000 1.705 ( -0.000 0.000 0.000) 0.000 1.859 ( -0.000 0.000 0.000) 0.000 1.911 ( -0.000 -0.000 0.000) 0.000 2.077 ( -0.000 0.000 -0.000) 0.000 2.235 ( -0.000 0.000 0.000) 0.000 2.705 ( -0.000 0.000 0.000) 0.000 2.738 ( -0.000 0.000 0.000) 0.000 2.892 ( -0.000 0.000 0.000) 0.000 3.001 ( -0.000 0.000 0.000) 0.000 3.053 ( -0.000 0.000 0.000) 0.000 3.286 ( -0.000 0.000 0.000) 0.000 3.498 ( -0.000 0.000 0.000) 0.000 3.726 ( -0.000 0.000 0.000) 0.000 4.482 ( -0.000 0.000 0.000) 0.000 4.559 ( -0.000 0.000 0.000) 0.000 5.682 ( -0.000 0.000 0.000) 0.000 5.851 ( -0.000 -0.000 0.000) 0.000 6.059 ( -0.000 0.000 0.000) 0.000 6.299 ( -0.000 0.000 0.000) 0.000 6.689 ( -0.000 0.000 0.000) 0.000 6.724 ( -0.000 -0.000 0.000) 0.000 7.421 ( -0.000 0.000 0.000) 0.000 7.432 ( -0.000 0.000 -0.000) 0.000 7.472 ( -0.000 0.000 0.000) 0.000 7.479 ( -0.000 -0.000 -0.000) 0.000 7.794 ( -0.000 0.000 0.000) 0.000 7.822 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 1.576 -0.000 5.706) 5.919 1.018 ( 9.170 -0.000 3.657) 9.873 1.098 ( 8.711 -0.000 -8.579) 12.227 1.103 ( 1.898 -0.000 -6.545) 6.814 1.223 ( 3.759 -0.000 -5.508) 6.668 1.294 ( 3.010 -0.000 3.868) 4.902 1.380 ( 0.557 -0.000 5.172) 5.202 1.494 ( -0.628 0.000 1.296) 1.440 1.572 ( 0.484 -0.000 -3.322) 3.357 1.607 ( 0.462 -0.000 2.167) 2.216 1.833 ( 0.582 -0.000 1.547) 1.652 1.879 ( 2.441 -0.000 1.479) 2.854 2.177 ( 3.528 -0.000 -2.922) 4.581 2.219 ( 4.537 -0.000 0.228) 4.543 2.314 ( 7.219 -0.000 -12.869) 14.756 2.482 ( 5.806 -0.000 10.595) 12.082 2.684 ( 5.935 -0.000 -1.455) 6.110 2.791 ( 3.115 -0.000 -1.157) 3.323 2.963 ( 1.091 -0.000 -1.040) 1.507 2.967 ( 1.497 -0.000 0.972) 1.785 3.466 ( -0.295 0.000 0.233) 0.376 3.716 ( 4.959 -0.000 2.308) 5.469 4.826 ( -10.981 0.000 -5.587) 12.321 4.950 ( -7.618 0.000 5.342) 9.304 5.820 ( 4.056 -0.000 -0.500) 4.087 5.971 ( -10.993 0.000 3.342) 11.490 6.062 ( 8.569 -0.000 -2.818) 9.021 6.230 ( -9.395 0.000 1.165) 9.467 6.547 ( 6.601 -0.000 -2.096) 6.926 6.667 ( 3.672 -0.000 1.609) 4.009 7.409 ( 0.347 -0.000 -2.688) 2.711 7.430 ( -0.958 0.000 1.705) 1.956 7.450 ( 0.275 -0.000 2.786) 2.800 7.489 ( 1.254 -0.000 -2.607) 2.893 7.758 ( 0.102 -0.000 0.308) 0.325 7.796 ( 1.273 -0.000 -0.185) 1.286 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 2.638 -0.779 0.016) 2.751 1.071 ( 0.868 0.498 -1.624) 1.907 1.174 ( 7.652 1.188 0.685) 7.774 1.236 ( 7.637 -2.594 -7.532) 11.035 1.279 ( 4.455 -0.498 -3.992) 6.003 1.338 ( 2.753 1.962 3.680) 4.997 1.424 ( 1.073 -2.023 2.570) 3.442 1.461 ( -0.980 1.372 2.162) 2.742 1.606 ( 3.410 -1.820 -2.125) 4.411 1.636 ( 1.927 -1.168 0.700) 2.360 1.815 ( -0.705 2.507 2.070) 3.326 1.918 ( 2.195 0.017 0.675) 2.296 2.202 ( 0.788 -0.710 0.701) 1.272 2.258 ( 4.726 4.883 -4.345) 8.066 2.508 ( 12.322 -6.982 -8.642) 16.591 2.620 ( 5.439 -2.023 12.022) 13.349 2.777 ( 6.812 0.210 -1.141) 6.910 2.847 ( 3.946 -3.192 -3.533) 6.184 2.993 ( 1.547 -1.615 -0.129) 2.240 3.022 ( 2.894 -3.060 0.629) 4.258 3.481 ( 1.966 0.242 1.029) 2.232 3.782 ( 3.526 0.765 1.603) 3.948 4.610 ( -12.230 2.702 -5.240) 13.577 4.828 ( -9.123 1.802 4.213) 10.209 5.790 ( -11.136 1.466 3.524) 11.772 5.883 ( 5.587 2.000 -1.881) 6.225 6.081 ( -6.596 0.033 0.759) 6.640 6.210 ( 4.668 -2.916 -1.555) 5.719 6.628 ( 5.316 0.390 -1.020) 5.427 6.718 ( 1.609 -0.575 1.431) 2.229 7.412 ( 0.607 -0.375 -2.156) 2.271 7.423 ( -0.644 -0.113 1.338) 1.489 7.463 ( 0.494 0.130 2.107) 2.168 7.496 ( 0.914 0.335 -2.416) 2.605 7.767 ( 0.623 -0.476 -0.231) 0.817 7.815 ( 1.067 -0.068 0.244) 1.096 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 2.030 -0.049 -1.063) 2.293 1.077 ( 0.404 -0.032 -1.719) 1.767 1.226 ( 1.634 1.146 1.744) 2.650 1.299 ( 2.495 1.166 -6.152) 6.740 1.321 ( 1.892 1.781 -2.673) 3.728 1.344 ( 0.275 2.697 4.356) 5.130 1.437 ( 2.189 -0.727 1.898) 2.987 1.516 ( 1.915 -2.896 -1.045) 3.626 1.680 ( 3.259 -1.318 -0.451) 3.544 1.706 ( 5.291 -0.043 0.852) 5.360 1.791 ( 0.625 0.516 2.070) 2.223 1.950 ( 2.153 -0.155 -0.146) 2.164 2.192 ( -0.765 3.737 -4.232) 5.698 2.244 ( 3.839 3.935 -0.094) 5.499 2.684 ( 4.269 -1.994 -0.240) 4.718 2.718 ( 1.471 -1.143 5.836) 6.126 2.886 ( 6.249 -0.527 0.918) 6.338 2.970 ( 6.846 -1.972 -3.640) 8.000 3.043 ( 1.991 -1.403 1.434) 2.827 3.147 ( 5.727 -7.068 -2.305) 9.384 3.506 ( 1.815 1.378 0.783) 2.410 3.801 ( 1.097 2.775 0.845) 3.101 4.417 ( -7.694 -1.155 -5.487) 9.520 4.663 ( -9.115 3.667 4.439) 10.781 5.631 ( -10.534 -1.535 2.000) 10.832 5.936 ( 6.492 3.133 -3.565) 8.041 5.991 ( -8.217 -3.074 3.716) 9.528 6.309 ( 6.573 0.220 -1.690) 6.791 6.688 ( 3.070 0.100 -0.229) 3.080 6.729 ( -0.684 0.235 0.912) 1.164 7.419 ( -0.147 -0.117 1.270) 1.283 7.424 ( 0.579 -0.394 -1.831) 1.961 7.473 ( 0.519 0.228 1.153) 1.285 7.493 ( 0.400 0.624 -1.619) 1.781 7.784 ( 0.943 -0.506 -0.734) 1.298 7.828 ( 0.608 0.246 0.603) 0.891 ======================= Grid point 211 (102/114) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -0.157 1.161 0.169) 1.183 1.067 ( -1.089 0.194 0.287) 1.143 1.229 ( -1.336 1.066 2.254) 2.829 1.237 ( -3.698 1.302 -0.442) 3.945 1.307 ( 3.329 5.170 -1.932) 6.446 1.340 ( 1.133 0.752 -0.923) 1.643 1.471 ( 0.439 0.913 0.293) 1.054 1.537 ( -1.917 -0.943 -0.323) 2.161 1.705 ( 0.773 1.566 1.749) 2.472 1.772 ( 5.463 2.853 0.145) 6.164 1.847 ( 2.945 -1.854 1.509) 3.793 1.987 ( 3.425 1.895 -1.263) 4.113 2.090 ( -1.394 4.785 -3.186) 5.915 2.252 ( 1.052 1.251 1.335) 2.111 2.714 ( -0.338 1.340 1.396) 1.964 2.747 ( 0.310 -0.220 -0.628) 0.734 2.926 ( 2.350 4.564 -1.260) 5.286 3.024 ( 0.581 2.776 1.023) 3.015 3.093 ( 4.007 0.944 0.481) 4.144 3.293 ( 3.277 -1.950 -2.264) 4.435 3.502 ( -0.006 0.832 -0.346) 0.901 3.735 ( -2.952 4.336 0.767) 5.302 4.433 ( 1.835 -8.653 -2.863) 9.298 4.536 ( -3.771 -0.259 3.144) 4.916 5.539 ( -7.807 -4.804 0.161) 9.168 5.905 ( -10.049 -6.142 1.527) 11.876 6.008 ( 8.819 5.052 -0.358) 10.170 6.390 ( 6.737 1.787 -1.206) 7.074 6.674 ( -3.279 1.783 0.459) 3.760 6.732 ( 0.676 -0.127 0.006) 0.688 7.422 ( -0.005 -0.132 0.901) 0.910 7.433 ( 0.627 -0.176 -1.464) 1.603 7.478 ( 0.326 0.342 0.869) 0.989 7.483 ( 0.009 0.838 -0.930) 1.252 7.799 ( 0.747 0.083 -0.646) 0.991 7.829 ( 0.177 0.635 0.483) 0.817 ======================= Grid point 212 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -2.212 1.467 2.138) 3.408 1.030 ( -3.052 1.646 0.913) 3.586 1.138 ( -4.362 1.675 0.583) 4.709 1.210 ( -3.270 1.071 1.455) 3.736 1.281 ( 2.687 5.295 0.296) 5.945 1.330 ( -0.343 1.383 -2.195) 2.617 1.436 ( -0.622 1.702 -1.091) 2.115 1.509 ( -1.949 0.396 1.640) 2.578 1.695 ( 0.389 2.154 1.274) 2.533 1.761 ( 0.633 6.889 0.436) 6.932 1.893 ( 1.865 1.238 0.966) 2.438 1.933 ( 2.437 7.038 -3.568) 8.258 2.102 ( 1.683 -2.955 1.204) 3.608 2.250 ( -0.351 0.245 0.937) 1.030 2.652 ( -3.350 4.544 1.213) 5.774 2.730 ( -1.570 1.105 -1.097) 2.211 2.823 ( -0.301 11.067 -6.769) 12.977 2.956 ( -2.039 5.464 3.422) 6.762 3.113 ( 2.908 3.872 -1.563) 5.089 3.252 ( -2.262 7.546 1.107) 7.955 3.484 ( -0.334 0.833 0.759) 1.176 3.660 ( -4.086 -1.016 -0.687) 4.266 4.560 ( 4.172 -5.970 2.919) 7.847 4.663 ( 5.024 -11.842 -2.157) 13.043 5.529 ( -3.482 -7.034 -1.517) 7.994 5.846 ( -10.401 -7.034 3.055) 12.922 6.080 ( 9.799 4.855 -1.138) 10.995 6.458 ( 6.696 2.668 -0.650) 7.238 6.574 ( -6.001 2.731 0.389) 6.605 6.724 ( -1.435 0.633 -0.185) 1.580 7.427 ( 0.336 -0.220 -0.837) 0.928 7.438 ( 0.077 0.061 0.431) 0.442 7.468 ( 0.102 1.162 -0.438) 1.247 7.479 ( -0.043 0.299 0.684) 0.747 7.799 ( 0.291 0.931 0.024) 0.975 7.820 ( -0.170 0.844 -0.153) 0.875 ======================= Grid point 213 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -2.039 3.081 -1.229) 3.894 0.969 ( -4.447 0.701 5.849) 7.381 1.058 ( -1.938 3.223 -1.422) 4.021 1.101 ( -5.571 2.491 -0.031) 6.102 1.251 ( 2.262 4.204 0.059) 4.775 1.303 ( -0.792 1.816 0.753) 2.120 1.434 ( 1.418 0.144 -0.373) 1.474 1.483 ( -1.233 0.423 0.401) 1.364 1.642 ( -1.096 6.106 1.673) 6.425 1.667 ( -0.922 3.897 -2.106) 4.525 1.884 ( 1.046 3.240 0.651) 3.466 1.894 ( 1.929 4.338 -1.378) 4.944 2.166 ( 1.965 -1.644 1.789) 3.125 2.241 ( -1.499 -0.603 -0.034) 1.616 2.515 ( -2.979 8.964 3.773) 10.172 2.593 ( -5.354 9.418 -5.564) 12.179 2.712 ( 3.470 5.863 -3.861) 7.831 2.839 ( -4.740 6.109 3.585) 8.523 3.077 ( 1.407 5.339 -1.347) 5.683 3.114 ( -1.981 7.197 1.641) 7.643 3.494 ( 1.852 -0.017 1.793) 2.578 3.609 ( -4.540 -1.231 -2.258) 5.218 4.755 ( 6.771 -8.856 0.647) 11.166 4.857 ( 1.337 -9.700 -0.240) 9.795 5.612 ( 2.347 -7.581 -2.775) 8.407 5.797 ( -9.587 -6.651 3.685) 12.236 6.168 ( 9.977 3.442 -1.512) 10.662 6.433 ( -7.906 2.856 0.607) 8.427 6.516 ( 6.213 3.036 -0.005) 6.915 6.669 ( -3.681 1.895 -0.345) 4.155 7.431 ( 0.513 0.143 -1.899) 1.972 7.437 ( -0.672 -0.055 2.268) 2.366 7.457 ( 0.873 1.027 -1.501) 2.017 7.473 ( -0.626 0.283 1.237) 1.415 7.787 ( 0.249 1.240 0.172) 1.276 7.802 ( -0.542 1.018 -0.267) 1.184 ======================= Grid point 214 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 3.056 3.482 -5.731) 7.369 0.869 ( -3.056 3.482 5.731) 7.369 1.042 ( 0.502 -0.310 -7.266) 7.290 1.042 ( -0.502 -0.310 7.266) 7.290 1.243 ( -0.667 2.487 -4.405) 5.103 1.243 ( 0.667 2.487 4.405) 5.103 1.454 ( -1.367 1.075 -3.167) 3.613 1.454 ( 1.367 1.075 3.167) 3.613 1.594 ( -1.130 2.212 -4.111) 4.803 1.594 ( 1.130 2.212 4.111) 4.803 1.852 ( 0.776 3.107 -1.159) 3.406 1.852 ( -0.776 3.107 1.159) 3.406 2.209 ( -1.530 1.088 -2.969) 3.513 2.209 ( 1.530 1.088 2.969) 3.513 2.397 ( -0.572 8.175 -10.120) 13.022 2.397 ( 0.572 8.175 10.120) 13.022 2.704 ( -0.651 3.629 -2.816) 4.640 2.704 ( 0.651 3.629 2.816) 4.640 3.020 ( 0.647 4.980 -3.145) 5.925 3.020 ( -0.647 4.980 3.145) 5.925 3.547 ( -3.918 -0.315 -2.397) 4.604 3.547 ( 3.918 -0.315 2.397) 4.604 4.948 ( -0.071 -7.100 -5.239) 8.824 4.948 ( 0.071 -7.100 5.239) 8.824 5.761 ( 4.414 -5.230 -3.297) 7.596 5.761 ( -4.414 -5.230 3.297) 7.596 6.278 ( -8.644 1.415 1.217) 8.843 6.278 ( 8.644 1.415 -1.217) 8.843 6.565 ( -5.603 2.996 -0.498) 6.374 6.565 ( 5.603 2.996 0.498) 6.374 7.430 ( 0.259 0.407 -2.714) 2.756 7.430 ( -0.259 0.407 2.714) 2.756 7.461 ( 0.980 0.115 -2.207) 2.417 7.461 ( -0.980 0.115 2.207) 2.417 7.779 ( -0.221 0.958 -0.049) 0.984 7.779 ( 0.221 0.958 0.049) 0.984 ======================= Grid point 218 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 3.366 -0.000 -2.648) 4.283 1.071 ( -0.120 0.000 -1.209) 1.215 1.256 ( 1.118 -0.000 1.204) 1.644 1.287 ( 4.763 -0.000 -6.625) 8.159 1.352 ( 5.140 -0.000 -1.041) 5.245 1.410 ( 2.151 -0.000 -0.026) 2.151 1.438 ( 1.816 -0.000 -0.317) 1.844 1.455 ( 0.818 -0.000 2.882) 2.996 1.657 ( 5.457 -0.000 -0.025) 5.457 1.688 ( 5.992 -0.000 -1.031) 6.080 1.835 ( 0.027 -0.000 1.135) 1.135 1.949 ( 1.233 -0.000 3.791) 3.986 2.191 ( -0.792 0.000 -0.453) 0.912 2.394 ( 5.651 -0.000 -0.172) 5.653 2.618 ( 10.996 -0.000 -6.902) 12.983 2.698 ( 1.418 -0.000 7.752) 7.881 2.874 ( 6.945 -0.000 -0.038) 6.945 2.905 ( 10.071 -0.000 -4.444) 11.008 3.020 ( 3.535 -0.000 0.005) 3.535 3.063 ( 4.618 -0.000 0.910) 4.707 3.536 ( 4.082 -0.000 1.660) 4.406 3.829 ( 1.703 -0.000 0.788) 1.876 4.417 ( -12.858 0.000 -6.130) 14.244 4.707 ( -10.291 0.000 4.463) 11.217 5.623 ( -12.096 0.000 2.525) 12.357 5.900 ( -10.608 0.000 -0.322) 10.613 6.018 ( 6.615 -0.000 1.024) 6.694 6.307 ( 7.911 -0.000 -2.466) 8.287 6.692 ( 3.197 -0.000 -0.264) 3.208 6.732 ( -0.049 0.000 1.328) 1.329 7.416 ( 1.080 -0.000 -2.326) 2.565 7.419 ( -0.387 0.000 1.612) 1.658 7.477 ( 0.561 -0.000 1.746) 1.834 7.503 ( 0.630 -0.000 -2.485) 2.564 7.777 ( 1.308 -0.000 -0.828) 1.548 7.831 ( 0.916 -0.000 0.636) 1.115 ======================= Grid point 219 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.217 0.474 -2.964) 3.731 1.064 ( -1.142 -0.272 -0.038) 1.175 1.252 ( -0.429 0.935 1.514) 1.830 1.304 ( 0.486 1.837 -4.184) 4.595 1.369 ( -0.407 1.969 -0.712) 2.133 1.415 ( 3.302 1.891 -1.547) 4.107 1.472 ( -0.541 -2.559 -0.977) 2.792 1.510 ( 4.237 1.185 1.384) 4.612 1.743 ( 5.368 0.990 0.470) 5.479 1.801 ( 7.837 -1.239 -1.685) 8.111 1.843 ( 2.664 1.292 2.286) 3.740 1.973 ( 1.181 0.178 2.984) 3.215 2.175 ( -1.677 -0.167 -1.657) 2.364 2.391 ( 1.006 7.065 1.737) 7.344 2.721 ( 1.610 -0.744 0.219) 1.787 2.728 ( 1.932 -0.650 0.866) 2.214 3.007 ( 8.352 0.943 1.459) 8.530 3.063 ( 7.951 -2.155 0.202) 8.241 3.083 ( 6.248 1.545 -1.935) 6.721 3.174 ( 7.882 -3.868 -2.358) 9.091 3.578 ( 2.872 3.885 0.833) 4.903 3.840 ( 0.212 1.284 0.331) 1.342 4.244 ( -8.549 -3.787 -6.321) 11.286 4.555 ( -10.885 0.458 5.077) 12.019 5.467 ( -9.417 -0.779 0.484) 9.462 5.756 ( -12.039 -3.995 2.340) 12.899 6.118 ( 8.613 2.589 -0.852) 9.034 6.410 ( 6.635 0.032 -1.615) 6.829 6.711 ( -1.660 0.962 0.635) 2.021 6.727 ( 0.596 -0.235 0.511) 0.819 7.419 ( -0.275 -0.052 1.619) 1.643 7.427 ( 0.945 -0.178 -2.162) 2.366 7.488 ( 0.676 0.309 0.984) 1.232 7.501 ( 0.436 0.397 -1.751) 1.848 7.797 ( 1.670 -0.079 -1.385) 2.171 7.843 ( 0.516 0.298 1.052) 1.209 ======================= Grid point 220 (108/114) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.721 1.735 -1.768) 2.580 1.051 ( -1.087 0.116 1.530) 1.881 1.232 ( -1.783 3.535 1.113) 4.112 1.242 ( -0.292 2.644 -0.386) 2.688 1.340 ( -0.426 0.709 -1.993) 2.158 1.423 ( 3.352 3.499 -2.733) 5.563 1.481 ( -2.456 -2.130 0.099) 3.253 1.522 ( 1.255 3.667 0.147) 3.879 1.775 ( 3.484 3.799 2.556) 5.753 1.885 ( 4.007 2.193 1.657) 4.859 1.920 ( 6.680 0.793 -0.883) 6.784 2.018 ( 2.516 -2.527 0.994) 3.702 2.118 ( -2.112 3.692 -3.386) 5.436 2.297 ( -2.619 4.880 3.294) 6.443 2.731 ( -0.699 1.640 0.844) 1.973 2.738 ( -0.190 0.014 -0.388) 0.432 3.062 ( 4.601 4.457 -0.296) 6.412 3.109 ( 3.439 6.246 -0.211) 7.133 3.194 ( 7.969 1.809 0.570) 8.191 3.328 ( 6.015 -1.836 -3.691) 7.292 3.523 ( -0.993 4.153 -1.067) 4.402 3.751 ( -5.362 7.100 1.348) 8.999 4.300 ( 1.375 -13.660 -3.472) 14.162 4.448 ( -6.235 -3.854 4.245) 8.470 5.386 ( -4.603 -3.501 -1.645) 6.013 5.658 ( -11.547 -6.467 3.336) 13.648 6.203 ( 8.980 3.947 -1.117) 9.872 6.493 ( 5.211 0.379 -0.413) 5.241 6.647 ( -3.886 2.277 -0.147) 4.506 6.731 ( -0.926 -0.047 0.622) 1.116 7.421 ( -0.182 -0.172 1.115) 1.143 7.434 ( 0.307 -0.224 -1.606) 1.651 7.493 ( 0.746 0.716 -0.761) 1.284 7.497 ( 0.402 0.798 0.402) 0.980 7.815 ( 1.375 0.375 -1.395) 1.994 7.843 ( 0.053 0.768 1.119) 1.358 ======================= Grid point 221 (109/114) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -0.563 2.298 0.035) 2.366 1.016 ( -2.435 1.818 1.004) 3.201 1.147 ( -0.501 4.927 0.269) 4.959 1.196 ( -2.676 3.195 0.426) 4.189 1.337 ( 1.399 0.796 1.154) 1.981 1.398 ( 0.730 4.678 -4.059) 6.236 1.451 ( 0.259 1.581 -1.734) 2.361 1.487 ( -1.669 0.984 2.802) 3.406 1.774 ( 3.042 5.337 2.723) 6.719 1.858 ( -0.573 7.070 -0.015) 7.093 1.970 ( 3.313 2.795 0.827) 4.413 2.023 ( -0.241 4.730 -3.231) 5.733 2.106 ( 3.810 -2.399 -0.016) 4.502 2.224 ( -3.805 0.177 2.028) 4.316 2.679 ( -1.163 3.876 1.136) 4.203 2.708 ( -2.279 1.784 -0.491) 2.935 3.015 ( 3.795 12.675 -5.475) 14.319 3.037 ( 0.218 7.201 3.187) 7.878 3.233 ( 5.921 7.012 -4.401) 10.178 3.332 ( -0.778 7.719 1.785) 7.961 3.487 ( -0.463 -0.352 2.197) 2.273 3.584 ( -6.113 1.223 -0.468) 6.252 4.506 ( 1.782 -10.464 1.897) 10.783 4.532 ( 1.346 -13.934 -1.048) 14.038 5.420 ( 1.746 -6.296 -3.245) 7.296 5.599 ( -10.240 -7.620 3.854) 13.334 6.278 ( 8.947 4.292 -1.168) 9.992 6.504 ( -5.536 2.239 1.798) 6.237 6.587 ( 4.056 2.176 -1.806) 4.945 6.701 ( -2.821 0.608 0.492) 2.927 7.425 ( 0.117 -0.274 0.009) 0.298 7.434 ( -0.318 -0.249 -0.276) 0.489 7.488 ( 0.779 1.163 -1.523) 2.069 7.493 ( 0.016 0.999 1.472) 1.779 7.819 ( 0.748 1.018 -0.687) 1.438 7.831 ( -0.292 1.143 0.562) 1.307 ======================= Grid point 222 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.325 2.598 -2.128) 3.374 0.956 ( -0.325 2.598 2.128) 3.374 1.096 ( -0.758 4.574 -1.488) 4.869 1.096 ( 0.758 4.574 1.488) 4.869 1.332 ( 0.502 3.515 -3.965) 5.322 1.332 ( -0.502 3.515 3.965) 5.322 1.458 ( 1.948 0.075 -2.944) 3.530 1.458 ( -1.948 0.075 2.944) 3.530 1.730 ( -1.088 7.259 -2.052) 7.622 1.730 ( 1.088 7.259 2.052) 7.622 1.957 ( -0.682 4.225 -1.461) 4.522 1.957 ( 0.682 4.225 1.461) 4.522 2.186 ( -2.772 -1.681 -0.275) 3.254 2.186 ( 2.772 -1.681 0.275) 3.254 2.621 ( -1.318 5.846 -2.987) 6.696 2.621 ( 1.318 5.846 2.987) 6.696 2.894 ( 3.961 11.183 -7.112) 13.832 2.894 ( -3.961 11.183 7.112) 13.832 3.185 ( 2.424 7.685 -5.022) 9.495 3.185 ( -2.424 7.685 5.022) 9.495 3.528 ( -2.844 -1.242 -2.913) 4.256 3.528 ( 2.844 -1.242 2.913) 4.256 4.696 ( -0.509 -11.720 -2.418) 11.977 4.696 ( 0.509 -11.720 2.418) 11.977 5.578 ( 7.218 -7.862 -3.802) 11.330 5.578 ( -7.218 -7.862 3.802) 11.330 6.353 ( -8.579 3.749 1.093) 9.426 6.353 ( 8.579 3.749 -1.093) 9.426 6.631 ( -3.633 1.841 -0.260) 4.081 6.631 ( 3.633 1.841 0.260) 4.081 7.432 ( 0.696 -0.227 -2.779) 2.874 7.432 ( -0.696 -0.227 2.779) 2.874 7.479 ( 0.578 1.126 -1.981) 2.351 7.479 ( -0.578 1.126 1.981) 2.351 7.810 ( 0.020 1.301 -0.810) 1.533 7.810 ( -0.020 1.301 0.810) 1.533 ======================= Grid point 228 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -1.539 0.000 2.080) 2.587 1.055 ( 1.174 -0.000 -3.772) 3.951 1.258 ( 0.090 -0.000 1.591) 1.593 1.317 ( 0.419 -0.000 -4.329) 4.349 1.379 ( -1.152 0.000 -2.677) 2.914 1.401 ( -1.600 0.000 0.109) 1.604 1.487 ( 2.179 -0.000 1.067) 2.427 1.572 ( 2.318 -0.000 -1.276) 2.646 1.854 ( 6.828 -0.000 -0.710) 6.865 1.896 ( 6.541 -0.000 -2.704) 7.078 1.902 ( 4.893 -0.000 2.779) 5.627 2.005 ( 1.134 -0.000 4.160) 4.311 2.143 ( -1.746 0.000 -1.349) 2.207 2.406 ( -5.829 0.000 4.425) 7.318 2.733 ( 1.022 -0.000 -0.316) 1.069 2.754 ( 0.704 -0.000 0.287) 0.760 3.120 ( 4.494 -0.000 1.046) 4.614 3.151 ( 6.774 -0.000 0.011) 6.774 3.249 ( 8.142 -0.000 3.122) 8.720 3.261 ( 11.692 -0.000 -6.666) 13.459 3.680 ( 4.229 -0.000 1.360) 4.443 3.846 ( 0.270 -0.000 -0.884) 0.924 4.062 ( -7.217 0.000 -7.782) 10.613 4.387 ( -13.272 0.000 6.544) 14.798 5.345 ( -5.512 0.000 -1.748) 5.782 5.561 ( -11.363 0.000 3.647) 11.934 6.259 ( 8.450 -0.000 -1.031) 8.513 6.495 ( 5.132 -0.000 -0.763) 5.189 6.679 ( -3.337 0.000 -0.185) 3.342 6.728 ( -0.919 0.000 1.152) 1.473 7.419 ( -0.327 0.000 1.647) 1.679 7.431 ( 0.427 -0.000 -2.120) 2.162 7.504 ( 0.735 -0.000 0.753) 1.052 7.508 ( 0.694 -0.000 -1.382) 1.546 7.820 ( 1.897 -0.000 -1.950) 2.721 7.854 ( 0.142 -0.000 1.561) 1.568 ======================= Grid point 229 (112/114) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.679 0.875 2.008) 2.293 1.048 ( -0.400 0.698 -2.273) 2.411 1.258 ( 0.090 1.997 1.812) 2.698 1.281 ( -0.747 3.659 -1.892) 4.187 1.342 ( 1.182 0.250 -3.288) 3.503 1.406 ( -2.951 -2.758 1.486) 4.304 1.506 ( 2.640 2.458 0.038) 3.607 1.565 ( -0.647 2.243 -1.382) 2.713 1.903 ( 4.701 3.720 0.825) 6.051 1.961 ( 2.018 0.887 0.127) 2.208 2.016 ( 6.061 0.034 -0.714) 6.103 2.034 ( 2.610 -0.667 0.918) 2.846 2.114 ( -0.506 0.809 -1.027) 1.402 2.286 ( -7.603 3.199 3.639) 9.016 2.736 ( -0.165 0.538 -0.168) 0.587 2.744 ( -0.777 1.214 0.419) 1.501 3.164 ( 3.297 2.574 0.959) 4.292 3.201 ( 1.573 2.025 -0.656) 2.647 3.380 ( 8.810 0.688 2.695) 9.239 3.400 ( 7.038 -0.755 -4.452) 8.362 3.613 ( 1.077 12.904 -2.596) 13.207 3.772 ( -6.252 8.946 1.309) 10.992 4.117 ( 2.492 -15.197 -5.094) 16.220 4.268 ( -9.328 -7.973 5.812) 13.578 5.309 ( 0.252 -2.070 -3.506) 4.079 5.442 ( -9.388 -3.553 4.272) 10.910 6.365 ( 8.033 1.953 -1.117) 8.342 6.539 ( -1.058 0.486 1.554) 1.942 6.630 ( 0.193 1.007 -2.283) 2.503 6.706 ( -2.594 -0.088 1.436) 2.966 7.420 ( -0.202 -0.104 1.554) 1.571 7.428 ( -0.004 -0.122 -1.866) 1.870 7.511 ( 0.691 0.527 -0.759) 1.154 7.513 ( 0.353 0.408 0.498) 0.734 7.838 ( 1.463 0.390 -2.016) 2.522 7.854 ( -0.378 0.496 1.791) 1.896 ======================= Grid point 230 (113/114) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.486 1.787 -2.603) 3.194 1.015 ( -0.486 1.787 2.603) 3.194 1.217 ( -0.288 4.105 -1.685) 4.447 1.217 ( 0.288 4.105 1.685) 4.447 1.381 ( 0.680 -0.383 -3.002) 3.102 1.381 ( -0.680 -0.383 3.002) 3.102 1.502 ( 0.867 3.279 -1.836) 3.857 1.502 ( -0.867 3.279 1.836) 3.857 1.910 ( -3.038 5.171 -1.299) 6.136 1.910 ( 3.038 5.171 1.299) 6.136 2.042 ( -1.022 1.840 -3.290) 3.905 2.042 ( 1.022 1.840 3.290) 3.905 2.160 ( -1.167 0.385 -0.455) 1.311 2.160 ( 1.167 0.385 0.455) 1.311 2.715 ( -0.107 2.110 -0.716) 2.231 2.715 ( 0.107 2.110 0.716) 2.231 3.147 ( -0.663 5.966 -1.995) 6.326 3.147 ( 0.663 5.966 1.995) 6.326 3.447 ( -1.756 7.200 -2.245) 7.744 3.447 ( 1.756 7.200 2.245) 7.744 3.504 ( -4.678 5.061 -1.987) 7.172 3.504 ( 4.678 5.061 1.987) 7.172 4.353 ( 2.206 -14.140 -2.135) 14.469 4.353 ( -2.206 -14.140 2.135) 14.469 5.395 ( 6.005 -5.335 -4.190) 9.060 5.395 ( -6.005 -5.335 4.190) 9.060 6.444 ( -7.339 2.815 1.329) 7.972 6.444 ( 7.339 2.815 -1.329) 7.972 6.660 ( 0.811 0.457 -1.392) 1.675 6.660 ( -0.811 0.457 1.392) 1.675 7.425 ( 0.261 -0.209 -2.225) 2.250 7.425 ( -0.261 -0.209 2.225) 2.250 7.507 ( 0.360 0.882 -1.258) 1.578 7.507 ( -0.360 0.882 1.258) 1.578 7.841 ( 0.734 0.913 -1.784) 2.134 7.841 ( -0.734 0.913 1.784) 2.134 ======================= Grid point 239 (114/114) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -0.028 -0.000 -4.189) 4.189 1.039 ( 0.028 -0.000 4.189) 4.189 1.292 ( -0.525 -0.000 -3.022) 3.068 1.292 ( 0.525 -0.000 3.022) 3.068 1.351 ( 0.542 -0.000 -1.221) 1.336 1.351 ( -0.542 -0.000 1.221) 1.336 1.558 ( -1.743 -0.000 -1.238) 2.138 1.558 ( 1.743 -0.000 1.238) 2.138 1.972 ( -0.994 -0.000 -0.468) 1.098 1.972 ( 0.994 -0.000 0.468) 1.098 2.058 ( -0.309 -0.000 -3.277) 3.291 2.058 ( 0.309 -0.000 3.277) 3.291 2.185 ( -8.801 -0.000 1.554) 8.937 2.185 ( 8.801 -0.000 -1.554) 8.937 2.743 ( 0.517 -0.000 -0.234) 0.567 2.743 ( -0.517 -0.000 0.234) 0.567 3.217 ( -1.039 -0.000 -0.623) 1.212 3.217 ( 1.039 -0.000 0.623) 1.212 3.446 ( 0.543 -0.000 -3.986) 4.023 3.446 ( -0.543 -0.000 3.986) 4.023 3.789 ( -3.416 -0.000 -1.014) 3.563 3.789 ( 3.416 -0.000 1.014) 3.563 4.049 ( 10.232 0.000 -9.170) 13.740 4.049 ( -10.232 0.000 9.170) 13.740 5.323 ( 5.193 -0.000 -4.498) 6.870 5.323 ( -5.193 -0.000 4.498) 6.870 6.484 ( -6.504 -0.000 1.419) 6.657 6.484 ( 6.504 -0.000 -1.419) 6.657 6.664 ( 3.452 -0.000 -2.240) 4.115 6.664 ( -3.452 -0.000 2.240) 4.115 7.422 ( 0.059 -0.000 -1.863) 1.864 7.422 ( -0.059 -0.000 1.863) 1.864 7.519 ( 0.137 -0.000 -0.614) 0.629 7.519 ( -0.137 -0.000 0.614) 0.629 7.853 ( 0.997 -0.000 -2.170) 2.388 7.853 ( -0.997 -0.000 2.170) 2.388 =================== 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 3/13824 10.0 73.438 66.574 78.448 -0.000 -7.326 -0.000 3/13824 20.0 22.354 20.614 21.423 -0.000 -2.608 -0.000 3/13824 30.0 12.591 11.503 11.354 -0.000 -1.502 -0.000 3/13824 40.0 8.813 8.050 7.659 -0.000 -1.069 -0.000 3/13824 50.0 6.852 6.263 5.792 -0.000 -0.841 -0.000 3/13824 60.0 5.651 5.160 4.671 -0.000 -0.699 -0.000 3/13824 70.0 4.834 4.403 3.922 -0.000 -0.602 -0.000 3/13824 80.0 4.237 3.846 3.386 -0.000 -0.531 -0.000 3/13824 90.0 3.779 3.418 2.983 -0.000 -0.476 -0.000 3/13824 100.0 3.414 3.078 2.668 -0.000 -0.432 -0.000 3/13824 110.0 3.116 2.800 2.415 -0.000 -0.396 -0.000 3/13824 120.0 2.866 2.569 2.207 -0.000 -0.365 -0.000 3/13824 130.0 2.654 2.373 2.032 -0.000 -0.339 -0.000 3/13824 140.0 2.472 2.206 1.884 -0.000 -0.316 -0.000 3/13824 150.0 2.313 2.060 1.756 -0.000 -0.297 -0.000 3/13824 160.0 2.173 1.933 1.644 -0.000 -0.279 -0.000 3/13824 170.0 2.049 1.820 1.546 -0.000 -0.264 -0.000 3/13824 180.0 1.939 1.720 1.459 -0.000 -0.250 -0.000 3/13824 190.0 1.840 1.630 1.382 -0.000 -0.237 -0.000 3/13824 200.0 1.750 1.550 1.312 -0.000 -0.226 -0.000 3/13824 210.0 1.669 1.476 1.249 -0.000 -0.216 -0.000 3/13824 220.0 1.595 1.410 1.192 -0.000 -0.206 -0.000 3/13824 230.0 1.527 1.349 1.140 -0.000 -0.198 -0.000 3/13824 240.0 1.465 1.293 1.092 -0.000 -0.190 -0.000 3/13824 250.0 1.408 1.242 1.049 -0.000 -0.183 -0.000 3/13824 260.0 1.354 1.194 1.008 -0.000 -0.176 -0.000 3/13824 270.0 1.305 1.151 0.971 -0.000 -0.169 -0.000 3/13824 280.0 1.259 1.110 0.936 -0.000 -0.164 -0.000 3/13824 290.0 1.217 1.072 0.904 -0.000 -0.158 -0.000 3/13824 300.0 1.177 1.036 0.873 -0.000 -0.153 -0.000 3/13824 310.0 1.139 1.003 0.845 -0.000 -0.148 -0.000 3/13824 320.0 1.104 0.972 0.819 -0.000 -0.144 -0.000 3/13824 330.0 1.071 0.942 0.794 -0.000 -0.139 -0.000 3/13824 340.0 1.040 0.915 0.771 -0.000 -0.135 -0.000 3/13824 350.0 1.011 0.889 0.749 -0.000 -0.132 -0.000 3/13824 360.0 0.983 0.864 0.728 -0.000 -0.128 -0.000 3/13824 370.0 0.957 0.841 0.708 -0.000 -0.125 -0.000 3/13824 380.0 0.932 0.819 0.689 -0.000 -0.121 -0.000 3/13824 390.0 0.908 0.798 0.672 -0.000 -0.118 -0.000 3/13824 400.0 0.886 0.778 0.655 -0.000 -0.115 -0.000 3/13824 410.0 0.864 0.759 0.639 -0.000 -0.113 -0.000 3/13824 420.0 0.844 0.741 0.624 -0.000 -0.110 -0.000 3/13824 430.0 0.824 0.724 0.609 -0.000 -0.107 -0.000 3/13824 440.0 0.806 0.708 0.595 -0.000 -0.105 -0.000 3/13824 450.0 0.788 0.692 0.582 -0.000 -0.103 -0.000 3/13824 460.0 0.771 0.677 0.570 -0.000 -0.100 -0.000 3/13824 470.0 0.755 0.663 0.557 -0.000 -0.098 -0.000 3/13824 480.0 0.739 0.649 0.546 -0.000 -0.096 -0.000 3/13824 490.0 0.724 0.636 0.535 -0.000 -0.094 -0.000 3/13824 500.0 0.710 0.623 0.524 -0.000 -0.093 -0.000 3/13824 510.0 0.696 0.611 0.514 -0.000 -0.091 -0.000 3/13824 520.0 0.683 0.599 0.504 -0.000 -0.089 -0.000 3/13824 530.0 0.670 0.588 0.494 -0.000 -0.087 -0.000 3/13824 540.0 0.658 0.577 0.485 -0.000 -0.086 -0.000 3/13824 550.0 0.646 0.567 0.476 -0.000 -0.084 -0.000 3/13824 560.0 0.634 0.557 0.468 -0.000 -0.083 -0.000 3/13824 570.0 0.623 0.547 0.460 -0.000 -0.081 -0.000 3/13824 580.0 0.612 0.537 0.452 -0.000 -0.080 -0.000 3/13824 590.0 0.602 0.528 0.444 -0.000 -0.079 -0.000 3/13824 600.0 0.592 0.520 0.437 -0.000 -0.077 -0.000 3/13824 610.0 0.582 0.511 0.430 -0.000 -0.076 -0.000 3/13824 620.0 0.573 0.503 0.423 -0.000 -0.075 -0.000 3/13824 630.0 0.564 0.495 0.416 -0.000 -0.074 -0.000 3/13824 640.0 0.555 0.487 0.409 -0.000 -0.072 -0.000 3/13824 650.0 0.547 0.480 0.403 -0.000 -0.071 -0.000 3/13824 660.0 0.539 0.472 0.397 -0.000 -0.070 -0.000 3/13824 670.0 0.531 0.465 0.391 -0.000 -0.069 -0.000 3/13824 680.0 0.523 0.459 0.385 -0.000 -0.068 -0.000 3/13824 690.0 0.515 0.452 0.380 -0.000 -0.067 -0.000 3/13824 700.0 0.508 0.445 0.374 -0.000 -0.066 -0.000 3/13824 710.0 0.501 0.439 0.369 -0.000 -0.065 -0.000 3/13824 720.0 0.494 0.433 0.364 -0.000 -0.064 -0.000 3/13824 730.0 0.487 0.427 0.359 -0.000 -0.064 -0.000 3/13824 740.0 0.481 0.421 0.354 -0.000 -0.063 -0.000 3/13824 750.0 0.474 0.416 0.349 -0.000 -0.062 -0.000 3/13824 760.0 0.468 0.410 0.345 -0.000 -0.061 -0.000 3/13824 770.0 0.462 0.405 0.340 -0.000 -0.060 -0.000 3/13824 780.0 0.456 0.400 0.336 -0.000 -0.060 -0.000 3/13824 790.0 0.450 0.395 0.332 -0.000 -0.059 -0.000 3/13824 800.0 0.445 0.390 0.328 -0.000 -0.058 -0.000 3/13824 810.0 0.439 0.385 0.324 -0.000 -0.057 -0.000 3/13824 820.0 0.434 0.380 0.320 -0.000 -0.057 -0.000 3/13824 830.0 0.429 0.376 0.316 -0.000 -0.056 -0.000 3/13824 840.0 0.424 0.371 0.312 -0.000 -0.055 -0.000 3/13824 850.0 0.419 0.367 0.308 -0.000 -0.055 -0.000 3/13824 860.0 0.414 0.363 0.305 -0.000 -0.054 -0.000 3/13824 870.0 0.409 0.359 0.301 -0.000 -0.053 -0.000 3/13824 880.0 0.404 0.355 0.298 -0.000 -0.053 -0.000 3/13824 890.0 0.400 0.351 0.294 -0.000 -0.052 -0.000 3/13824 900.0 0.395 0.347 0.291 -0.000 -0.052 -0.000 3/13824 910.0 0.391 0.343 0.288 -0.000 -0.051 -0.000 3/13824 920.0 0.387 0.339 0.285 -0.000 -0.051 -0.000 3/13824 930.0 0.383 0.335 0.282 -0.000 -0.050 -0.000 3/13824 940.0 0.379 0.332 0.279 -0.000 -0.049 -0.000 3/13824 950.0 0.375 0.328 0.276 -0.000 -0.049 -0.000 3/13824 960.0 0.371 0.325 0.273 -0.000 -0.048 -0.000 3/13824 970.0 0.367 0.322 0.270 -0.000 -0.048 -0.000 3/13824 980.0 0.363 0.318 0.267 -0.000 -0.047 -0.000 3/13824 990.0 0.360 0.315 0.265 -0.000 -0.047 -0.000 3/13824 1000.0 0.356 0.312 0.262 -0.000 -0.046 -0.000 3/13824 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:27:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|