----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:03:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.683765019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.097781609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.565807790000000 Atomic positions (fractional): *1 B 0.50000000000000 0.00000000000000 0.78745401561489 10.811 2 B 0.00000000000000 0.50000000000000 0.21254598438511 10.811 *3 O 0.28940732823245 0.00000000000000 0.65581837472635 15.999 4 O 0.21059267176755 0.50000000000000 0.34418162527365 15.999 *5 O 0.50000000000000 0.00000000000000 0.03631301178860 15.999 6 O 0.00000000000000 0.50000000000000 0.96368698821140 15.999 7 O 0.78940732823245 0.50000000000000 0.34418162527365 15.999 8 O 0.71059267176755 0.00000000000000 0.65581837472635 15.999 *9 Na 0.50000000000000 0.76890965160184 0.36580324020594 22.990 10 Na 0.50000000000000 0.23109034839816 0.36580324020594 22.990 11 Na 0.00000000000000 0.73109034839816 0.63419675979406 22.990 12 Na 0.00000000000000 0.26890965160184 0.63419675979406 22.990 *13 Rb 0.50000000000000 0.50000000000000 0.89188739341685 85.468 14 Rb 0.00000000000000 0.00000000000000 0.10811260658315 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.683765019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.097781609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.565807790000000 Atomic positions (fractional): *1 B 0.50000000000000 0.00000000000000 0.78745401561489 10.811 > 1 2 B 0.00000000000000 0.50000000000000 0.21254598438511 10.811 > 2 *3 O 0.28940732823245 0.00000000000000 0.65581837472635 15.999 > 3 4 O 0.21059267176755 0.50000000000000 0.34418162527365 15.999 > 4 *5 O 0.50000000000000 0.00000000000000 0.03631301178860 15.999 > 5 6 O 0.00000000000000 0.50000000000000 0.96368698821140 15.999 > 6 7 O 0.78940732823245 0.50000000000000 0.34418162527365 15.999 > 7 8 O 0.71059267176755 0.00000000000000 0.65581837472635 15.999 > 8 *9 Na 0.50000000000000 0.76890965160184 0.36580324020594 22.990 > 9 10 Na 0.50000000000000 0.23109034839816 0.36580324020594 22.990 > 10 11 Na 0.00000000000000 0.73109034839816 0.63419675979406 22.990 > 11 12 Na 0.00000000000000 0.26890965160184 0.63419675979406 22.990 > 12 *13 Rb 0.50000000000000 0.50000000000000 0.89188739341685 85.468 > 13 14 Rb 0.00000000000000 0.00000000000000 0.10811260658315 85.468 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.367530039999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.195563219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.131615580000000 Atomic positions (fractional): *1 B 0.25000000000000 0.00000000000000 0.39372700780745 10.811 > 1 2 B 0.75000000000000 0.00000000000000 0.39372700780745 10.811 > 1 3 B 0.25000000000000 0.50000000000000 0.39372700780745 10.811 > 1 4 B 0.75000000000000 0.50000000000000 0.39372700780745 10.811 > 1 5 B 0.25000000000000 0.00000000000000 0.89372700780745 10.811 > 1 6 B 0.75000000000000 0.00000000000000 0.89372700780745 10.811 > 1 7 B 0.25000000000000 0.50000000000000 0.89372700780745 10.811 > 1 8 B 0.75000000000000 0.50000000000000 0.89372700780745 10.811 > 1 9 B 0.00000000000000 0.25000000000000 0.10627299219255 10.811 > 2 10 B 0.50000000000000 0.25000000000000 0.10627299219255 10.811 > 2 11 B 0.00000000000000 0.75000000000000 0.10627299219255 10.811 > 2 12 B 0.50000000000000 0.75000000000000 0.10627299219255 10.811 > 2 13 B 0.00000000000000 0.25000000000000 0.60627299219255 10.811 > 2 14 B 0.50000000000000 0.25000000000000 0.60627299219255 10.811 > 2 15 B 0.00000000000000 0.75000000000000 0.60627299219255 10.811 > 2 16 B 0.50000000000000 0.75000000000000 0.60627299219255 10.811 > 2 *17 O 0.14470366411623 0.00000000000000 0.32790918736317 15.999 > 3 18 O 0.64470366411623 0.00000000000000 0.32790918736317 15.999 > 3 19 O 0.14470366411623 0.50000000000000 0.32790918736317 15.999 > 3 20 O 0.64470366411623 0.50000000000000 0.32790918736317 15.999 > 3 21 O 0.14470366411623 0.00000000000000 0.82790918736317 15.999 > 3 22 O 0.64470366411623 0.00000000000000 0.82790918736317 15.999 > 3 23 O 0.14470366411623 0.50000000000000 0.82790918736317 15.999 > 3 24 O 0.64470366411623 0.50000000000000 0.82790918736317 15.999 > 3 25 O 0.10529633588377 0.25000000000000 0.17209081263683 15.999 > 4 26 O 0.60529633588377 0.25000000000000 0.17209081263683 15.999 > 4 27 O 0.10529633588377 0.75000000000000 0.17209081263683 15.999 > 4 28 O 0.60529633588377 0.75000000000000 0.17209081263683 15.999 > 4 29 O 0.10529633588377 0.25000000000000 0.67209081263683 15.999 > 4 30 O 0.60529633588377 0.25000000000000 0.67209081263683 15.999 > 4 31 O 0.10529633588377 0.75000000000000 0.67209081263683 15.999 > 4 32 O 0.60529633588377 0.75000000000000 0.67209081263683 15.999 > 4 *33 O 0.25000000000000 0.00000000000000 0.01815650589430 15.999 > 5 34 O 0.75000000000000 0.00000000000000 0.01815650589430 15.999 > 5 35 O 0.25000000000000 0.50000000000000 0.01815650589430 15.999 > 5 36 O 0.75000000000000 0.50000000000000 0.01815650589430 15.999 > 5 37 O 0.25000000000000 0.00000000000000 0.51815650589430 15.999 > 5 38 O 0.75000000000000 0.00000000000000 0.51815650589430 15.999 > 5 39 O 0.25000000000000 0.50000000000000 0.51815650589430 15.999 > 5 40 O 0.75000000000000 0.50000000000000 0.51815650589430 15.999 > 5 41 O 0.00000000000000 0.25000000000000 0.48184349410570 15.999 > 6 42 O 0.50000000000000 0.25000000000000 0.48184349410570 15.999 > 6 43 O 0.00000000000000 0.75000000000000 0.48184349410570 15.999 > 6 44 O 0.50000000000000 0.75000000000000 0.48184349410570 15.999 > 6 45 O 0.00000000000000 0.25000000000000 0.98184349410570 15.999 > 6 46 O 0.50000000000000 0.25000000000000 0.98184349410570 15.999 > 6 47 O 0.00000000000000 0.75000000000000 0.98184349410570 15.999 > 6 48 O 0.50000000000000 0.75000000000000 0.98184349410570 15.999 > 6 49 O 0.39470366411623 0.25000000000000 0.17209081263683 15.999 > 7 50 O 0.89470366411623 0.25000000000000 0.17209081263683 15.999 > 7 51 O 0.39470366411623 0.75000000000000 0.17209081263683 15.999 > 7 52 O 0.89470366411623 0.75000000000000 0.17209081263683 15.999 > 7 53 O 0.39470366411623 0.25000000000000 0.67209081263683 15.999 > 7 54 O 0.89470366411623 0.25000000000000 0.67209081263683 15.999 > 7 55 O 0.39470366411623 0.75000000000000 0.67209081263683 15.999 > 7 56 O 0.89470366411623 0.75000000000000 0.67209081263683 15.999 > 7 57 O 0.35529633588377 0.00000000000000 0.32790918736317 15.999 > 8 58 O 0.85529633588377 0.00000000000000 0.32790918736317 15.999 > 8 59 O 0.35529633588377 0.50000000000000 0.32790918736317 15.999 > 8 60 O 0.85529633588377 0.50000000000000 0.32790918736317 15.999 > 8 61 O 0.35529633588377 0.00000000000000 0.82790918736317 15.999 > 8 62 O 0.85529633588377 0.00000000000000 0.82790918736317 15.999 > 8 63 O 0.35529633588377 0.50000000000000 0.82790918736317 15.999 > 8 64 O 0.85529633588377 0.50000000000000 0.82790918736317 15.999 > 8 *65 Na 0.25000000000000 0.38445482580092 0.18290162010297 22.990 > 9 66 Na 0.75000000000000 0.38445482580092 0.18290162010297 22.990 > 9 67 Na 0.25000000000000 0.88445482580092 0.18290162010297 22.990 > 9 68 Na 0.75000000000000 0.88445482580092 0.18290162010297 22.990 > 9 69 Na 0.25000000000000 0.38445482580092 0.68290162010297 22.990 > 9 70 Na 0.75000000000000 0.38445482580092 0.68290162010297 22.990 > 9 71 Na 0.25000000000000 0.88445482580092 0.68290162010297 22.990 > 9 72 Na 0.75000000000000 0.88445482580092 0.68290162010297 22.990 > 9 73 Na 0.25000000000000 0.11554517419908 0.18290162010297 22.990 > 10 74 Na 0.75000000000000 0.11554517419908 0.18290162010297 22.990 > 10 75 Na 0.25000000000000 0.61554517419908 0.18290162010297 22.990 > 10 76 Na 0.75000000000000 0.61554517419908 0.18290162010297 22.990 > 10 77 Na 0.25000000000000 0.11554517419908 0.68290162010297 22.990 > 10 78 Na 0.75000000000000 0.11554517419908 0.68290162010297 22.990 > 10 79 Na 0.25000000000000 0.61554517419908 0.68290162010297 22.990 > 10 80 Na 0.75000000000000 0.61554517419908 0.68290162010297 22.990 > 10 81 Na 0.00000000000000 0.36554517419908 0.31709837989703 22.990 > 11 82 Na 0.50000000000000 0.36554517419908 0.31709837989703 22.990 > 11 83 Na 0.00000000000000 0.86554517419908 0.31709837989703 22.990 > 11 84 Na 0.50000000000000 0.86554517419908 0.31709837989703 22.990 > 11 85 Na 0.00000000000000 0.36554517419908 0.81709837989703 22.990 > 11 86 Na 0.50000000000000 0.36554517419908 0.81709837989703 22.990 > 11 87 Na 0.00000000000000 0.86554517419908 0.81709837989703 22.990 > 11 88 Na 0.50000000000000 0.86554517419908 0.81709837989703 22.990 > 11 89 Na 0.00000000000000 0.13445482580092 0.31709837989703 22.990 > 12 90 Na 0.50000000000000 0.13445482580092 0.31709837989703 22.990 > 12 91 Na 0.00000000000000 0.63445482580092 0.31709837989703 22.990 > 12 92 Na 0.50000000000000 0.63445482580092 0.31709837989703 22.990 > 12 93 Na 0.00000000000000 0.13445482580092 0.81709837989703 22.990 > 12 94 Na 0.50000000000000 0.13445482580092 0.81709837989703 22.990 > 12 95 Na 0.00000000000000 0.63445482580092 0.81709837989703 22.990 > 12 96 Na 0.50000000000000 0.63445482580092 0.81709837989703 22.990 > 12 *97 Rb 0.25000000000000 0.25000000000000 0.44594369670842 85.468 > 13 98 Rb 0.75000000000000 0.25000000000000 0.44594369670842 85.468 > 13 99 Rb 0.25000000000000 0.75000000000000 0.44594369670842 85.468 > 13 100 Rb 0.75000000000000 0.75000000000000 0.44594369670842 85.468 > 13 101 Rb 0.25000000000000 0.25000000000000 0.94594369670842 85.468 > 13 102 Rb 0.75000000000000 0.25000000000000 0.94594369670842 85.468 > 13 103 Rb 0.25000000000000 0.75000000000000 0.94594369670842 85.468 > 13 104 Rb 0.75000000000000 0.75000000000000 0.94594369670842 85.468 > 13 105 Rb 0.00000000000000 0.00000000000000 0.05405630329158 85.468 > 14 106 Rb 0.50000000000000 0.00000000000000 0.05405630329158 85.468 > 14 107 Rb 0.00000000000000 0.50000000000000 0.05405630329158 85.468 > 14 108 Rb 0.50000000000000 0.50000000000000 0.05405630329158 85.468 > 14 109 Rb 0.00000000000000 0.00000000000000 0.55405630329158 85.468 > 14 110 Rb 0.50000000000000 0.00000000000000 0.55405630329158 85.468 > 14 111 Rb 0.00000000000000 0.50000000000000 0.55405630329158 85.468 > 14 112 Rb 0.50000000000000 0.50000000000000 0.55405630329158 85.468 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7374210 0.0000000 0.0000000 0.0000000 2.5356766 0.0000000 0.0000000 0.0000000 2.7290017 -------------------------- Born effective charges -------------------------- 1 B 2.4374779 0.0000000 0.0000000 0.0000000 0.1937110 0.0000000 0.0000000 0.0000000 2.3203725 2 B 2.4374779 0.0000000 0.0000000 0.0000000 0.1937110 0.0000000 0.0000000 0.0000000 2.3203725 3 O -2.1380143 0.0000000 -0.4257111 0.0000000 -1.1191658 0.0000000 -0.4307359 0.0000000 -1.6280705 4 O -2.1380143 0.0000000 -0.4257111 0.0000000 -1.1191658 0.0000000 -0.4307359 0.0000000 -1.6280705 5 O -1.5098212 0.0000000 0.0000000 0.0000000 -1.2072504 0.0000000 0.0000000 0.0000000 -2.3104918 6 O -1.5098212 0.0000000 0.0000000 0.0000000 -1.2072504 0.0000000 0.0000000 0.0000000 -2.3104918 7 O -2.1380143 0.0000000 0.4257111 0.0000000 -1.1191658 0.0000000 0.4307359 0.0000000 -1.6280705 8 O -2.1380143 0.0000000 0.4257111 0.0000000 -1.1191658 0.0000000 0.4307359 0.0000000 -1.6280705 9 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 0.0641285 0.0000000 0.0690273 1.0938187 10 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 -0.0641285 0.0000000 -0.0690273 1.0938187 11 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 0.0641285 0.0000000 0.0690273 1.0938187 12 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 -0.0641285 0.0000000 -0.0690273 1.0938187 13 Rb 1.3693016 0.0000000 0.0000000 0.0000000 1.1981131 0.0000000 0.0000000 0.0000000 1.0586230 14 Rb 1.3693016 0.0000000 0.0000000 0.0000000 1.1981131 0.0000000 0.0000000 0.0000000 1.0586230 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1042 Number of blocks in projector: 1042 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: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (1042, 1023), data: False |-- (106, 106), data: True |-- (186, 184), data: True |-- (186, 184), data: True |-- (188, 183), data: True |-- (188, 183), data: True |-- (188, 183), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 240 - Time: 1.125 Solver_block: 200 / 240 - Time: 1.210 Solver_block: 240 / 240 - Time: 0.586 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.969 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 7476/7476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1042 Number of blocks in projector: 1042 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: 188 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 106 Use standard eigh solver. Tree of FC basis block matrices: - (1042, 1023), data: False |-- (106, 106), data: True |-- (186, 184), data: True |-- (186, 184), data: True |-- (188, 183), data: True |-- (188, 183), data: True |-- (188, 183), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:03:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:03:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.683765019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.097781609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.565807790000000 Atomic positions (fractional): 1 B 0.50000000000000 0.00000000000000 0.78745401561489 10.811 2 B 0.00000000000000 0.50000000000000 0.21254598438511 10.811 3 O 0.28940732823245 0.00000000000000 0.65581837472635 15.999 4 O 0.21059267176755 0.50000000000000 0.34418162527365 15.999 5 O 0.50000000000000 0.00000000000000 0.03631301178860 15.999 6 O 0.00000000000000 0.50000000000000 0.96368698821140 15.999 7 O 0.78940732823245 0.50000000000000 0.34418162527365 15.999 8 O 0.71059267176755 0.00000000000000 0.65581837472635 15.999 9 Na 0.50000000000000 0.76890965160184 0.36580324020594 22.990 10 Na 0.50000000000000 0.23109034839816 0.36580324020594 22.990 11 Na 0.00000000000000 0.73109034839816 0.63419675979406 22.990 12 Na 0.00000000000000 0.26890965160184 0.63419675979406 22.990 13 Rb 0.50000000000000 0.50000000000000 0.89188739341685 85.468 14 Rb 0.00000000000000 0.00000000000000 0.10811260658315 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.367530039999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.195563219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.131615580000000 Atomic positions (fractional): 1 B 0.25000000000000 0.00000000000000 0.39372700780745 10.811 > 1 2 B 0.75000000000000 0.00000000000000 0.39372700780745 10.811 > 1 3 B 0.25000000000000 0.50000000000000 0.39372700780745 10.811 > 1 4 B 0.75000000000000 0.50000000000000 0.39372700780745 10.811 > 1 5 B 0.25000000000000 0.00000000000000 0.89372700780745 10.811 > 1 6 B 0.75000000000000 0.00000000000000 0.89372700780745 10.811 > 1 7 B 0.25000000000000 0.50000000000000 0.89372700780745 10.811 > 1 8 B 0.75000000000000 0.50000000000000 0.89372700780745 10.811 > 1 9 B 0.00000000000000 0.25000000000000 0.10627299219255 10.811 > 9 10 B 0.50000000000000 0.25000000000000 0.10627299219255 10.811 > 9 11 B 0.00000000000000 0.75000000000000 0.10627299219255 10.811 > 9 12 B 0.50000000000000 0.75000000000000 0.10627299219255 10.811 > 9 13 B 0.00000000000000 0.25000000000000 0.60627299219255 10.811 > 9 14 B 0.50000000000000 0.25000000000000 0.60627299219255 10.811 > 9 15 B 0.00000000000000 0.75000000000000 0.60627299219255 10.811 > 9 16 B 0.50000000000000 0.75000000000000 0.60627299219255 10.811 > 9 17 O 0.14470366411623 0.00000000000000 0.32790918736317 15.999 > 17 18 O 0.64470366411623 0.00000000000000 0.32790918736317 15.999 > 17 19 O 0.14470366411623 0.50000000000000 0.32790918736317 15.999 > 17 20 O 0.64470366411623 0.50000000000000 0.32790918736317 15.999 > 17 21 O 0.14470366411623 0.00000000000000 0.82790918736317 15.999 > 17 22 O 0.64470366411623 0.00000000000000 0.82790918736317 15.999 > 17 23 O 0.14470366411623 0.50000000000000 0.82790918736317 15.999 > 17 24 O 0.64470366411623 0.50000000000000 0.82790918736317 15.999 > 17 25 O 0.10529633588377 0.25000000000000 0.17209081263683 15.999 > 25 26 O 0.60529633588377 0.25000000000000 0.17209081263683 15.999 > 25 27 O 0.10529633588377 0.75000000000000 0.17209081263683 15.999 > 25 28 O 0.60529633588377 0.75000000000000 0.17209081263683 15.999 > 25 29 O 0.10529633588377 0.25000000000000 0.67209081263683 15.999 > 25 30 O 0.60529633588377 0.25000000000000 0.67209081263683 15.999 > 25 31 O 0.10529633588377 0.75000000000000 0.67209081263683 15.999 > 25 32 O 0.60529633588377 0.75000000000000 0.67209081263683 15.999 > 25 33 O 0.25000000000000 0.00000000000000 0.01815650589430 15.999 > 33 34 O 0.75000000000000 0.00000000000000 0.01815650589430 15.999 > 33 35 O 0.25000000000000 0.50000000000000 0.01815650589430 15.999 > 33 36 O 0.75000000000000 0.50000000000000 0.01815650589430 15.999 > 33 37 O 0.25000000000000 0.00000000000000 0.51815650589430 15.999 > 33 38 O 0.75000000000000 0.00000000000000 0.51815650589430 15.999 > 33 39 O 0.25000000000000 0.50000000000000 0.51815650589430 15.999 > 33 40 O 0.75000000000000 0.50000000000000 0.51815650589430 15.999 > 33 41 O 0.00000000000000 0.25000000000000 0.48184349410570 15.999 > 41 42 O 0.50000000000000 0.25000000000000 0.48184349410570 15.999 > 41 43 O 0.00000000000000 0.75000000000000 0.48184349410570 15.999 > 41 44 O 0.50000000000000 0.75000000000000 0.48184349410570 15.999 > 41 45 O 0.00000000000000 0.25000000000000 0.98184349410570 15.999 > 41 46 O 0.50000000000000 0.25000000000000 0.98184349410570 15.999 > 41 47 O 0.00000000000000 0.75000000000000 0.98184349410570 15.999 > 41 48 O 0.50000000000000 0.75000000000000 0.98184349410570 15.999 > 41 49 O 0.39470366411623 0.25000000000000 0.17209081263683 15.999 > 49 50 O 0.89470366411623 0.25000000000000 0.17209081263683 15.999 > 49 51 O 0.39470366411623 0.75000000000000 0.17209081263683 15.999 > 49 52 O 0.89470366411623 0.75000000000000 0.17209081263683 15.999 > 49 53 O 0.39470366411623 0.25000000000000 0.67209081263683 15.999 > 49 54 O 0.89470366411623 0.25000000000000 0.67209081263683 15.999 > 49 55 O 0.39470366411623 0.75000000000000 0.67209081263683 15.999 > 49 56 O 0.89470366411623 0.75000000000000 0.67209081263683 15.999 > 49 57 O 0.35529633588377 0.00000000000000 0.32790918736317 15.999 > 57 58 O 0.85529633588377 0.00000000000000 0.32790918736317 15.999 > 57 59 O 0.35529633588377 0.50000000000000 0.32790918736317 15.999 > 57 60 O 0.85529633588377 0.50000000000000 0.32790918736317 15.999 > 57 61 O 0.35529633588377 0.00000000000000 0.82790918736317 15.999 > 57 62 O 0.85529633588377 0.00000000000000 0.82790918736317 15.999 > 57 63 O 0.35529633588377 0.50000000000000 0.82790918736317 15.999 > 57 64 O 0.85529633588377 0.50000000000000 0.82790918736317 15.999 > 57 65 Na 0.25000000000000 0.38445482580092 0.18290162010297 22.990 > 65 66 Na 0.75000000000000 0.38445482580092 0.18290162010297 22.990 > 65 67 Na 0.25000000000000 0.88445482580092 0.18290162010297 22.990 > 65 68 Na 0.75000000000000 0.88445482580092 0.18290162010297 22.990 > 65 69 Na 0.25000000000000 0.38445482580092 0.68290162010297 22.990 > 65 70 Na 0.75000000000000 0.38445482580092 0.68290162010297 22.990 > 65 71 Na 0.25000000000000 0.88445482580092 0.68290162010297 22.990 > 65 72 Na 0.75000000000000 0.88445482580092 0.68290162010297 22.990 > 65 73 Na 0.25000000000000 0.11554517419908 0.18290162010297 22.990 > 73 74 Na 0.75000000000000 0.11554517419908 0.18290162010297 22.990 > 73 75 Na 0.25000000000000 0.61554517419908 0.18290162010297 22.990 > 73 76 Na 0.75000000000000 0.61554517419908 0.18290162010297 22.990 > 73 77 Na 0.25000000000000 0.11554517419908 0.68290162010297 22.990 > 73 78 Na 0.75000000000000 0.11554517419908 0.68290162010297 22.990 > 73 79 Na 0.25000000000000 0.61554517419908 0.68290162010297 22.990 > 73 80 Na 0.75000000000000 0.61554517419908 0.68290162010297 22.990 > 73 81 Na 0.00000000000000 0.36554517419908 0.31709837989703 22.990 > 81 82 Na 0.50000000000000 0.36554517419908 0.31709837989703 22.990 > 81 83 Na 0.00000000000000 0.86554517419908 0.31709837989703 22.990 > 81 84 Na 0.50000000000000 0.86554517419908 0.31709837989703 22.990 > 81 85 Na 0.00000000000000 0.36554517419908 0.81709837989703 22.990 > 81 86 Na 0.50000000000000 0.36554517419908 0.81709837989703 22.990 > 81 87 Na 0.00000000000000 0.86554517419908 0.81709837989703 22.990 > 81 88 Na 0.50000000000000 0.86554517419908 0.81709837989703 22.990 > 81 89 Na 0.00000000000000 0.13445482580092 0.31709837989703 22.990 > 89 90 Na 0.50000000000000 0.13445482580092 0.31709837989703 22.990 > 89 91 Na 0.00000000000000 0.63445482580092 0.31709837989703 22.990 > 89 92 Na 0.50000000000000 0.63445482580092 0.31709837989703 22.990 > 89 93 Na 0.00000000000000 0.13445482580092 0.81709837989703 22.990 > 89 94 Na 0.50000000000000 0.13445482580092 0.81709837989703 22.990 > 89 95 Na 0.00000000000000 0.63445482580092 0.81709837989703 22.990 > 89 96 Na 0.50000000000000 0.63445482580092 0.81709837989703 22.990 > 89 97 Rb 0.25000000000000 0.25000000000000 0.44594369670842 85.468 > 97 98 Rb 0.75000000000000 0.25000000000000 0.44594369670842 85.468 > 97 99 Rb 0.25000000000000 0.75000000000000 0.44594369670842 85.468 > 97 100 Rb 0.75000000000000 0.75000000000000 0.44594369670842 85.468 > 97 101 Rb 0.25000000000000 0.25000000000000 0.94594369670842 85.468 > 97 102 Rb 0.75000000000000 0.25000000000000 0.94594369670842 85.468 > 97 103 Rb 0.25000000000000 0.75000000000000 0.94594369670842 85.468 > 97 104 Rb 0.75000000000000 0.75000000000000 0.94594369670842 85.468 > 97 105 Rb 0.00000000000000 0.00000000000000 0.05405630329158 85.468 > 105 106 Rb 0.50000000000000 0.00000000000000 0.05405630329158 85.468 > 105 107 Rb 0.00000000000000 0.50000000000000 0.05405630329158 85.468 > 105 108 Rb 0.50000000000000 0.50000000000000 0.05405630329158 85.468 > 105 109 Rb 0.00000000000000 0.00000000000000 0.55405630329158 85.468 > 105 110 Rb 0.50000000000000 0.00000000000000 0.55405630329158 85.468 > 105 111 Rb 0.00000000000000 0.50000000000000 0.55405630329158 85.468 > 105 112 Rb 0.50000000000000 0.50000000000000 0.55405630329158 85.468 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7374210 0.0000000 0.0000000 0.0000000 2.5356766 0.0000000 0.0000000 0.0000000 2.7290017 -------------------------- Born effective charges -------------------------- 1 B 2.4374779 0.0000000 0.0000000 0.0000000 0.1937110 0.0000000 0.0000000 0.0000000 2.3203725 2 B 2.4374779 0.0000000 0.0000000 0.0000000 0.1937110 0.0000000 0.0000000 0.0000000 2.3203725 3 O -2.1380143 0.0000000 -0.4257111 0.0000000 -1.1191658 0.0000000 -0.4307359 0.0000000 -1.6280705 4 O -2.1380143 0.0000000 -0.4257111 0.0000000 -1.1191658 0.0000000 -0.4307359 0.0000000 -1.6280705 5 O -1.5098212 0.0000000 0.0000000 0.0000000 -1.2072504 0.0000000 0.0000000 0.0000000 -2.3104918 6 O -1.5098212 0.0000000 0.0000000 0.0000000 -1.2072504 0.0000000 0.0000000 0.0000000 -2.3104918 7 O -2.1380143 0.0000000 0.4257111 0.0000000 -1.1191658 0.0000000 0.4307359 0.0000000 -1.6280705 8 O -2.1380143 0.0000000 0.4257111 0.0000000 -1.1191658 0.0000000 0.4307359 0.0000000 -1.6280705 9 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 0.0641285 0.0000000 0.0690273 1.0938187 10 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 -0.0641285 0.0000000 -0.0690273 1.0938187 11 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 0.0641285 0.0000000 0.0690273 1.0938187 12 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 -0.0641285 0.0000000 -0.0690273 1.0938187 13 Rb 1.3693016 0.0000000 0.0000000 0.0000000 1.1981131 0.0000000 0.0000000 0.0000000 1.0586230 14 Rb 1.3693016 0.0000000 0.0000000 0.0000000 1.1981131 0.0000000 0.0000000 0.0000000 1.0586230 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000017 (zzz) -0.00000017 (zzz) -0.00000017 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:04:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:04:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.683765019999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.097781609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.565807790000000 Atomic positions (fractional): 1 B 0.50000000000000 0.00000000000000 0.78745401561489 10.811 2 B 0.00000000000000 0.50000000000000 0.21254598438511 10.811 3 O 0.28940732823245 0.00000000000000 0.65581837472635 15.999 4 O 0.21059267176755 0.50000000000000 0.34418162527365 15.999 5 O 0.50000000000000 0.00000000000000 0.03631301178860 15.999 6 O 0.00000000000000 0.50000000000000 0.96368698821140 15.999 7 O 0.78940732823245 0.50000000000000 0.34418162527365 15.999 8 O 0.71059267176755 0.00000000000000 0.65581837472635 15.999 9 Na 0.50000000000000 0.76890965160184 0.36580324020594 22.990 10 Na 0.50000000000000 0.23109034839816 0.36580324020594 22.990 11 Na 0.00000000000000 0.73109034839816 0.63419675979406 22.990 12 Na 0.00000000000000 0.26890965160184 0.63419675979406 22.990 13 Rb 0.50000000000000 0.50000000000000 0.89188739341685 85.468 14 Rb 0.00000000000000 0.00000000000000 0.10811260658315 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.367530039999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.195563219999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.131615580000000 Atomic positions (fractional): 1 B 0.25000000000000 0.00000000000000 0.39372700780745 10.811 > 1 2 B 0.75000000000000 0.00000000000000 0.39372700780745 10.811 > 1 3 B 0.25000000000000 0.50000000000000 0.39372700780745 10.811 > 1 4 B 0.75000000000000 0.50000000000000 0.39372700780745 10.811 > 1 5 B 0.25000000000000 0.00000000000000 0.89372700780745 10.811 > 1 6 B 0.75000000000000 0.00000000000000 0.89372700780745 10.811 > 1 7 B 0.25000000000000 0.50000000000000 0.89372700780745 10.811 > 1 8 B 0.75000000000000 0.50000000000000 0.89372700780745 10.811 > 1 9 B 0.00000000000000 0.25000000000000 0.10627299219255 10.811 > 9 10 B 0.50000000000000 0.25000000000000 0.10627299219255 10.811 > 9 11 B 0.00000000000000 0.75000000000000 0.10627299219255 10.811 > 9 12 B 0.50000000000000 0.75000000000000 0.10627299219255 10.811 > 9 13 B 0.00000000000000 0.25000000000000 0.60627299219255 10.811 > 9 14 B 0.50000000000000 0.25000000000000 0.60627299219255 10.811 > 9 15 B 0.00000000000000 0.75000000000000 0.60627299219255 10.811 > 9 16 B 0.50000000000000 0.75000000000000 0.60627299219255 10.811 > 9 17 O 0.14470366411623 0.00000000000000 0.32790918736317 15.999 > 17 18 O 0.64470366411623 0.00000000000000 0.32790918736317 15.999 > 17 19 O 0.14470366411623 0.50000000000000 0.32790918736317 15.999 > 17 20 O 0.64470366411623 0.50000000000000 0.32790918736317 15.999 > 17 21 O 0.14470366411623 0.00000000000000 0.82790918736317 15.999 > 17 22 O 0.64470366411623 0.00000000000000 0.82790918736317 15.999 > 17 23 O 0.14470366411623 0.50000000000000 0.82790918736317 15.999 > 17 24 O 0.64470366411623 0.50000000000000 0.82790918736317 15.999 > 17 25 O 0.10529633588377 0.25000000000000 0.17209081263683 15.999 > 25 26 O 0.60529633588377 0.25000000000000 0.17209081263683 15.999 > 25 27 O 0.10529633588377 0.75000000000000 0.17209081263683 15.999 > 25 28 O 0.60529633588377 0.75000000000000 0.17209081263683 15.999 > 25 29 O 0.10529633588377 0.25000000000000 0.67209081263683 15.999 > 25 30 O 0.60529633588377 0.25000000000000 0.67209081263683 15.999 > 25 31 O 0.10529633588377 0.75000000000000 0.67209081263683 15.999 > 25 32 O 0.60529633588377 0.75000000000000 0.67209081263683 15.999 > 25 33 O 0.25000000000000 0.00000000000000 0.01815650589430 15.999 > 33 34 O 0.75000000000000 0.00000000000000 0.01815650589430 15.999 > 33 35 O 0.25000000000000 0.50000000000000 0.01815650589430 15.999 > 33 36 O 0.75000000000000 0.50000000000000 0.01815650589430 15.999 > 33 37 O 0.25000000000000 0.00000000000000 0.51815650589430 15.999 > 33 38 O 0.75000000000000 0.00000000000000 0.51815650589430 15.999 > 33 39 O 0.25000000000000 0.50000000000000 0.51815650589430 15.999 > 33 40 O 0.75000000000000 0.50000000000000 0.51815650589430 15.999 > 33 41 O 0.00000000000000 0.25000000000000 0.48184349410570 15.999 > 41 42 O 0.50000000000000 0.25000000000000 0.48184349410570 15.999 > 41 43 O 0.00000000000000 0.75000000000000 0.48184349410570 15.999 > 41 44 O 0.50000000000000 0.75000000000000 0.48184349410570 15.999 > 41 45 O 0.00000000000000 0.25000000000000 0.98184349410570 15.999 > 41 46 O 0.50000000000000 0.25000000000000 0.98184349410570 15.999 > 41 47 O 0.00000000000000 0.75000000000000 0.98184349410570 15.999 > 41 48 O 0.50000000000000 0.75000000000000 0.98184349410570 15.999 > 41 49 O 0.39470366411623 0.25000000000000 0.17209081263683 15.999 > 49 50 O 0.89470366411623 0.25000000000000 0.17209081263683 15.999 > 49 51 O 0.39470366411623 0.75000000000000 0.17209081263683 15.999 > 49 52 O 0.89470366411623 0.75000000000000 0.17209081263683 15.999 > 49 53 O 0.39470366411623 0.25000000000000 0.67209081263683 15.999 > 49 54 O 0.89470366411623 0.25000000000000 0.67209081263683 15.999 > 49 55 O 0.39470366411623 0.75000000000000 0.67209081263683 15.999 > 49 56 O 0.89470366411623 0.75000000000000 0.67209081263683 15.999 > 49 57 O 0.35529633588377 0.00000000000000 0.32790918736317 15.999 > 57 58 O 0.85529633588377 0.00000000000000 0.32790918736317 15.999 > 57 59 O 0.35529633588377 0.50000000000000 0.32790918736317 15.999 > 57 60 O 0.85529633588377 0.50000000000000 0.32790918736317 15.999 > 57 61 O 0.35529633588377 0.00000000000000 0.82790918736317 15.999 > 57 62 O 0.85529633588377 0.00000000000000 0.82790918736317 15.999 > 57 63 O 0.35529633588377 0.50000000000000 0.82790918736317 15.999 > 57 64 O 0.85529633588377 0.50000000000000 0.82790918736317 15.999 > 57 65 Na 0.25000000000000 0.38445482580092 0.18290162010297 22.990 > 65 66 Na 0.75000000000000 0.38445482580092 0.18290162010297 22.990 > 65 67 Na 0.25000000000000 0.88445482580092 0.18290162010297 22.990 > 65 68 Na 0.75000000000000 0.88445482580092 0.18290162010297 22.990 > 65 69 Na 0.25000000000000 0.38445482580092 0.68290162010297 22.990 > 65 70 Na 0.75000000000000 0.38445482580092 0.68290162010297 22.990 > 65 71 Na 0.25000000000000 0.88445482580092 0.68290162010297 22.990 > 65 72 Na 0.75000000000000 0.88445482580092 0.68290162010297 22.990 > 65 73 Na 0.25000000000000 0.11554517419908 0.18290162010297 22.990 > 73 74 Na 0.75000000000000 0.11554517419908 0.18290162010297 22.990 > 73 75 Na 0.25000000000000 0.61554517419908 0.18290162010297 22.990 > 73 76 Na 0.75000000000000 0.61554517419908 0.18290162010297 22.990 > 73 77 Na 0.25000000000000 0.11554517419908 0.68290162010297 22.990 > 73 78 Na 0.75000000000000 0.11554517419908 0.68290162010297 22.990 > 73 79 Na 0.25000000000000 0.61554517419908 0.68290162010297 22.990 > 73 80 Na 0.75000000000000 0.61554517419908 0.68290162010297 22.990 > 73 81 Na 0.00000000000000 0.36554517419908 0.31709837989703 22.990 > 81 82 Na 0.50000000000000 0.36554517419908 0.31709837989703 22.990 > 81 83 Na 0.00000000000000 0.86554517419908 0.31709837989703 22.990 > 81 84 Na 0.50000000000000 0.86554517419908 0.31709837989703 22.990 > 81 85 Na 0.00000000000000 0.36554517419908 0.81709837989703 22.990 > 81 86 Na 0.50000000000000 0.36554517419908 0.81709837989703 22.990 > 81 87 Na 0.00000000000000 0.86554517419908 0.81709837989703 22.990 > 81 88 Na 0.50000000000000 0.86554517419908 0.81709837989703 22.990 > 81 89 Na 0.00000000000000 0.13445482580092 0.31709837989703 22.990 > 89 90 Na 0.50000000000000 0.13445482580092 0.31709837989703 22.990 > 89 91 Na 0.00000000000000 0.63445482580092 0.31709837989703 22.990 > 89 92 Na 0.50000000000000 0.63445482580092 0.31709837989703 22.990 > 89 93 Na 0.00000000000000 0.13445482580092 0.81709837989703 22.990 > 89 94 Na 0.50000000000000 0.13445482580092 0.81709837989703 22.990 > 89 95 Na 0.00000000000000 0.63445482580092 0.81709837989703 22.990 > 89 96 Na 0.50000000000000 0.63445482580092 0.81709837989703 22.990 > 89 97 Rb 0.25000000000000 0.25000000000000 0.44594369670842 85.468 > 97 98 Rb 0.75000000000000 0.25000000000000 0.44594369670842 85.468 > 97 99 Rb 0.25000000000000 0.75000000000000 0.44594369670842 85.468 > 97 100 Rb 0.75000000000000 0.75000000000000 0.44594369670842 85.468 > 97 101 Rb 0.25000000000000 0.25000000000000 0.94594369670842 85.468 > 97 102 Rb 0.75000000000000 0.25000000000000 0.94594369670842 85.468 > 97 103 Rb 0.25000000000000 0.75000000000000 0.94594369670842 85.468 > 97 104 Rb 0.75000000000000 0.75000000000000 0.94594369670842 85.468 > 97 105 Rb 0.00000000000000 0.00000000000000 0.05405630329158 85.468 > 105 106 Rb 0.50000000000000 0.00000000000000 0.05405630329158 85.468 > 105 107 Rb 0.00000000000000 0.50000000000000 0.05405630329158 85.468 > 105 108 Rb 0.50000000000000 0.50000000000000 0.05405630329158 85.468 > 105 109 Rb 0.00000000000000 0.00000000000000 0.55405630329158 85.468 > 105 110 Rb 0.50000000000000 0.00000000000000 0.55405630329158 85.468 > 105 111 Rb 0.00000000000000 0.50000000000000 0.55405630329158 85.468 > 105 112 Rb 0.50000000000000 0.50000000000000 0.55405630329158 85.468 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7374210 0.0000000 0.0000000 0.0000000 2.5356766 0.0000000 0.0000000 0.0000000 2.7290017 -------------------------- Born effective charges -------------------------- 1 B 2.4374779 0.0000000 0.0000000 0.0000000 0.1937110 0.0000000 0.0000000 0.0000000 2.3203725 2 B 2.4374779 0.0000000 0.0000000 0.0000000 0.1937110 0.0000000 0.0000000 0.0000000 2.3203725 3 O -2.1380143 0.0000000 -0.4257111 0.0000000 -1.1191658 0.0000000 -0.4307359 0.0000000 -1.6280705 4 O -2.1380143 0.0000000 -0.4257111 0.0000000 -1.1191658 0.0000000 -0.4307359 0.0000000 -1.6280705 5 O -1.5098212 0.0000000 0.0000000 0.0000000 -1.2072504 0.0000000 0.0000000 0.0000000 -2.3104918 6 O -1.5098212 0.0000000 0.0000000 0.0000000 -1.2072504 0.0000000 0.0000000 0.0000000 -2.3104918 7 O -2.1380143 0.0000000 0.4257111 0.0000000 -1.1191658 0.0000000 0.4307359 0.0000000 -1.6280705 8 O -2.1380143 0.0000000 0.4257111 0.0000000 -1.1191658 0.0000000 0.4307359 0.0000000 -1.6280705 9 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 0.0641285 0.0000000 0.0690273 1.0938187 10 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 -0.0641285 0.0000000 -0.0690273 1.0938187 11 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 0.0641285 0.0000000 0.0690273 1.0938187 12 Na 0.9895351 0.0000000 0.0000000 0.0000000 1.0268790 -0.0641285 0.0000000 -0.0690273 1.0938187 13 Rb 1.3693016 0.0000000 0.0000000 0.0000000 1.1981131 0.0000000 0.0000000 0.0000000 1.0586230 14 Rb 1.3693016 0.0000000 0.0000000 0.0000000 1.1981131 0.0000000 0.0000000 0.0000000 1.0586230 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000017 (zzz) -0.00000017 (zzz) -0.00000017 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 8 9 ] 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: 0.72, Number of G-points: 289, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 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 2.163 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 4.041 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.679 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.202 ( 0.000 0.000 0.000) 0.000 6.298 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 7.202 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.356 ( 0.000 0.000 0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 8.051 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 15.880 ( 0.000 0.000 0.000) 0.000 16.042 ( 0.000 0.000 0.000) 0.000 17.269 ( 0.000 0.000 0.000) 0.000 17.341 ( 0.000 0.000 0.000) 0.000 22.762 ( 0.000 0.000 0.000) 0.000 22.798 ( 0.000 0.000 0.000) 0.000 26.280 ( 0.000 0.000 0.000) 0.000 26.307 ( 0.000 0.000 0.000) 0.000 33.883 ( 0.000 0.000 0.000) 0.000 34.776 ( 0.000 0.000 0.000) 0.000 36.804 ( 0.000 0.000 0.000) 0.000 36.877 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( 15.543 0.000 0.000) 15.543 0.389 ( 20.009 0.000 0.000) 20.009 1.272 ( 60.925 0.000 0.000) 60.925 2.150 ( -1.034 0.000 0.000) 1.034 2.326 ( -2.970 0.000 0.000) 2.970 2.458 ( 5.927 0.000 0.000) 5.927 2.880 ( -0.973 0.000 0.000) 0.973 3.328 ( -1.633 0.000 0.000) 1.633 3.416 ( -13.756 0.000 0.000) 13.756 3.613 ( 5.994 0.000 0.000) 5.994 4.129 ( -5.722 0.000 0.000) 5.722 4.191 ( 11.933 0.000 0.000) 11.933 5.044 ( 26.554 0.000 0.000) 26.554 5.177 ( 1.172 0.000 0.000) 1.172 5.611 ( 3.365 0.000 0.000) 3.365 5.781 ( -3.418 0.000 0.000) 3.418 5.948 ( -2.948 0.000 0.000) 2.948 5.952 ( 2.276 0.000 0.000) 2.276 6.289 ( 7.921 0.000 0.000) 7.921 6.332 ( 3.160 0.000 0.000) 3.160 6.590 ( 0.252 0.000 0.000) 0.252 7.333 ( 1.884 0.000 0.000) 1.884 7.370 ( 1.356 0.000 0.000) 1.356 7.444 ( -9.161 0.000 0.000) 9.161 7.505 ( -1.842 0.000 0.000) 1.842 7.740 ( -0.560 0.000 0.000) 0.560 7.761 ( 2.184 0.000 0.000) 2.184 8.028 ( -2.296 0.000 0.000) 2.296 8.620 ( -3.300 0.000 0.000) 3.300 9.487 ( -5.493 0.000 0.000) 5.493 15.983 ( 2.610 0.000 0.000) 2.610 16.062 ( 1.965 0.000 0.000) 1.965 17.271 ( 0.263 0.000 0.000) 0.263 17.333 ( -0.701 0.000 0.000) 0.701 22.763 ( 0.073 0.000 0.000) 0.073 22.796 ( -0.194 0.000 0.000) 0.194 26.272 ( -0.756 0.000 0.000) 0.756 26.293 ( -1.295 0.000 0.000) 1.295 34.876 ( 9.909 0.000 0.000) 9.909 36.542 ( -0.888 0.000 0.000) 0.888 36.772 ( -3.137 0.000 0.000) 3.137 36.831 ( -4.413 0.000 0.000) 4.413 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 17.611 0.000 0.000) 17.611 0.781 ( 19.905 0.000 0.000) 19.905 2.030 ( 1.474 0.000 0.000) 1.474 2.234 ( -6.696 0.000 0.000) 6.696 2.371 ( 35.197 0.000 0.000) 35.197 2.601 ( 8.141 0.000 0.000) 8.141 2.853 ( -1.722 0.000 0.000) 1.722 3.132 ( -14.064 0.000 0.000) 14.064 3.298 ( -1.109 0.000 0.000) 1.109 3.804 ( 8.895 0.000 0.000) 8.895 4.025 ( 2.645 0.000 0.000) 2.645 4.440 ( 13.040 0.000 0.000) 13.040 5.206 ( 1.549 0.000 0.000) 1.549 5.679 ( 16.333 0.000 0.000) 16.333 5.695 ( -4.962 0.000 0.000) 4.962 5.730 ( 27.879 0.000 0.000) 27.879 5.883 ( -3.725 0.000 0.000) 3.725 6.008 ( 3.209 0.000 0.000) 3.209 6.408 ( 4.217 0.000 0.000) 4.217 6.477 ( 10.055 0.000 0.000) 10.055 6.602 ( 1.604 0.000 0.000) 1.604 7.205 ( -15.234 0.000 0.000) 15.234 7.382 ( 2.235 0.000 0.000) 2.235 7.399 ( 1.185 0.000 0.000) 1.185 7.455 ( -2.394 0.000 0.000) 2.394 7.736 ( 0.383 0.000 0.000) 0.383 7.788 ( 0.482 0.000 0.000) 0.482 7.963 ( -4.255 0.000 0.000) 4.255 8.538 ( -4.591 0.000 0.000) 4.591 9.324 ( -11.185 0.000 0.000) 11.185 16.051 ( 4.070 0.000 0.000) 4.070 16.112 ( 2.980 0.000 0.000) 2.980 17.278 ( 0.352 0.000 0.000) 0.352 17.317 ( -0.916 0.000 0.000) 0.916 22.765 ( 0.139 0.000 0.000) 0.139 22.791 ( -0.318 0.000 0.000) 0.318 26.253 ( -1.185 0.000 0.000) 1.185 26.262 ( -1.789 0.000 0.000) 1.789 35.142 ( 16.572 0.000 0.000) 16.572 36.501 ( -3.857 0.000 0.000) 3.857 36.692 ( -4.666 0.000 0.000) 4.666 36.722 ( -6.078 0.000 0.000) 6.078 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 19.467 0.000 0.000) 19.467 1.160 ( 18.698 0.000 0.000) 18.698 1.947 ( -7.000 0.000 0.000) 7.000 2.048 ( -12.652 0.000 0.000) 12.652 2.757 ( 7.416 0.000 0.000) 7.416 2.816 ( -1.877 0.000 0.000) 1.877 2.839 ( 11.719 0.000 0.000) 11.719 2.904 ( -8.659 0.000 0.000) 8.659 3.296 ( 1.182 0.000 0.000) 1.182 3.699 ( -10.734 0.000 0.000) 10.734 4.546 ( 39.601 0.000 0.000) 39.601 4.691 ( 12.481 0.000 0.000) 12.481 5.213 ( -1.848 0.000 0.000) 1.848 5.615 ( -2.187 0.000 0.000) 2.187 5.790 ( 3.837 0.000 0.000) 3.837 5.802 ( -4.502 0.000 0.000) 4.502 6.067 ( 2.735 0.000 0.000) 2.735 6.460 ( 32.456 0.000 0.000) 32.456 6.485 ( 3.452 0.000 0.000) 3.452 6.572 ( 0.567 0.000 0.000) 0.567 6.744 ( 11.613 0.000 0.000) 11.613 6.858 ( -17.869 0.000 0.000) 17.869 7.327 ( -6.322 0.000 0.000) 6.322 7.403 ( -0.962 0.000 0.000) 0.962 7.500 ( 5.318 0.000 0.000) 5.318 7.761 ( 1.995 0.000 0.000) 1.995 7.786 ( -0.299 0.000 0.000) 0.299 7.866 ( -5.670 0.000 0.000) 5.670 8.464 ( -2.274 0.000 0.000) 2.274 9.053 ( -16.185 0.000 0.000) 16.185 16.130 ( 3.760 0.000 0.000) 3.760 16.168 ( 2.487 0.000 0.000) 2.487 17.284 ( 0.255 0.000 0.000) 0.255 17.301 ( -0.649 0.000 0.000) 0.649 22.768 ( 0.197 0.000 0.000) 0.197 22.785 ( -0.348 0.000 0.000) 0.348 26.229 ( -1.103 0.000 0.000) 1.103 26.230 ( -1.360 0.000 0.000) 1.360 35.493 ( 18.624 0.000 0.000) 18.624 36.371 ( -9.454 0.000 0.000) 9.454 36.605 ( -3.780 0.000 0.000) 3.780 36.622 ( -3.923 0.000 0.000) 3.923 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 19.962 0.000 0.000) 19.962 1.500 ( 15.772 0.000 0.000) 15.772 1.744 ( -17.998 0.000 0.000) 17.998 1.768 ( -11.423 0.000 0.000) 11.423 2.787 ( -0.818 0.000 0.000) 0.818 2.798 ( -2.468 0.000 0.000) 2.468 2.880 ( 4.832 0.000 0.000) 4.832 2.933 ( -0.067 0.000 0.000) 0.067 3.355 ( 5.094 0.000 0.000) 5.094 3.497 ( -9.223 0.000 0.000) 9.223 4.923 ( 11.079 0.000 0.000) 11.079 5.114 ( -7.967 0.000 0.000) 7.967 5.325 ( 36.168 0.000 0.000) 36.168 5.628 ( 3.075 0.000 0.000) 3.075 5.710 ( -4.791 0.000 0.000) 4.791 5.784 ( -8.051 0.000 0.000) 8.051 6.124 ( 4.194 0.000 0.000) 4.194 6.351 ( -20.777 0.000 0.000) 20.777 6.539 ( 2.078 0.000 0.000) 2.078 6.567 ( -0.850 0.000 0.000) 0.850 6.973 ( 11.271 0.000 0.000) 11.271 7.095 ( 20.778 0.000 0.000) 20.778 7.174 ( -9.184 0.000 0.000) 9.184 7.344 ( -6.156 0.000 0.000) 6.156 7.618 ( 6.479 0.000 0.000) 6.479 7.746 ( -6.456 0.000 0.000) 6.456 7.790 ( 0.775 0.000 0.000) 0.775 7.795 ( 0.918 0.000 0.000) 0.918 8.490 ( 6.183 0.000 0.000) 6.183 8.722 ( -16.303 0.000 0.000) 16.303 16.187 ( 1.888 0.000 0.000) 1.888 16.200 ( 0.591 0.000 0.000) 0.591 17.288 ( 0.160 0.000 0.000) 0.160 17.292 ( -0.290 0.000 0.000) 0.290 22.773 ( 0.255 0.000 0.000) 0.255 22.778 ( -0.314 0.000 0.000) 0.314 26.212 ( -0.428 0.000 0.000) 0.428 26.213 ( -0.508 0.000 0.000) 0.508 35.845 ( 16.917 0.000 0.000) 16.917 36.144 ( -13.550 0.000 0.000) 13.550 36.556 ( -1.036 0.000 0.000) 1.036 36.565 ( -1.817 0.000 0.000) 1.817 ======================= Grid point 9 (6/125) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 0.000 15.273 0.000) 15.273 0.466 ( 0.000 23.217 0.000) 23.217 0.998 ( 0.000 46.208 0.000) 46.208 2.176 ( 0.000 1.076 0.000) 1.076 2.250 ( 0.000 -12.757 0.000) 12.757 2.396 ( 0.000 3.741 0.000) 3.741 3.312 ( 0.000 -3.252 0.000) 3.252 3.369 ( 0.000 8.894 0.000) 8.894 3.389 ( 0.000 -0.896 0.000) 0.896 3.623 ( 0.000 2.256 0.000) 2.256 4.013 ( 0.000 -15.217 0.000) 15.217 4.142 ( 0.000 9.383 0.000) 9.383 4.820 ( 0.000 5.046 0.000) 5.046 5.324 ( 0.000 6.386 0.000) 6.386 5.531 ( 0.000 -2.586 0.000) 2.586 5.605 ( 0.000 -5.348 0.000) 5.348 5.890 ( 0.000 5.092 0.000) 5.092 6.114 ( 0.000 10.750 0.000) 10.750 6.237 ( 0.000 3.246 0.000) 3.246 6.402 ( 0.000 0.352 0.000) 0.352 6.619 ( 0.000 2.942 0.000) 2.942 7.174 ( 0.000 -2.416 0.000) 2.416 7.291 ( 0.000 -2.388 0.000) 2.388 7.355 ( 0.000 -0.001 0.000) 0.001 7.514 ( 0.000 -3.011 0.000) 3.011 7.596 ( 0.000 -23.141 0.000) 23.141 7.704 ( 0.000 -4.185 0.000) 4.185 7.757 ( 0.000 -8.735 0.000) 8.735 8.955 ( 0.000 20.090 0.000) 20.090 10.222 ( 0.000 -1.971 0.000) 1.971 15.887 ( 0.000 0.621 0.000) 0.621 16.036 ( 0.000 -0.579 0.000) 0.579 17.271 ( 0.000 0.206 0.000) 0.206 17.337 ( 0.000 -0.328 0.000) 0.328 22.809 ( 0.000 0.990 0.000) 0.990 23.024 ( 0.000 -0.698 0.000) 0.698 26.279 ( 0.000 -0.096 0.000) 0.096 26.303 ( 0.000 -0.323 0.000) 0.323 33.915 ( 0.000 3.086 0.000) 3.086 34.740 ( 0.000 -3.484 0.000) 3.484 36.806 ( 0.000 0.220 0.000) 0.220 36.873 ( 0.000 -0.331 0.000) 0.331 ======================= Grid point 10 (7/125) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 12.444 17.459 0.000) 21.439 0.901 ( 12.430 29.939 0.000) 32.417 1.380 ( 48.127 14.657 0.000) 50.309 2.162 ( -1.117 1.076 0.000) 1.551 2.317 ( 4.668 -9.250 0.000) 10.361 2.381 ( -0.089 2.100 0.000) 2.101 3.098 ( -9.393 14.586 0.000) 17.348 3.288 ( -2.251 -3.189 0.000) 3.903 3.524 ( -8.938 7.925 0.000) 11.945 3.586 ( 9.230 -0.585 0.000) 9.249 3.948 ( -4.823 -14.583 0.000) 15.359 4.245 ( 9.520 5.436 0.000) 10.963 5.064 ( 23.438 1.816 0.000) 23.508 5.285 ( -2.571 6.185 0.000) 6.698 5.564 ( 3.260 -2.220 0.000) 3.945 5.709 ( 4.842 -5.996 0.000) 7.707 5.908 ( 1.100 1.552 0.000) 1.902 6.060 ( -3.355 8.481 0.000) 9.120 6.348 ( 9.005 5.688 0.000) 10.651 6.402 ( 1.130 3.105 0.000) 3.304 6.629 ( 1.010 3.653 0.000) 3.790 7.269 ( 1.252 -5.112 0.000) 5.263 7.358 ( 2.994 -2.104 0.000) 3.659 7.378 ( -10.435 -8.797 0.000) 13.648 7.421 ( 8.278 -3.369 0.000) 8.937 7.654 ( 2.214 -19.549 0.000) 19.674 7.713 ( 0.995 -2.895 0.000) 3.061 7.758 ( 0.192 -5.798 0.000) 5.801 8.909 ( -4.503 19.358 0.000) 19.875 9.782 ( -25.643 13.881 0.000) 29.159 15.953 ( 4.432 -1.348 0.000) 4.633 16.056 ( 2.012 -0.533 0.000) 2.081 17.266 ( -0.055 -0.162 0.000) 0.170 17.330 ( -0.672 -0.302 0.000) 0.736 22.806 ( -0.222 0.958 0.000) 0.983 22.873 ( -6.675 5.783 0.000) 8.832 26.258 ( -1.178 -0.769 0.000) 1.406 26.290 ( -1.289 -0.321 0.000) 1.328 34.840 ( 9.985 -3.369 0.000) 10.538 35.278 ( 67.511 -61.368 0.000) 91.235 36.773 ( -3.264 0.104 0.000) 3.266 36.827 ( -4.526 -0.333 0.000) 4.538 ======================= Grid point 11 (8/125) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 16.735 10.878 0.000) 19.960 1.079 ( 9.692 32.401 0.000) 33.819 2.057 ( 1.334 2.684 0.000) 2.997 2.281 ( -5.386 3.646 0.000) 6.504 2.347 ( 31.892 -1.215 0.000) 31.915 2.505 ( 8.840 -6.787 0.000) 11.144 2.991 ( -2.699 12.104 0.000) 12.402 3.223 ( -5.001 1.051 0.000) 5.111 3.341 ( -7.637 9.511 0.000) 12.198 3.762 ( -1.545 -6.407 0.000) 6.591 3.937 ( 16.570 -4.193 0.000) 17.092 4.466 ( 12.213 2.620 0.000) 12.491 5.242 ( -1.736 1.859 0.000) 2.543 5.576 ( 14.475 -9.488 0.000) 17.308 5.705 ( 20.838 2.173 0.000) 20.951 5.724 ( -2.768 2.706 0.000) 3.871 5.965 ( 4.908 -2.467 0.000) 5.493 6.016 ( 0.248 7.934 0.000) 7.938 6.442 ( 2.547 2.245 0.000) 3.395 6.550 ( 10.976 6.697 0.000) 12.858 6.668 ( 3.654 6.325 0.000) 7.304 7.129 ( -14.945 -8.628 0.000) 17.256 7.296 ( 1.904 -6.556 0.000) 6.827 7.385 ( 0.314 -1.871 0.000) 1.897 7.507 ( 0.221 3.144 0.000) 3.152 7.661 ( -1.023 -19.821 0.000) 19.847 7.749 ( 3.020 0.526 0.000) 3.065 7.764 ( 0.190 -3.013 0.000) 3.019 8.790 ( -7.281 17.085 0.000) 18.572 9.383 ( -17.293 4.899 0.000) 17.974 16.041 ( 4.571 -0.726 0.000) 4.628 16.108 ( 3.047 -0.419 0.000) 3.076 17.270 ( 0.415 -0.520 0.000) 0.665 17.314 ( -0.866 -0.227 0.000) 0.895 22.801 ( -0.349 0.890 0.000) 0.956 22.802 ( -1.633 2.998 0.000) 3.414 26.237 ( -1.035 -1.201 0.000) 1.586 26.258 ( -1.773 -0.303 0.000) 1.799 35.107 ( 16.517 -3.256 0.000) 16.835 36.033 ( 18.068 -36.643 0.000) 40.855 36.689 ( -4.921 -0.239 0.000) 4.926 36.710 ( -6.875 -0.508 0.000) 6.894 ======================= Grid point 12 (9/125) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 16.816 6.907 0.000) 18.179 1.303 ( 13.115 25.314 0.000) 28.510 1.981 ( -6.271 3.250 0.000) 7.063 2.135 ( -9.708 7.065 0.000) 12.007 2.664 ( 6.805 -4.575 0.000) 8.200 2.752 ( 8.204 -2.395 0.000) 8.546 2.982 ( 1.749 10.566 0.000) 10.709 3.097 ( -5.926 13.374 0.000) 14.628 3.272 ( -0.319 -1.254 0.000) 1.294 3.613 ( -9.438 -7.885 0.000) 12.298 4.540 ( 38.594 -0.353 0.000) 38.595 4.705 ( 11.938 1.357 0.000) 12.015 5.206 ( -2.443 -0.781 0.000) 2.565 5.655 ( -3.190 3.495 0.000) 4.732 5.667 ( 1.189 -5.848 0.000) 5.967 5.920 ( -0.783 4.860 0.000) 4.923 6.066 ( 4.864 0.187 0.000) 4.868 6.305 ( 18.480 -8.172 0.000) 20.206 6.489 ( 2.034 -0.014 0.000) 2.034 6.716 ( -8.643 1.390 0.000) 8.754 6.789 ( 13.022 6.483 0.000) 14.547 6.880 ( 2.637 5.479 0.000) 6.081 7.339 ( 1.701 -7.446 0.000) 7.637 7.372 ( -1.844 -1.232 0.000) 2.218 7.462 ( -3.184 4.893 0.000) 5.837 7.628 ( -2.289 -16.648 0.000) 16.804 7.766 ( 0.554 -3.116 0.000) 3.165 7.829 ( 4.490 3.821 0.000) 5.896 8.647 ( -6.653 13.058 0.000) 14.656 9.049 ( -17.409 -0.186 0.000) 17.410 16.126 ( 3.912 -0.352 0.000) 3.928 16.165 ( 2.539 -0.299 0.000) 2.557 17.279 ( 0.404 -0.413 0.000) 0.577 17.299 ( -0.611 -0.137 0.000) 0.626 22.786 ( -0.340 1.550 0.000) 1.587 22.794 ( -0.356 0.840 0.000) 0.913 26.218 ( -0.850 -0.943 0.000) 1.269 26.227 ( -1.368 -0.284 0.000) 1.397 35.454 ( 18.190 -3.633 0.000) 18.550 36.181 ( -0.820 -17.737 0.000) 17.756 36.588 ( -4.836 -1.720 0.000) 5.133 36.596 ( -4.193 -0.819 0.000) 4.272 ======================= Grid point 13 (10/125) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 13.174 4.182 0.000) 13.822 1.568 ( 12.195 15.524 0.000) 19.741 1.832 ( -7.697 6.783 0.000) 10.259 1.910 ( -12.481 12.903 0.000) 17.951 2.760 ( 3.147 -1.222 0.000) 3.376 2.797 ( -0.726 0.809 0.000) 1.087 3.016 ( 0.893 8.829 0.000) 8.874 3.029 ( -1.286 12.398 0.000) 12.465 3.311 ( 4.284 -4.131 0.000) 5.951 3.435 ( -8.171 -5.704 0.000) 9.965 4.925 ( 10.307 0.120 0.000) 10.308 5.086 ( -3.771 -2.578 0.000) 4.568 5.325 ( 32.286 -0.458 0.000) 32.289 5.627 ( 0.494 0.463 0.000) 0.678 5.656 ( -1.723 -3.126 0.000) 3.569 5.818 ( -13.239 0.676 0.000) 13.256 6.154 ( 4.826 2.792 0.000) 5.576 6.332 ( -14.799 -1.071 0.000) 14.838 6.509 ( 0.883 -5.298 0.000) 5.371 6.516 ( 0.609 -2.547 0.000) 2.618 7.073 ( 11.029 9.066 0.000) 14.277 7.140 ( 15.300 3.553 0.000) 15.707 7.267 ( -8.323 7.922 0.000) 11.490 7.318 ( -4.386 -4.037 0.000) 5.962 7.478 ( 4.100 -6.852 0.000) 7.985 7.566 ( -4.174 -11.503 0.000) 12.237 7.821 ( 5.206 -1.091 0.000) 5.319 7.888 ( 0.282 4.368 0.000) 4.377 8.572 ( 0.621 6.758 0.000) 6.786 8.723 ( -14.249 0.316 0.000) 14.253 16.185 ( 1.928 -0.228 0.000) 1.941 16.198 ( 0.607 -0.225 0.000) 0.647 17.285 ( 0.269 -0.214 0.000) 0.344 17.291 ( -0.315 -0.111 0.000) 0.334 22.784 ( 0.082 1.028 0.000) 1.032 22.787 ( -0.268 0.861 0.000) 0.902 26.206 ( -0.312 -0.582 0.000) 0.660 26.208 ( -0.518 -0.351 0.000) 0.625 35.792 ( 15.828 -4.993 0.000) 16.597 36.056 ( -10.754 -8.443 0.000) 13.673 36.532 ( -1.152 -2.540 0.000) 2.789 36.537 ( -1.688 -1.677 0.000) 2.379 ======================= Grid point 18 (11/125) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.000 15.044 0.000) 15.044 0.955 ( 0.000 24.408 0.000) 24.408 1.832 ( 0.000 33.489 0.000) 33.489 1.934 ( 0.000 -17.000 0.000) 17.000 2.195 ( 0.000 0.290 0.000) 0.290 2.488 ( 0.000 4.547 0.000) 4.547 3.228 ( 0.000 -4.585 0.000) 4.585 3.373 ( 0.000 -0.429 0.000) 0.429 3.627 ( 0.000 -2.293 0.000) 2.293 3.644 ( 0.000 -19.169 0.000) 19.169 3.672 ( 0.000 21.339 0.000) 21.339 4.396 ( 0.000 14.465 0.000) 14.465 4.964 ( 0.000 8.214 0.000) 8.214 5.424 ( 0.000 2.209 0.000) 2.209 5.488 ( 0.000 -5.936 0.000) 5.936 5.528 ( 0.000 3.072 0.000) 3.072 5.981 ( 0.000 3.110 0.000) 3.110 6.323 ( 0.000 4.777 0.000) 4.777 6.367 ( 0.000 13.198 0.000) 13.198 6.421 ( 0.000 1.601 0.000) 1.601 6.655 ( 0.000 -5.975 0.000) 5.975 7.007 ( 0.000 -23.337 0.000) 23.337 7.119 ( 0.000 -2.380 0.000) 2.380 7.213 ( 0.000 -5.232 0.000) 5.232 7.359 ( 0.000 0.460 0.000) 0.460 7.426 ( 0.000 -5.446 0.000) 5.446 7.581 ( 0.000 -7.612 0.000) 7.612 7.659 ( 0.000 -4.419 0.000) 4.419 9.345 ( 0.000 17.329 0.000) 17.329 10.161 ( 0.000 -4.075 0.000) 4.075 15.905 ( 0.000 1.127 0.000) 1.127 16.018 ( 0.000 -1.067 0.000) 1.067 17.277 ( 0.000 0.404 0.000) 0.404 17.328 ( 0.000 -0.574 0.000) 0.574 22.838 ( 0.000 1.778 0.000) 1.778 23.002 ( 0.000 -1.360 0.000) 1.360 26.277 ( 0.000 -0.105 0.000) 0.105 26.295 ( 0.000 -0.487 0.000) 0.487 34.006 ( 0.000 5.775 0.000) 5.775 34.637 ( 0.000 -6.337 0.000) 6.337 36.813 ( 0.000 0.421 0.000) 0.421 36.864 ( 0.000 -0.576 0.000) 0.576 ======================= Grid point 19 (12/125) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 6.475 22.213 0.000) 23.137 1.224 ( 37.477 8.155 0.000) 38.354 1.909 ( 10.649 28.036 0.000) 29.990 2.060 ( 11.239 -13.618 0.000) 17.657 2.183 ( -1.041 0.480 0.000) 1.147 2.470 ( -1.583 4.678 0.000) 4.939 3.208 ( -1.799 -4.337 0.000) 4.695 3.354 ( -2.463 7.717 0.000) 8.101 3.601 ( -3.106 -15.698 0.000) 16.002 3.647 ( 0.635 2.690 0.000) 2.764 3.707 ( 5.854 14.280 0.000) 15.434 4.425 ( 3.887 12.065 0.000) 12.675 5.110 ( 13.778 2.560 0.000) 14.014 5.337 ( -5.359 -1.110 0.000) 5.473 5.580 ( 5.446 4.085 0.000) 6.808 5.619 ( 9.067 -3.366 0.000) 9.672 5.970 ( -1.594 3.117 0.000) 3.501 6.229 ( -4.625 7.337 0.000) 8.673 6.449 ( 2.081 1.916 0.000) 2.829 6.509 ( 9.097 8.503 0.000) 12.452 6.690 ( 3.976 -4.315 0.000) 5.867 6.959 ( -4.725 -19.558 0.000) 20.121 7.157 ( 0.035 -5.346 0.000) 5.346 7.279 ( 7.130 -5.084 0.000) 8.757 7.389 ( 3.762 -0.625 0.000) 3.814 7.401 ( -2.242 -6.646 0.000) 7.014 7.621 ( 4.072 -6.009 0.000) 7.259 7.673 ( 1.071 -4.465 0.000) 4.591 9.283 ( -6.136 16.468 0.000) 17.574 9.925 ( -20.669 1.713 0.000) 20.739 15.945 ( 3.674 0.415 0.000) 3.698 16.040 ( 2.144 -0.984 0.000) 2.359 17.269 ( -0.553 0.385 0.000) 0.674 17.321 ( -0.606 -0.545 0.000) 0.815 22.834 ( -0.340 1.678 0.000) 1.712 22.939 ( -4.853 1.159 0.000) 4.989 26.250 ( -2.009 -0.088 0.000) 2.011 26.281 ( -1.304 -0.520 0.000) 1.404 34.565 ( 44.797 -15.550 0.000) 47.419 34.744 ( 10.476 -5.836 0.000) 11.992 36.776 ( -3.579 0.246 0.000) 3.587 36.818 ( -4.511 -0.552 0.000) 4.545 ======================= Grid point 20 (13/125) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 11.304 17.594 0.000) 20.912 1.650 ( 9.632 20.368 0.000) 22.531 2.125 ( -1.500 2.847 0.000) 3.218 2.273 ( 6.675 -5.766 0.000) 8.821 2.364 ( 25.464 3.772 0.000) 25.742 2.459 ( 3.103 3.423 0.000) 4.620 3.170 ( -1.635 -3.926 0.000) 4.253 3.296 ( -2.546 14.454 0.000) 14.677 3.533 ( -4.277 -10.979 0.000) 11.783 3.607 ( -4.672 12.615 0.000) 13.453 3.973 ( 22.270 7.630 0.000) 23.540 4.559 ( 9.126 6.806 0.000) 11.385 5.242 ( -4.130 -1.643 0.000) 4.444 5.405 ( 12.863 -6.491 0.000) 14.408 5.758 ( 12.802 2.323 0.000) 13.011 5.773 ( 4.219 0.394 0.000) 4.238 5.941 ( 1.120 0.314 0.000) 1.163 6.161 ( -2.051 5.749 0.000) 6.104 6.479 ( 0.786 1.365 0.000) 1.575 6.675 ( 5.475 -5.426 0.000) 7.708 6.818 ( 5.459 -5.998 0.000) 8.110 6.858 ( 0.970 7.129 0.000) 7.195 7.143 ( -0.718 -7.309 0.000) 7.344 7.347 ( 1.017 -1.866 0.000) 2.125 7.350 ( -2.673 -9.294 0.000) 9.670 7.524 ( 6.771 -1.642 0.000) 6.967 7.687 ( 0.191 -4.527 0.000) 4.531 7.728 ( 6.535 -2.917 0.000) 7.156 9.117 ( -10.448 14.072 0.000) 17.527 9.482 ( -22.799 3.975 0.000) 23.143 16.031 ( 4.765 -0.079 0.000) 4.766 16.095 ( 3.244 -0.774 0.000) 3.335 17.264 ( 0.156 0.021 0.000) 0.158 17.307 ( -0.735 -0.438 0.000) 0.855 22.826 ( -0.491 1.461 0.000) 1.541 22.860 ( -2.927 2.190 0.000) 3.655 26.217 ( -1.274 -0.593 0.000) 1.406 26.250 ( -1.742 -0.539 0.000) 1.824 35.019 ( 16.700 -5.008 0.000) 17.434 35.350 ( 31.224 -26.177 0.000) 40.746 36.684 ( -5.526 -0.256 0.000) 5.532 36.700 ( -7.078 -0.517 0.000) 7.097 ======================= Grid point 21 (14/125) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 12.793 12.940 0.000) 18.197 1.789 ( 5.770 19.006 0.000) 19.862 2.067 ( -3.594 4.402 0.000) 5.683 2.263 ( -4.588 3.887 0.000) 6.013 2.616 ( 9.368 0.215 0.000) 9.371 2.725 ( 10.455 -0.328 0.000) 10.460 3.158 ( 0.594 -4.096 0.000) 4.139 3.268 ( -0.397 12.364 0.000) 12.370 3.434 ( -5.594 -3.425 0.000) 6.559 3.492 ( -6.384 18.604 0.000) 19.669 4.545 ( 33.316 1.133 0.000) 33.335 4.750 ( 9.860 3.171 0.000) 10.357 5.179 ( -2.335 -1.744 0.000) 2.915 5.563 ( 4.351 -4.065 0.000) 5.954 5.746 ( -4.139 5.212 0.000) 6.656 5.928 ( -0.473 -6.128 0.000) 6.146 6.056 ( 8.026 -2.505 0.000) 8.408 6.205 ( 7.500 -1.010 0.000) 7.568 6.477 ( -1.088 -0.868 0.000) 1.392 6.567 ( -11.150 -11.216 0.000) 15.816 6.995 ( 13.502 9.472 0.000) 16.493 7.075 ( 13.639 11.891 0.000) 18.095 7.137 ( 0.130 -9.094 0.000) 9.095 7.314 ( 0.048 -11.174 0.000) 11.174 7.364 ( 1.056 -0.315 0.000) 1.102 7.582 ( -0.949 4.156 0.000) 4.263 7.684 ( 0.013 -4.796 0.000) 4.796 7.862 ( 6.393 -0.932 0.000) 6.461 8.897 ( -11.291 10.551 0.000) 15.454 9.061 ( -19.957 1.560 0.000) 20.017 16.120 ( 4.038 -0.151 0.000) 4.041 16.156 ( 2.715 -0.526 0.000) 2.766 17.272 ( 0.499 -0.180 0.000) 0.530 17.295 ( -0.490 -0.273 0.000) 0.560 22.816 ( -0.423 1.283 0.000) 1.351 22.822 ( -1.116 1.757 0.000) 2.081 26.199 ( -0.585 -0.742 0.000) 0.945 26.218 ( -1.347 -0.487 0.000) 1.432 35.359 ( 17.201 -5.132 0.000) 17.950 35.760 ( 11.453 -20.358 0.000) 23.359 36.564 ( -6.096 -0.767 0.000) 6.144 36.576 ( -5.053 -1.010 0.000) 5.153 ======================= Grid point 22 (15/125) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 10.913 9.314 0.000) 14.347 1.833 ( -3.624 9.852 0.000) 10.497 2.040 ( 3.031 10.704 0.000) 11.125 2.150 ( -6.469 8.648 0.000) 10.800 2.765 ( 5.437 1.458 0.000) 5.629 2.819 ( 0.307 1.230 0.000) 1.268 3.197 ( 3.254 -5.960 0.000) 6.791 3.260 ( -1.732 -2.372 0.000) 2.937 3.344 ( -1.819 14.806 0.000) 14.917 3.382 ( -4.406 21.016 0.000) 21.473 4.927 ( 7.803 0.120 0.000) 7.803 5.017 ( 2.716 -3.850 0.000) 4.711 5.284 ( 22.705 -3.731 0.000) 23.009 5.605 ( -0.539 -2.612 0.000) 2.667 5.674 ( -2.578 4.362 0.000) 5.067 5.758 ( -15.056 -6.122 0.000) 16.253 6.206 ( 7.185 0.309 0.000) 7.192 6.337 ( 0.299 0.978 0.000) 1.022 6.370 ( -3.440 -7.035 0.000) 7.831 6.436 ( -3.081 -4.013 0.000) 5.059 7.147 ( 0.778 -9.649 0.000) 9.681 7.152 ( 1.589 -5.158 0.000) 5.397 7.298 ( 8.817 10.740 0.000) 13.896 7.386 ( 0.331 2.073 0.000) 2.100 7.413 ( 6.077 1.070 0.000) 6.171 7.507 ( -5.678 7.804 0.000) 9.651 7.757 ( 9.515 -4.600 0.000) 10.569 7.921 ( -2.583 -1.080 0.000) 2.800 8.714 ( -5.961 6.263 0.000) 8.646 8.744 ( -10.267 1.809 0.000) 10.425 16.180 ( 1.928 -0.199 0.000) 1.938 16.192 ( 0.707 -0.322 0.000) 0.777 17.281 ( 0.403 -0.162 0.000) 0.434 17.288 ( -0.315 -0.158 0.000) 0.352 22.810 ( -0.231 1.383 0.000) 1.402 22.810 ( -0.195 1.241 0.000) 1.256 26.193 ( -0.017 -0.590 0.000) 0.591 26.199 ( -0.639 -0.470 0.000) 0.793 35.659 ( 12.802 -7.225 0.000) 14.701 35.829 ( -3.580 -12.399 0.000) 12.905 36.487 ( -1.549 -1.673 0.000) 2.280 36.499 ( -2.553 -1.767 0.000) 3.105 ======================= Grid point 27 (16/125) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 15.068 0.000) 15.068 1.454 ( 0.000 23.742 0.000) 23.742 1.583 ( 0.000 -16.897 0.000) 16.897 2.145 ( 0.000 -6.288 0.000) 6.288 2.335 ( 0.000 15.755 0.000) 15.755 2.557 ( 0.000 1.591 0.000) 1.591 3.142 ( 0.000 -3.225 0.000) 3.225 3.291 ( 0.000 -13.649 0.000) 13.649 3.383 ( 0.000 1.656 0.000) 1.656 3.544 ( 0.000 -5.096 0.000) 5.096 4.241 ( 0.000 32.417 0.000) 32.417 4.692 ( 0.000 13.031 0.000) 13.031 5.121 ( 0.000 6.750 0.000) 6.750 5.366 ( 0.000 -5.916 0.000) 5.916 5.406 ( 0.000 -3.094 0.000) 3.094 5.661 ( 0.000 9.258 0.000) 9.258 5.988 ( 0.000 -2.930 0.000) 2.930 6.093 ( 0.000 -36.357 0.000) 36.357 6.416 ( 0.000 3.829 0.000) 3.829 6.459 ( 0.000 1.595 0.000) 1.595 6.636 ( 0.000 12.705 0.000) 12.705 6.968 ( 0.000 8.122 0.000) 8.122 7.075 ( 0.000 -8.059 0.000) 8.059 7.103 ( 0.000 1.079 0.000) 1.079 7.300 ( 0.000 -6.561 0.000) 6.561 7.356 ( 0.000 -4.399 0.000) 4.399 7.425 ( 0.000 -3.469 0.000) 3.469 7.561 ( 0.000 -4.990 0.000) 4.990 9.658 ( 0.000 13.216 0.000) 13.216 10.053 ( 0.000 -6.513 0.000) 6.513 15.932 ( 0.000 1.439 0.000) 1.439 15.993 ( 0.000 -1.396 0.000) 1.396 17.287 ( 0.000 0.574 0.000) 0.574 17.315 ( 0.000 -0.693 0.000) 0.693 22.879 ( 0.000 2.212 0.000) 2.212 22.969 ( 0.000 -1.913 0.000) 1.913 26.275 ( 0.000 0.016 0.000) 0.016 26.285 ( 0.000 -0.435 0.000) 0.435 34.146 ( 0.000 7.697 0.000) 7.697 34.487 ( 0.000 -8.094 0.000) 8.094 36.823 ( 0.000 0.583 0.000) 0.583 36.850 ( 0.000 -0.691 0.000) 0.691 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 33.942 7.899 0.000) 34.849 1.482 ( 3.317 22.249 0.000) 22.495 1.791 ( 17.935 -12.182 0.000) 21.681 2.135 ( -0.838 -5.770 0.000) 5.830 2.349 ( 2.123 13.799 0.000) 13.961 2.541 ( -1.279 1.702 0.000) 2.129 3.127 ( -1.400 -3.026 0.000) 3.334 3.262 ( -2.309 -12.048 0.000) 12.267 3.470 ( 8.072 2.972 0.000) 8.602 3.633 ( 7.855 -3.291 0.000) 8.517 4.231 ( 0.049 31.950 0.000) 31.950 4.698 ( 0.840 12.461 0.000) 12.490 5.178 ( 5.803 4.530 0.000) 7.361 5.284 ( -4.512 -2.760 0.000) 5.289 5.518 ( 7.545 -6.941 0.000) 10.252 5.692 ( 2.410 3.588 0.000) 4.322 6.000 ( 0.298 -0.773 0.000) 0.829 6.108 ( 1.273 -30.051 0.000) 30.078 6.374 ( -2.228 4.390 0.000) 4.923 6.476 ( 1.324 0.343 0.000) 1.368 6.742 ( 8.920 10.113 0.000) 13.485 6.993 ( 2.772 9.751 0.000) 10.137 7.065 ( -1.383 -4.085 0.000) 4.312 7.171 ( 6.899 -4.274 0.000) 8.116 7.275 ( -2.185 -5.783 0.000) 6.182 7.374 ( 2.007 -2.330 0.000) 3.075 7.486 ( 5.782 -5.431 0.000) 7.933 7.573 ( 1.030 -4.976 0.000) 5.081 9.576 ( -8.155 12.054 0.000) 14.554 9.898 ( -14.839 -3.761 0.000) 15.308 15.963 ( 2.981 1.156 0.000) 3.197 16.017 ( 2.339 -1.285 0.000) 2.669 17.279 ( -0.621 0.640 0.000) 0.892 17.308 ( -0.557 -0.692 0.000) 0.889 22.872 ( -0.652 1.972 0.000) 2.077 22.939 ( -2.591 -0.859 0.000) 2.730 26.252 ( -2.005 0.257 0.000) 2.021 26.270 ( -1.418 -0.551 0.000) 1.522 34.430 ( 25.698 -0.355 0.000) 25.700 34.613 ( 12.161 -6.643 0.000) 13.857 36.783 ( -3.942 0.416 0.000) 3.964 36.806 ( -4.425 -0.626 0.000) 4.469 ======================= Grid point 29 (18/125) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 6.598 18.959 0.000) 20.075 1.915 ( 16.438 7.496 0.000) 18.066 2.120 ( -0.704 -4.069 0.000) 4.129 2.143 ( 14.744 -6.008 0.000) 15.921 2.476 ( 11.949 5.154 0.000) 13.013 2.532 ( 1.692 2.385 0.000) 2.924 3.096 ( -1.510 -2.758 0.000) 3.144 3.212 ( -2.691 -10.284 0.000) 10.630 3.658 ( 9.477 9.970 0.000) 13.756 3.783 ( 6.002 3.973 0.000) 7.197 4.305 ( 9.441 24.860 0.000) 26.592 4.739 ( 3.588 9.159 0.000) 9.837 5.205 ( -3.501 -1.004 0.000) 3.642 5.338 ( 9.781 0.802 0.000) 9.814 5.683 ( 9.175 -8.924 0.000) 12.799 5.719 ( -0.326 -11.313 0.000) 11.317 5.977 ( -2.567 2.366 0.000) 3.490 6.127 ( 0.623 -12.370 0.000) 12.386 6.376 ( 2.330 -0.838 0.000) 2.476 6.489 ( -0.282 -0.829 0.000) 0.875 6.939 ( 10.470 7.690 0.000) 12.991 7.034 ( -1.608 -2.802 0.000) 3.230 7.084 ( 6.113 9.654 0.000) 11.427 7.240 ( 0.100 -0.642 0.000) 0.649 7.301 ( 4.717 -3.114 0.000) 5.652 7.462 ( 7.236 -3.541 0.000) 8.056 7.590 ( 0.372 -4.571 0.000) 4.586 7.629 ( 8.295 -6.425 0.000) 10.492 9.355 ( -13.815 9.120 0.000) 16.554 9.529 ( -21.531 0.346 0.000) 21.534 16.038 ( 4.396 0.673 0.000) 4.447 16.077 ( 3.552 -1.001 0.000) 3.690 17.270 ( -0.180 0.516 0.000) 0.546 17.297 ( -0.570 -0.606 0.000) 0.832 22.857 ( -0.854 1.477 0.000) 1.706 22.887 ( -2.431 0.455 0.000) 2.473 26.214 ( -1.637 0.243 0.000) 1.655 26.237 ( -1.736 -0.667 0.000) 1.860 34.921 ( 18.049 -4.009 0.000) 18.489 34.984 ( 27.412 -10.426 0.000) 29.328 36.680 ( -6.183 -0.046 0.000) 6.183 36.690 ( -6.987 -0.461 0.000) 7.002 ======================= Grid point 30 (19/125) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 8.134 14.489 0.000) 16.616 2.066 ( 0.759 8.708 0.000) 8.741 2.113 ( 1.553 -0.594 0.000) 1.663 2.280 ( 0.460 -1.576 0.000) 1.641 2.652 ( 9.046 2.284 0.000) 9.330 2.722 ( 10.124 -0.635 0.000) 10.144 3.077 ( -0.295 -2.982 0.000) 2.996 3.160 ( -2.542 -8.313 0.000) 8.693 3.782 ( 3.226 20.216 0.000) 20.472 3.846 ( 0.784 14.003 0.000) 14.025 4.617 ( 20.330 7.356 0.000) 21.620 4.832 ( 5.475 4.150 0.000) 6.870 5.150 ( -1.851 -0.427 0.000) 1.899 5.502 ( 4.428 -3.682 0.000) 5.759 5.680 ( -2.154 -14.631 0.000) 14.789 5.847 ( 3.606 1.385 0.000) 3.863 5.936 ( 2.366 -5.845 0.000) 6.305 6.152 ( 2.277 -6.301 0.000) 6.700 6.414 ( 0.480 -0.946 0.000) 1.061 6.466 ( -1.914 -0.364 0.000) 1.948 7.005 ( -1.238 -3.556 0.000) 3.765 7.043 ( -0.953 -3.813 0.000) 3.930 7.271 ( 14.105 7.863 0.000) 16.148 7.352 ( 10.611 11.621 0.000) 15.736 7.369 ( 3.032 1.022 0.000) 3.199 7.584 ( -0.782 -4.115 0.000) 4.189 7.595 ( 4.759 -2.781 0.000) 5.512 7.789 ( 7.481 -5.996 0.000) 9.588 9.064 ( -15.138 5.566 0.000) 16.129 9.105 ( -20.620 2.210 0.000) 20.738 16.121 ( 3.845 0.305 0.000) 3.857 16.144 ( 3.033 -0.643 0.000) 3.100 17.273 ( 0.316 0.232 0.000) 0.392 17.288 ( -0.275 -0.391 0.000) 0.478 22.842 ( -0.630 1.084 0.000) 1.254 22.850 ( -1.279 0.883 0.000) 1.554 26.191 ( -0.698 -0.016 0.000) 0.698 26.207 ( -1.223 -0.571 0.000) 1.350 35.269 ( 16.492 -2.962 0.000) 16.755 35.419 ( 16.164 -12.182 0.000) 20.240 36.553 ( -6.402 -0.353 0.000) 6.412 36.559 ( -5.810 -0.658 0.000) 5.847 ======================= Grid point 31 (20/125) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 7.438 10.255 0.000) 12.668 2.008 ( -5.021 7.061 0.000) 8.664 2.176 ( 3.645 2.532 0.000) 4.438 2.244 ( -3.131 0.943 0.000) 3.270 2.800 ( 5.068 1.361 0.000) 5.247 2.836 ( 1.678 -0.028 0.000) 1.678 3.085 ( 1.083 -4.026 0.000) 4.170 3.115 ( -1.951 -6.008 0.000) 6.317 3.817 ( 1.097 23.437 0.000) 23.463 3.838 ( -1.031 20.967 0.000) 20.992 4.932 ( 4.229 0.462 0.000) 4.254 4.942 ( 7.224 -2.952 0.000) 7.804 5.184 ( 8.838 -5.276 0.000) 10.293 5.419 ( -10.769 -15.428 0.000) 18.814 5.715 ( 4.055 3.203 0.000) 5.167 5.797 ( -4.263 7.041 0.000) 8.231 6.090 ( 8.408 -9.899 0.000) 12.988 6.187 ( -0.542 -9.060 0.000) 9.076 6.399 ( -0.750 2.845 0.000) 2.942 6.421 ( -2.396 1.509 0.000) 2.832 6.991 ( -0.084 -5.155 0.000) 5.155 7.006 ( -1.688 -6.058 0.000) 6.289 7.430 ( 2.998 2.766 0.000) 4.079 7.455 ( 2.823 6.065 0.000) 6.690 7.558 ( 3.561 5.728 0.000) 6.745 7.624 ( -1.662 1.976 0.000) 2.582 7.670 ( 14.949 -0.939 0.000) 14.979 7.865 ( -2.096 -3.650 0.000) 4.209 8.791 ( -8.899 2.484 0.000) 9.240 8.809 ( -9.222 2.805 0.000) 9.639 16.178 ( 1.731 0.010 0.000) 1.731 16.185 ( 0.968 -0.296 0.000) 1.013 17.280 ( 0.330 0.020 0.000) 0.330 17.284 ( -0.179 -0.161 0.000) 0.241 22.833 ( -0.207 0.917 0.000) 0.941 22.835 ( -0.377 0.908 0.000) 0.983 26.185 ( -0.013 -0.206 0.000) 0.207 26.190 ( -0.566 -0.376 0.000) 0.679 35.529 ( 9.269 -4.705 0.000) 10.395 35.602 ( 2.478 -8.770 0.000) 9.114 36.463 ( -2.292 -0.672 0.000) 2.388 36.470 ( -2.813 -1.023 0.000) 2.993 ======================= Grid point 36 (21/125) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.000 -15.758 0.000) 15.758 1.248 ( 0.000 15.758 0.000) 15.758 1.894 ( 0.000 -17.972 0.000) 17.972 1.894 ( 0.000 17.972 0.000) 17.972 2.531 ( 0.000 -4.581 0.000) 4.581 2.531 ( 0.000 4.581 0.000) 4.581 3.126 ( 0.000 -2.663 0.000) 2.663 3.126 ( 0.000 2.663 0.000) 2.663 3.444 ( 0.000 -4.208 0.000) 4.208 3.444 ( 0.000 4.208 0.000) 4.208 4.790 ( 0.000 -11.183 0.000) 11.183 4.790 ( 0.000 11.183 0.000) 11.183 5.246 ( 0.000 -5.782 0.000) 5.782 5.246 ( 0.000 5.782 0.000) 5.782 5.459 ( 0.000 -17.242 0.000) 17.242 5.459 ( 0.000 17.242 0.000) 17.242 5.861 ( 0.000 -8.948 0.000) 8.948 5.861 ( 0.000 8.948 0.000) 8.948 6.468 ( 0.000 -1.027 0.000) 1.027 6.468 ( 0.000 1.027 0.000) 1.027 6.879 ( 0.000 -10.836 0.000) 10.836 6.879 ( 0.000 10.836 0.000) 10.836 7.167 ( 0.000 -10.454 0.000) 10.454 7.167 ( 0.000 10.454 0.000) 10.454 7.173 ( 0.000 -5.291 0.000) 5.291 7.173 ( 0.000 5.291 0.000) 5.291 7.465 ( 0.000 -4.039 0.000) 4.039 7.465 ( 0.000 4.039 0.000) 4.039 9.890 ( 0.000 -9.523 0.000) 9.523 9.890 ( 0.000 9.523 0.000) 9.523 15.963 ( 0.000 -1.527 0.000) 1.527 15.963 ( 0.000 1.527 0.000) 1.527 17.300 ( 0.000 -0.683 0.000) 0.683 17.300 ( 0.000 0.683 0.000) 0.683 22.925 ( 0.000 -2.238 0.000) 2.238 22.925 ( 0.000 2.238 0.000) 2.238 26.278 ( 0.000 -0.233 0.000) 0.233 26.278 ( 0.000 0.233 0.000) 0.233 34.315 ( 0.000 -8.538 0.000) 8.538 34.315 ( 0.000 8.538 0.000) 8.538 36.836 ( 0.000 -0.683 0.000) 0.683 36.836 ( 0.000 0.683 0.000) 0.683 ======================= Grid point 38 (22/125) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 25.981 -9.817 0.000) 27.774 1.560 ( 25.981 9.817 0.000) 27.774 1.900 ( 0.802 -16.859 0.000) 16.878 1.900 ( 0.802 16.859 0.000) 16.878 2.521 ( -0.603 -4.044 0.000) 4.089 2.521 ( -0.603 4.044 0.000) 4.089 3.112 ( -1.269 -2.487 0.000) 2.792 3.112 ( -1.269 2.487 0.000) 2.792 3.547 ( 9.903 -4.368 0.000) 10.823 3.547 ( 9.903 4.368 0.000) 10.823 4.777 ( -0.862 -11.799 0.000) 11.831 4.777 ( -0.862 11.799 0.000) 11.831 5.287 ( 3.873 -1.657 0.000) 4.213 5.287 ( 3.873 1.657 0.000) 4.213 5.422 ( -2.764 -10.145 0.000) 10.515 5.422 ( -2.764 10.145 0.000) 10.515 5.934 ( 5.661 -4.789 0.000) 7.415 5.934 ( 5.661 4.789 0.000) 7.415 6.453 ( -1.129 -2.670 0.000) 2.899 6.453 ( -1.129 2.670 0.000) 2.899 6.936 ( 5.285 -8.406 0.000) 9.929 6.936 ( 5.285 8.406 0.000) 9.929 7.157 ( -0.495 -0.933 0.000) 1.057 7.157 ( -0.495 0.933 0.000) 1.057 7.228 ( 5.368 -8.119 0.000) 9.733 7.228 ( 5.368 8.119 0.000) 9.733 7.484 ( 1.778 -3.321 0.000) 3.767 7.484 ( 1.778 3.321 0.000) 3.767 9.779 ( -10.911 -7.830 0.000) 13.430 9.779 ( -10.911 7.830 0.000) 13.430 15.989 ( 2.596 -1.374 0.000) 2.937 15.989 ( 2.596 1.374 0.000) 2.937 17.294 ( -0.569 -0.728 0.000) 0.924 17.294 ( -0.569 0.728 0.000) 0.924 22.911 ( -1.318 -1.734 0.000) 2.178 22.911 ( -1.318 1.734 0.000) 2.178 26.259 ( -1.683 -0.449 0.000) 1.742 26.259 ( -1.683 0.449 0.000) 1.742 34.488 ( 16.411 -5.078 0.000) 17.179 34.488 ( 16.411 5.078 0.000) 17.179 36.793 ( -4.239 -0.564 0.000) 4.276 36.793 ( -4.239 0.564 0.000) 4.276 ======================= Grid point 40 (23/125) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 2.430 -13.691 0.000) 13.905 1.931 ( 2.430 13.691 0.000) 13.905 2.034 ( 18.216 -4.594 0.000) 18.786 2.034 ( 18.216 4.594 0.000) 18.786 2.542 ( 4.091 -1.396 0.000) 4.322 2.542 ( 4.091 1.396 0.000) 4.322 3.083 ( -1.533 -2.210 0.000) 2.690 3.083 ( -1.533 2.210 0.000) 2.690 3.785 ( 12.977 -3.120 0.000) 13.346 3.785 ( 12.977 3.120 0.000) 13.346 4.776 ( 1.117 -11.639 0.000) 11.692 4.776 ( 1.117 11.639 0.000) 11.692 5.310 ( -3.173 -16.517 0.000) 16.819 5.310 ( -3.173 16.517 0.000) 16.819 5.462 ( 8.654 -10.537 0.000) 13.635 5.462 ( 8.654 10.537 0.000) 13.635 6.014 ( 1.726 -1.462 0.000) 2.262 6.014 ( 1.726 1.462 0.000) 2.262 6.440 ( 0.011 -3.651 0.000) 3.651 6.440 ( 0.011 3.651 0.000) 3.651 7.017 ( 0.636 -0.164 0.000) 0.656 7.017 ( 0.636 0.164 0.000) 0.656 7.205 ( 7.260 -5.602 0.000) 9.170 7.205 ( 7.260 5.602 0.000) 9.170 7.367 ( 8.090 -7.708 0.000) 11.173 7.367 ( 8.090 7.708 0.000) 11.173 7.532 ( 3.242 -0.406 0.000) 3.268 7.532 ( 3.242 0.406 0.000) 3.268 9.491 ( -17.690 -4.142 0.000) 18.168 9.491 ( -17.690 4.142 0.000) 18.168 16.056 ( 3.945 -1.011 0.000) 4.073 16.056 ( 3.945 1.011 0.000) 4.073 17.283 ( -0.399 -0.671 0.000) 0.781 17.283 ( -0.399 0.671 0.000) 0.781 22.882 ( -1.530 -0.835 0.000) 1.743 22.882 ( -1.530 0.835 0.000) 1.743 26.223 ( -1.746 -0.622 0.000) 1.853 26.223 ( -1.746 0.622 0.000) 1.853 34.880 ( 21.602 -0.722 0.000) 21.614 34.880 ( 21.602 0.722 0.000) 21.614 36.682 ( -6.691 -0.244 0.000) 6.695 36.682 ( -6.691 0.244 0.000) 6.695 ======================= Grid point 42 (24/125) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 3.505 -9.970 0.000) 10.568 1.991 ( 3.505 9.970 0.000) 10.568 2.214 ( 2.230 -4.908 0.000) 5.391 2.214 ( 2.230 4.908 0.000) 5.391 2.693 ( 9.063 -1.811 0.000) 9.243 2.693 ( 9.063 1.811 0.000) 9.243 3.058 ( -0.874 -1.610 0.000) 1.832 3.058 ( -0.874 1.610 0.000) 1.832 4.001 ( 8.247 -0.250 0.000) 8.251 4.001 ( 8.247 0.250 0.000) 8.251 4.832 ( 4.578 -7.715 0.000) 8.970 4.832 ( 4.578 7.715 0.000) 8.970 5.231 ( -4.378 -12.028 0.000) 12.800 5.231 ( -4.378 12.028 0.000) 12.800 5.673 ( 11.299 -9.168 0.000) 14.551 5.673 ( 11.299 9.168 0.000) 14.551 6.012 ( -1.029 -6.538 0.000) 6.618 6.012 ( -1.029 6.538 0.000) 6.618 6.444 ( 0.037 -1.900 0.000) 1.900 6.444 ( 0.037 1.900 0.000) 1.900 6.984 ( -2.672 -1.220 0.000) 2.938 6.984 ( -2.672 1.220 0.000) 2.938 7.391 ( 9.353 -0.961 0.000) 9.402 7.391 ( 9.353 0.961 0.000) 9.402 7.503 ( 5.145 -4.315 0.000) 6.715 7.503 ( 5.145 4.315 0.000) 6.715 7.629 ( 7.135 -8.776 0.000) 11.310 7.629 ( 7.135 8.776 0.000) 11.310 9.126 ( -18.494 -0.664 0.000) 18.506 9.126 ( -18.494 0.664 0.000) 18.506 16.131 ( 3.448 -0.596 0.000) 3.499 16.131 ( 3.448 0.596 0.000) 3.499 17.280 ( 0.013 -0.419 0.000) 0.419 17.280 ( 0.013 0.419 0.000) 0.419 22.856 ( -0.982 -0.261 0.000) 1.016 22.856 ( -0.982 0.261 0.000) 1.016 26.196 ( -0.982 -0.455 0.000) 1.082 26.196 ( -0.982 0.455 0.000) 1.082 35.265 ( 16.559 -3.171 0.000) 16.860 35.265 ( 16.559 3.171 0.000) 16.860 36.550 ( -6.267 -0.124 0.000) 6.269 36.550 ( -6.267 0.124 0.000) 6.269 ======================= Grid point 44 (25/125) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 2.192 -4.474 0.000) 4.982 2.052 ( 2.192 4.474 0.000) 4.982 2.214 ( -0.871 -2.828 0.000) 2.959 2.214 ( -0.871 2.828 0.000) 2.959 2.819 ( 3.279 -0.969 0.000) 3.419 2.819 ( 3.279 0.969 0.000) 3.419 3.050 ( -0.096 -0.574 0.000) 0.582 3.050 ( -0.096 0.574 0.000) 0.582 4.101 ( 2.273 -0.358 0.000) 2.301 4.101 ( 2.273 0.358 0.000) 2.301 4.931 ( 4.307 -1.320 0.000) 4.505 4.931 ( 4.307 1.320 0.000) 4.505 5.149 ( -3.432 -5.678 0.000) 6.634 5.149 ( -3.432 5.678 0.000) 6.634 5.835 ( 3.860 -6.909 0.000) 7.914 5.835 ( 3.860 6.909 0.000) 7.914 6.011 ( 1.132 -6.821 0.000) 6.915 6.011 ( 1.132 6.821 0.000) 6.915 6.437 ( -0.553 -0.525 0.000) 0.762 6.437 ( -0.553 0.525 0.000) 0.762 6.941 ( -1.363 -0.310 0.000) 1.398 6.941 ( -1.363 0.310 0.000) 1.398 7.500 ( 1.950 -3.512 0.000) 4.017 7.500 ( 1.950 3.512 0.000) 4.017 7.589 ( 3.145 -3.959 0.000) 5.056 7.589 ( 3.145 3.959 0.000) 5.056 7.775 ( 5.746 -5.718 0.000) 8.106 7.775 ( 5.746 5.718 0.000) 8.106 8.829 ( -9.688 -0.752 0.000) 9.717 8.829 ( -9.688 0.752 0.000) 9.717 16.180 ( 1.358 -0.195 0.000) 1.372 16.180 ( 1.358 0.195 0.000) 1.372 17.281 ( 0.080 -0.132 0.000) 0.154 17.281 ( 0.080 0.132 0.000) 0.154 22.844 ( -0.314 -0.046 0.000) 0.317 22.844 ( -0.314 0.046 0.000) 0.317 26.184 ( -0.285 -0.155 0.000) 0.324 26.184 ( -0.285 0.155 0.000) 0.324 35.493 ( 6.176 -1.633 0.000) 6.388 35.493 ( 6.176 1.633 0.000) 6.388 36.458 ( -2.692 -0.170 0.000) 2.697 36.458 ( -2.692 0.170 0.000) 2.697 ======================= Grid point 81 (26/125) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 0.000 0.000 19.438) 19.438 0.421 ( 0.000 0.000 21.233) 21.233 1.067 ( 0.000 0.000 49.591) 49.591 2.262 ( 0.000 0.000 8.092) 8.092 2.337 ( 0.000 0.000 -1.802) 1.802 2.353 ( 0.000 0.000 -4.162) 4.162 2.826 ( 0.000 0.000 -6.226) 6.226 3.366 ( 0.000 0.000 -3.340) 3.340 3.617 ( 0.000 0.000 3.009) 3.009 3.934 ( 0.000 0.000 1.765) 1.765 3.971 ( 0.000 0.000 -6.789) 6.789 4.573 ( 0.000 0.000 30.901) 30.901 4.764 ( 0.000 0.000 -0.447) 0.447 5.157 ( 0.000 0.000 -0.483) 0.483 5.527 ( 0.000 0.000 -4.481) 4.481 5.678 ( 0.000 0.000 -0.411) 0.411 5.795 ( 0.000 0.000 -1.972) 1.972 5.989 ( 0.000 0.000 0.409) 0.409 6.115 ( 0.000 0.000 -5.555) 5.555 6.422 ( 0.000 0.000 8.716) 8.716 6.619 ( 0.000 0.000 3.003) 3.003 7.208 ( 0.000 0.000 0.609) 0.609 7.309 ( 0.000 0.000 -0.555) 0.555 7.318 ( 0.000 0.000 -3.998) 3.998 7.522 ( 0.000 0.000 -0.031) 0.031 7.546 ( 0.000 0.000 0.061) 0.061 7.742 ( 0.000 0.000 -0.500) 0.500 8.065 ( 0.000 0.000 1.308) 1.308 8.565 ( 0.000 0.000 -3.727) 3.727 10.156 ( 0.000 0.000 -10.512) 10.512 15.880 ( 0.000 0.000 -0.069) 0.069 16.040 ( 0.000 0.000 -0.152) 0.152 17.251 ( 0.000 0.000 -2.114) 2.114 17.358 ( 0.000 0.000 -2.294) 2.294 22.761 ( 0.000 0.000 -0.066) 0.066 22.800 ( 0.000 0.000 0.137) 0.137 26.290 ( 0.000 0.000 0.474) 0.474 26.314 ( 0.000 0.000 0.477) 0.477 33.894 ( 0.000 0.000 1.118) 1.118 34.789 ( 0.000 0.000 1.277) 1.277 36.928 ( 0.000 0.000 4.943) 4.943 39.014 ( 0.000 0.000 -0.069) 0.069 ======================= Grid point 82 (27/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 8.551 0.000 17.186) 19.196 1.098 ( 10.964 0.000 39.740) 41.225 1.327 ( 51.293 0.000 9.110) 52.095 2.242 ( -1.359 0.000 7.539) 7.661 2.311 ( -2.603 0.000 -1.465) 2.987 2.439 ( 7.211 0.000 -2.890) 7.769 2.816 ( -1.015 0.000 -6.261) 6.342 3.419 ( -14.977 0.000 0.102) 14.977 3.459 ( 6.357 0.000 2.489) 6.827 3.751 ( -7.196 0.000 12.461) 14.390 4.150 ( 13.336 0.000 -3.681) 13.834 4.381 ( -9.752 0.000 27.015) 28.721 5.053 ( 25.083 0.000 0.252) 25.085 5.163 ( 0.614 0.000 -1.056) 1.222 5.566 ( 3.423 0.000 -4.471) 5.631 5.765 ( -3.052 0.000 -1.586) 3.440 5.843 ( 8.243 0.000 -6.389) 10.429 5.931 ( -4.085 0.000 -1.960) 4.531 6.218 ( 8.255 0.000 -3.171) 8.843 6.457 ( 3.492 0.000 8.261) 8.969 6.623 ( 0.420 0.000 3.142) 3.170 7.301 ( 1.564 0.000 -11.129) 11.239 7.328 ( 1.927 0.000 -0.516) 1.995 7.330 ( 1.035 0.000 -4.586) 4.701 7.486 ( -3.869 0.000 -1.198) 4.050 7.505 ( -1.799 0.000 0.007) 1.799 7.871 ( 8.630 0.000 0.960) 8.683 8.042 ( -2.292 0.000 1.313) 2.642 8.562 ( -0.902 0.000 -3.941) 4.043 9.766 ( -24.421 0.000 6.494) 25.270 15.950 ( 4.403 0.000 -1.142) 4.548 16.103 ( 4.443 0.000 1.095) 4.576 17.222 ( -1.713 0.000 -2.567) 3.086 17.318 ( -1.909 0.000 -2.406) 3.071 22.762 ( 0.075 0.000 -0.065) 0.099 22.798 ( -0.196 0.000 0.135) 0.238 26.279 ( -1.015 0.000 0.072) 1.018 26.298 ( -1.318 0.000 0.924) 1.610 34.654 ( 35.027 0.000 -35.712) 50.022 34.983 ( 26.007 0.000 -12.911) 29.035 36.886 ( -4.048 0.000 5.240) 6.621 38.340 ( -44.339 0.000 38.805) 58.922 ======================= Grid point 83 (28/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 14.269 0.000 11.132) 18.098 1.286 ( 11.032 0.000 36.767) 38.387 2.106 ( 8.005 0.000 5.588) 9.762 2.230 ( -5.954 0.000 -0.436) 5.970 2.361 ( 26.770 0.000 -0.045) 26.770 2.600 ( 9.021 0.000 -1.090) 9.086 2.788 ( -1.782 0.000 -6.334) 6.580 3.119 ( -14.689 0.000 -1.368) 14.753 3.480 ( -1.878 0.000 15.866) 15.977 3.888 ( 17.228 0.000 6.870) 18.548 4.209 ( -5.804 0.000 20.942) 21.732 4.419 ( 13.695 0.000 -1.969) 13.836 5.181 ( 1.059 0.000 -2.151) 2.398 5.618 ( 14.085 0.000 -5.725) 15.204 5.684 ( -4.845 0.000 -1.066) 4.961 5.718 ( 28.106 0.000 -1.653) 28.155 5.849 ( -4.350 0.000 -3.394) 5.517 5.962 ( 4.776 0.000 -4.046) 6.259 6.391 ( 8.466 0.000 -0.613) 8.488 6.553 ( 6.014 0.000 6.264) 8.683 6.639 ( 1.731 0.000 3.462) 3.871 7.174 ( -13.130 0.000 -3.664) 13.632 7.334 ( -1.014 0.000 -7.927) 7.992 7.378 ( 2.324 0.000 -0.409) 2.360 7.457 ( -2.290 0.000 0.157) 2.295 7.483 ( 3.437 0.000 -6.907) 7.715 7.977 ( -4.278 0.000 1.300) 4.471 7.984 ( 2.885 0.000 6.290) 6.920 8.516 ( -3.575 0.000 -2.130) 4.162 9.372 ( -17.250 0.000 1.479) 17.313 16.039 ( 4.828 0.000 -0.161) 4.831 16.175 ( 3.011 0.000 4.046) 5.043 17.209 ( 0.248 0.000 -4.943) 4.950 17.290 ( -1.138 0.000 -3.062) 3.266 22.764 ( 0.147 0.000 -0.056) 0.157 22.793 ( -0.327 0.000 0.125) 0.350 26.254 ( -1.425 0.000 -0.327) 1.462 26.269 ( -1.592 0.000 1.123) 1.949 35.047 ( 16.433 0.000 -11.860) 20.265 35.542 ( 21.069 0.000 -36.500) 42.145 36.789 ( -5.158 0.000 6.477) 8.279 37.643 ( -27.551 0.000 39.983) 48.556 ======================= Grid point 84 (29/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 17.715 0.000 7.021) 19.056 1.522 ( 12.584 0.000 28.389) 31.053 2.061 ( -11.762 0.000 1.185) 11.822 2.077 ( -4.701 0.000 10.442) 11.451 2.729 ( 8.619 0.000 -2.170) 8.888 2.751 ( -1.789 0.000 -6.237) 6.489 2.819 ( 10.539 0.000 -1.836) 10.698 2.879 ( -9.225 0.000 -2.504) 9.559 3.473 ( 1.624 0.000 17.071) 17.148 3.906 ( -10.385 0.000 20.495) 22.976 4.588 ( 37.105 0.000 4.618) 37.391 4.678 ( 12.745 0.000 -1.185) 12.800 5.185 ( -1.502 0.000 -2.496) 2.913 5.599 ( -2.921 0.000 -1.489) 3.278 5.737 ( 3.921 0.000 -5.151) 6.474 5.760 ( -4.740 0.000 -4.099) 6.266 6.038 ( 3.436 0.000 -2.594) 4.305 6.409 ( 32.528 0.000 -5.457) 32.983 6.519 ( 4.629 0.000 2.989) 5.510 6.618 ( 0.611 0.000 4.291) 4.335 6.765 ( 10.500 0.000 2.146) 10.718 6.840 ( -19.641 0.000 -1.337) 19.686 7.292 ( -3.294 0.000 -10.877) 11.365 7.328 ( -6.156 0.000 0.050) 6.156 7.502 ( 5.460 0.000 0.176) 5.463 7.594 ( 7.850 0.000 -3.937) 8.782 7.878 ( -5.761 0.000 1.194) 5.884 8.000 ( -0.913 0.000 9.084) 9.130 8.451 ( -2.176 0.000 -1.224) 2.496 9.039 ( -17.493 0.000 -2.341) 17.649 16.133 ( 4.476 0.000 0.772) 4.542 16.221 ( 1.652 0.000 4.134) 4.452 17.222 ( 0.864 0.000 -5.086) 5.159 17.271 ( -0.878 0.000 -3.279) 3.395 22.768 ( 0.214 0.000 -0.032) 0.217 22.786 ( -0.367 0.000 0.099) 0.381 26.228 ( -1.109 0.000 -0.143) 1.119 26.239 ( -1.346 0.000 0.902) 1.621 35.369 ( 15.995 0.000 -12.231) 20.136 35.793 ( 5.831 0.000 -28.410) 29.002 36.714 ( -1.723 0.000 9.616) 9.769 37.207 ( -18.166 0.000 30.539) 35.534 ======================= Grid point 85 (30/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 18.933 0.000 4.509) 19.463 1.760 ( 11.295 0.000 20.894) 23.752 1.773 ( -17.209 0.000 2.804) 17.436 1.951 ( -8.139 0.000 14.837) 16.923 2.730 ( -0.010 0.000 -5.368) 5.368 2.760 ( -3.400 0.000 -3.905) 5.178 2.856 ( 4.823 0.000 -1.465) 5.041 2.909 ( -0.039 0.000 -1.593) 1.594 3.547 ( 5.897 0.000 18.594) 19.507 3.701 ( -9.658 0.000 20.096) 22.296 4.912 ( 11.004 0.000 -1.023) 11.051 5.097 ( -7.450 0.000 -1.563) 7.612 5.316 ( 33.251 0.000 -0.581) 33.256 5.594 ( 2.282 0.000 -3.099) 3.848 5.667 ( -4.585 0.000 -4.070) 6.131 5.731 ( -7.656 0.000 -4.855) 9.066 6.118 ( 6.193 0.000 -0.664) 6.228 6.378 ( -20.773 0.000 2.215) 20.890 6.584 ( 2.302 0.000 4.182) 4.774 6.614 ( -0.821 0.000 4.375) 4.451 6.959 ( 18.397 0.000 -11.597) 21.747 6.981 ( 10.920 0.000 0.827) 10.951 7.178 ( -9.016 0.000 0.347) 9.022 7.195 ( -7.277 0.000 -12.404) 14.381 7.624 ( 6.700 0.000 0.553) 6.722 7.756 ( -6.631 0.000 0.940) 6.697 7.785 ( 10.714 0.000 2.809) 11.076 7.947 ( -5.056 0.000 8.117) 9.563 8.472 ( 5.680 0.000 -1.749) 5.943 8.697 ( -16.274 0.000 -2.822) 16.517 16.205 ( 2.724 0.000 1.825) 3.279 16.235 ( -0.358 0.000 3.038) 3.059 17.239 ( 0.855 0.000 -4.324) 4.408 17.255 ( -0.778 0.000 -3.645) 3.727 22.773 ( 0.281 0.000 0.008) 0.281 22.779 ( -0.340 0.000 0.057) 0.345 26.214 ( -0.237 0.000 0.213) 0.319 26.219 ( -0.694 0.000 0.556) 0.889 35.645 ( 11.565 0.000 -16.292) 19.979 35.803 ( -4.226 0.000 -21.642) 22.050 36.745 ( 5.115 0.000 15.230) 16.066 36.913 ( -11.929 0.000 22.323) 25.310 ======================= Grid point 90 (31/125) ======================= q-point: ( 0.00 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 9.330 15.123) 17.769 0.778 ( 0.000 19.226 17.423) 25.946 1.354 ( 0.000 27.712 32.259) 42.528 2.224 ( 0.000 -11.540 -2.720) 11.856 2.247 ( 0.000 -0.635 6.044) 6.078 2.376 ( 0.000 3.214 -2.037) 3.805 3.043 ( 0.000 16.073 -10.464) 19.179 3.354 ( 0.000 -0.890 -3.370) 3.486 3.644 ( 0.000 1.456 2.018) 2.489 3.649 ( 0.000 -12.806 8.701) 15.483 4.140 ( 0.000 9.015 -0.832) 9.054 4.347 ( 0.000 -16.374 28.881) 33.200 4.817 ( 0.000 5.265 -0.226) 5.270 5.306 ( 0.000 10.353 1.319) 10.437 5.493 ( 0.000 -2.022 -3.557) 4.092 5.593 ( 0.000 -5.593 -1.156) 5.711 5.869 ( 0.000 4.761 -2.031) 5.176 6.116 ( 0.000 10.608 0.154) 10.609 6.179 ( 0.000 4.839 -4.979) 6.943 6.460 ( 0.000 1.668 6.306) 6.523 6.645 ( 0.000 2.273 2.453) 3.344 7.180 ( 0.000 -2.491 0.508) 2.542 7.285 ( 0.000 -2.357 -0.499) 2.409 7.313 ( 0.000 0.223 -4.018) 4.024 7.454 ( 0.000 -7.955 -5.406) 9.618 7.515 ( 0.000 -2.995 0.074) 2.996 7.673 ( 0.000 -24.760 1.038) 24.782 7.886 ( 0.000 4.984 2.853) 5.743 8.895 ( 0.000 20.724 -4.913) 21.298 10.101 ( 0.000 -3.665 -11.158) 11.745 15.886 ( 0.000 0.619 -0.071) 0.623 16.034 ( 0.000 -0.573 -0.146) 0.591 17.248 ( 0.000 -0.140 -2.039) 2.044 17.324 ( 0.000 -1.778 -1.805) 2.533 22.807 ( 0.000 1.030 -0.206) 1.050 22.878 ( 0.000 5.775 -6.370) 8.598 26.282 ( 0.000 -0.572 0.705) 0.908 26.303 ( 0.000 -0.589 0.022) 0.590 33.926 ( 0.000 3.080 1.112) 3.274 34.753 ( 0.000 -3.498 1.262) 3.719 36.912 ( 0.000 -1.379 5.280) 5.458 37.968 ( 0.000 -52.033 55.219) 75.873 ======================= Grid point 91 (32/125) ======================= q-point: ( 0.11 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 7.397 17.934 13.582) 23.681 1.209 ( 28.337 6.952 19.145) 34.897 1.499 ( 26.635 20.214 17.182) 37.593 2.222 ( -0.672 -2.099 4.327) 4.856 2.313 ( 4.132 -6.481 -0.670) 7.715 2.366 ( 1.215 1.125 -1.353) 2.138 2.988 ( -3.769 14.154 -7.583) 16.494 3.424 ( -0.536 -1.572 4.270) 4.581 3.520 ( -4.917 5.619 -1.054) 7.540 3.652 ( 1.944 -4.956 9.364) 10.772 4.187 ( -1.415 -6.850 13.823) 15.492 4.268 ( 2.254 0.364 11.602) 11.825 5.061 ( 22.550 1.211 -0.630) 22.591 5.274 ( -2.571 7.219 0.057) 7.663 5.523 ( 2.928 -1.949 -3.898) 5.250 5.692 ( 5.803 -4.508 -1.151) 7.438 5.874 ( 0.694 3.139 -2.798) 4.262 6.040 ( -3.875 8.340 -2.301) 9.480 6.305 ( 8.501 7.297 -2.327) 11.442 6.486 ( 2.961 1.839 6.658) 7.516 6.654 ( 1.032 2.881 2.490) 3.945 7.253 ( 3.025 -4.842 -3.554) 6.726 7.262 ( -2.749 -4.549 -6.625) 8.494 7.341 ( 1.126 -0.138 -2.468) 2.716 7.409 ( -1.484 -7.028 -0.486) 7.200 7.531 ( 1.302 -0.717 -2.674) 3.059 7.688 ( 0.836 -22.280 1.613) 22.354 7.917 ( 2.915 1.892 4.075) 5.356 8.861 ( -3.475 19.305 -4.265) 20.073 9.801 ( -22.781 2.284 -2.529) 23.035 15.944 ( 4.421 -0.293 -0.404) 4.450 16.081 ( 3.942 -1.561 1.200) 4.406 17.225 ( -1.497 0.302 -2.690) 3.093 17.307 ( -1.173 -0.797 -2.600) 2.962 22.804 ( -0.328 1.167 -0.333) 1.257 22.835 ( -2.650 4.497 -2.216) 5.670 26.268 ( -1.097 -0.853 0.750) 1.579 26.289 ( -1.279 -0.535 0.198) 1.400 34.549 ( 38.952 -8.578 -27.150) 48.249 34.903 ( 18.346 -6.057 -2.476) 19.478 36.869 ( -4.088 -1.407 5.496) 6.993 37.763 ( -17.391 -35.563 50.263) 63.980 ======================= Grid point 92 (33/125) ======================= q-point: ( 0.22 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 11.542 16.953 8.971) 22.385 1.447 ( 8.769 16.015 28.901) 34.185 2.118 ( 6.045 1.333 4.575) 7.698 2.265 ( -1.911 2.515 -1.273) 3.405 2.347 ( 22.881 -0.468 0.119) 22.886 2.510 ( 9.347 -6.170 -0.077) 11.200 2.930 ( -1.985 12.439 -5.865) 13.895 3.248 ( -11.185 9.271 -1.223) 14.579 3.464 ( -2.534 -0.233 14.487) 14.709 3.892 ( 15.984 0.428 7.953) 17.858 4.085 ( -0.381 -9.868 19.762) 22.092 4.457 ( 12.102 3.510 -0.610) 12.615 5.225 ( -2.099 2.600 -1.335) 3.598 5.551 ( 12.301 -9.387 -2.625) 15.695 5.649 ( 19.861 2.283 -5.212) 20.660 5.717 ( -2.489 2.992 -0.781) 3.969 5.936 ( 5.321 -0.957 -2.393) 5.912 5.997 ( 1.521 8.295 -2.309) 8.744 6.454 ( 5.566 4.303 0.981) 7.104 6.595 ( 8.405 4.218 4.325) 10.351 6.690 ( 3.044 5.053 2.181) 6.290 7.098 ( -13.083 -8.062 -3.361) 15.731 7.292 ( 2.333 -5.541 -1.895) 6.304 7.316 ( -2.035 -3.590 -5.457) 6.842 7.480 ( 4.798 0.248 -4.289) 6.440 7.532 ( -0.879 3.932 -3.399) 5.271 7.688 ( -0.893 -18.990 2.338) 19.154 7.975 ( 2.427 -1.114 6.992) 7.484 8.761 ( -6.577 16.423 -2.827) 17.915 9.385 ( -19.337 1.224 -1.668) 19.447 16.037 ( 4.943 -0.205 0.086) 4.948 16.157 ( 3.456 -1.564 3.404) 5.097 17.211 ( 0.085 0.214 -4.504) 4.510 17.286 ( -0.997 -0.392 -3.074) 3.255 22.793 ( -0.739 2.035 -0.560) 2.237 22.805 ( -0.671 1.423 0.102) 1.576 26.245 ( -1.219 -0.914 0.363) 1.566 26.259 ( -1.638 -0.578 0.500) 1.807 35.012 ( 17.278 -3.271 -11.869) 21.216 35.422 ( 23.818 -10.817 -27.311) 37.818 36.770 ( -5.373 -1.624 6.467) 8.563 37.406 ( -17.761 -17.926 39.278) 46.685 ======================= Grid point 93 (34/125) ======================= q-point: ( 0.33 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 14.597 14.275 5.448) 21.131 1.633 ( 9.957 11.684 23.943) 28.442 2.066 ( -6.636 1.723 5.953) 9.080 2.160 ( -6.488 5.546 2.955) 9.033 2.656 ( 7.004 -3.688 -0.782) 7.954 2.730 ( 7.642 -0.984 -2.007) 7.962 2.929 ( 2.321 10.315 -5.022) 11.705 3.061 ( -7.168 13.502 -3.446) 15.670 3.447 ( 1.121 -2.024 17.232) 17.386 3.836 ( -9.561 -6.333 21.684) 24.530 4.581 ( 36.764 -0.378 4.403) 37.029 4.696 ( 12.041 1.782 -0.673) 12.191 5.185 ( -2.369 -0.196 -1.873) 3.026 5.625 ( 0.085 -3.494 -3.565) 4.992 5.645 ( -2.617 1.800 -1.375) 3.461 5.863 ( -0.237 4.479 -5.484) 7.084 6.043 ( 5.098 0.777 -2.062) 5.554 6.302 ( 20.631 -6.461 -1.417) 21.666 6.529 ( 2.591 -0.009 3.663) 4.487 6.726 ( -10.861 -1.774 0.489) 11.015 6.771 ( 8.261 6.501 -0.989) 10.559 6.876 ( 4.301 5.978 0.166) 7.366 7.266 ( -3.011 -2.854 -9.363) 10.241 7.358 ( 3.205 -3.727 0.959) 5.008 7.452 ( -3.291 3.778 -0.473) 5.032 7.616 ( 5.772 -0.398 -3.952) 7.007 7.662 ( -0.604 -15.263 1.099) 15.314 8.003 ( 0.419 -0.111 8.325) 8.336 8.625 ( -6.474 12.376 -2.013) 14.111 9.025 ( -17.953 -1.059 -3.103) 18.250 16.131 ( 4.468 -0.150 0.838) 4.549 16.211 ( 1.992 -0.952 3.658) 4.272 17.222 ( 0.812 0.010 -4.789) 4.857 17.268 ( -0.800 -0.228 -3.268) 3.372 22.784 ( -0.183 1.406 -0.153) 1.426 22.795 ( -0.406 0.899 0.125) 0.995 26.223 ( -0.992 -0.571 0.063) 1.146 26.230 ( -1.248 -0.653 0.717) 1.580 35.341 ( 16.072 -2.595 -11.250) 19.789 35.725 ( 7.962 -6.508 -24.556) 26.622 36.688 ( -2.269 -2.326 9.152) 9.711 37.089 ( -14.451 -9.756 29.122) 33.943 ======================= Grid point 94 (35/125) ======================= q-point: ( 0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 15.191 9.995 4.075) 18.635 1.780 ( -1.476 5.362 12.257) 13.460 1.915 ( -2.121 8.898 8.867) 12.740 2.027 ( -7.256 7.183 10.533) 14.669 2.747 ( 2.562 0.220 -1.205) 2.840 2.773 ( -0.383 2.768 -2.327) 3.636 2.970 ( 0.863 7.983 -3.578) 8.791 2.983 ( -1.219 10.796 -3.901) 11.543 3.511 ( 5.338 -3.175 19.258) 20.235 3.651 ( -8.743 -4.474 20.936) 23.125 4.917 ( 10.208 0.404 -0.703) 10.240 5.076 ( -4.317 -1.990 -0.914) 4.841 5.319 ( 30.670 -0.137 -0.385) 30.673 5.598 ( -0.321 0.773 -2.830) 2.951 5.623 ( -1.349 -2.351 -3.025) 4.061 5.773 ( -11.587 1.753 -4.020) 12.389 6.142 ( 5.986 2.359 -1.248) 6.554 6.352 ( -16.409 -1.976 1.409) 16.587 6.537 ( 3.055 -6.729 2.291) 7.737 6.559 ( 0.448 -3.140 3.925) 5.047 7.007 ( 11.167 4.876 -9.428) 15.407 7.066 ( 8.781 6.680 -1.826) 11.184 7.197 ( -3.375 0.538 -8.868) 9.503 7.283 ( -7.880 8.797 0.514) 11.821 7.513 ( 5.724 -7.905 2.307) 10.029 7.600 ( -3.232 -10.389 2.618) 11.191 7.808 ( 11.046 -1.334 -0.199) 11.128 7.975 ( -4.386 1.329 5.927) 7.492 8.552 ( 0.525 6.360 -2.035) 6.698 8.698 ( -13.998 0.251 -2.854) 14.288 16.202 ( 2.633 -0.250 1.762) 3.178 16.230 ( -0.166 -0.502 2.807) 2.856 17.238 ( 0.838 -0.057 -4.209) 4.292 17.254 ( -0.734 -0.117 -3.612) 3.688 22.784 ( 0.138 1.013 -0.005) 1.022 22.788 ( -0.304 0.877 0.069) 0.931 26.210 ( -0.288 -0.422 0.219) 0.556 26.212 ( -0.548 -0.540 0.528) 0.933 35.616 ( 11.344 -2.759 -14.645) 18.729 35.764 ( -3.362 -3.759 -19.315) 19.962 36.704 ( 4.143 -3.662 14.248) 15.283 36.847 ( -10.150 -5.848 21.037) 24.078 ======================= Grid point 99 (36/125) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.000 12.514 9.992) 16.013 1.138 ( 0.000 17.788 14.591) 23.007 1.933 ( 0.000 -15.732 -0.144) 15.733 1.968 ( 0.000 26.257 11.698) 28.745 2.232 ( 0.000 -0.975 3.608) 3.737 2.452 ( 0.000 3.752 -3.077) 4.852 3.328 ( 0.000 3.713 8.113) 8.922 3.340 ( 0.000 -0.171 -3.100) 3.105 3.584 ( 0.000 14.315 -4.516) 15.011 3.632 ( 0.000 -2.948 0.503) 2.991 3.945 ( 0.000 -17.448 24.329) 29.939 4.426 ( 0.000 14.876 3.373) 15.253 4.967 ( 0.000 8.454 0.271) 8.459 5.474 ( 0.000 4.776 5.847) 7.550 5.476 ( 0.000 -5.694 -1.063) 5.792 5.495 ( 0.000 2.941 -3.245) 4.380 5.953 ( 0.000 2.778 -2.740) 3.902 6.295 ( 0.000 6.072 -2.684) 6.639 6.367 ( 0.000 13.123 -0.032) 13.124 6.481 ( 0.000 0.775 5.349) 5.405 6.660 ( 0.000 -6.911 0.692) 6.946 7.006 ( 0.000 -22.275 -0.207) 22.276 7.123 ( 0.000 -2.437 0.368) 2.464 7.208 ( 0.000 -5.204 -0.425) 5.221 7.339 ( 0.000 2.197 -2.776) 3.540 7.413 ( 0.000 -6.793 -4.447) 8.119 7.427 ( 0.000 -5.422 0.109) 5.423 7.878 ( 0.000 -4.622 9.825) 10.857 9.282 ( 0.000 16.654 -6.097) 17.735 10.025 ( 0.000 -3.961 -12.765) 13.365 15.904 ( 0.000 1.123 -0.076) 1.126 16.017 ( 0.000 -1.057 -0.130) 1.065 17.249 ( 0.000 0.254 -2.426) 2.439 17.299 ( 0.000 -0.887 -2.715) 2.856 22.836 ( 0.000 1.696 -0.203) 1.708 22.943 ( 0.000 1.093 -4.483) 4.615 26.274 ( 0.000 -0.209 0.145) 0.254 26.293 ( 0.000 -0.487 -0.197) 0.525 34.018 ( 0.000 5.770 1.100) 5.874 34.650 ( 0.000 -6.361 1.222) 6.477 36.888 ( 0.000 -0.434 6.302) 6.317 37.323 ( 0.000 -17.130 36.725) 40.524 ======================= Grid point 100 (37/125) ======================= q-point: ( 0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 10.347 15.314 9.853) 20.944 1.339 ( 33.164 7.255 9.616) 35.284 1.998 ( 5.322 15.644 6.018) 17.587 2.066 ( 10.972 -4.832 2.888) 12.332 2.232 ( 0.330 -1.197 3.986) 4.175 2.434 ( -1.492 3.644 -3.072) 4.994 3.287 ( -2.316 9.298 2.574) 9.922 3.373 ( 0.009 -0.643 4.911) 4.953 3.620 ( -0.305 2.841 -1.260) 3.123 3.671 ( 8.754 10.074 -0.073) 13.346 3.899 ( -3.315 -14.629 24.059) 28.351 4.449 ( 3.203 12.797 2.846) 13.496 5.105 ( 13.001 2.828 -0.565) 13.317 5.349 ( -5.836 -0.325 1.392) 6.009 5.541 ( 4.996 3.845 -3.660) 7.290 5.639 ( 8.996 -1.291 2.362) 9.390 5.945 ( -1.109 3.109 -2.417) 4.091 6.211 ( -4.399 7.728 -1.983) 9.111 6.464 ( 3.658 4.869 1.178) 6.203 6.539 ( 7.212 5.500 3.201) 9.619 6.691 ( 3.540 -5.862 0.266) 6.853 6.952 ( -5.013 -18.063 -1.014) 18.773 7.151 ( -0.201 -4.877 -0.567) 4.914 7.230 ( 3.757 -5.596 -3.766) 7.720 7.345 ( 0.196 -0.675 -2.700) 2.790 7.434 ( 1.192 -5.062 1.716) 5.476 7.475 ( 5.571 -4.336 -3.279) 7.784 7.889 ( 1.072 -4.601 9.384) 10.506 9.225 ( -5.625 15.687 -5.604) 17.582 9.824 ( -18.153 -0.306 -9.921) 20.689 15.946 ( 3.807 0.523 0.093) 3.844 16.050 ( 3.097 -1.445 0.675) 3.483 17.234 ( -1.142 0.555 -2.833) 3.105 17.291 ( -0.697 -0.723 -2.934) 3.101 22.832 ( -0.319 1.619 -0.183) 1.661 22.905 ( -3.102 1.931 -2.734) 4.563 26.255 ( -1.565 -0.360 0.575) 1.706 26.279 ( -1.281 -0.500 -0.131) 1.381 34.405 ( 31.710 -3.911 -10.106) 33.510 34.771 ( 12.640 -6.817 1.263) 14.416 36.845 ( -4.228 -0.514 6.288) 7.595 37.255 ( -6.580 -15.351 34.250) 38.105 ======================= Grid point 101 (38/125) ======================= q-point: ( 0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 9.488 14.782 9.333) 19.890 1.805 ( 10.438 14.173 12.823) 21.777 2.142 ( 2.181 -0.344 1.077) 2.456 2.279 ( 2.794 -2.383 0.474) 3.703 2.370 ( 21.605 3.608 0.849) 21.921 2.440 ( 5.494 0.628 -1.757) 5.802 3.244 ( -1.868 11.974 1.980) 12.279 3.345 ( -1.733 6.284 5.707) 8.664 3.554 ( -5.179 4.434 3.426) 7.630 3.823 ( -4.327 -6.196 22.049) 23.308 4.008 ( 24.229 6.231 4.279) 25.380 4.568 ( 8.557 7.721 1.372) 11.607 5.243 ( -4.394 -0.731 0.212) 4.460 5.385 ( 11.833 -6.054 -1.886) 13.424 5.708 ( 11.948 2.714 -4.163) 12.941 5.781 ( 3.143 1.856 0.105) 3.651 5.935 ( 2.633 0.801 -0.740) 2.850 6.151 ( -1.174 6.283 -1.094) 6.485 6.499 ( 0.618 0.160 2.091) 2.186 6.679 ( 2.599 -8.311 0.366) 8.715 6.818 ( 7.704 -2.637 -0.013) 8.142 6.852 ( 0.380 5.357 -0.537) 5.397 7.139 ( -0.129 -6.737 -0.297) 6.745 7.257 ( -1.457 -3.086 -6.312) 7.175 7.372 ( 1.945 -8.412 -1.543) 8.771 7.487 ( 4.402 -1.433 -0.905) 4.717 7.578 ( 3.566 -0.367 -1.358) 3.834 7.921 ( 2.244 -4.564 8.401) 9.821 9.071 ( -9.827 13.182 -4.443) 17.031 9.418 ( -21.620 1.757 -6.686) 22.698 16.035 ( 4.945 0.133 0.436) 4.965 16.122 ( 3.834 -1.667 2.100) 4.679 17.219 ( -0.218 0.557 -3.792) 3.839 17.276 ( -0.788 -0.543 -3.121) 3.265 22.824 ( -0.478 1.472 -0.154) 1.555 22.850 ( -2.154 2.110 -0.796) 3.118 26.225 ( -1.280 -0.730 0.766) 1.660 26.249 ( -1.659 -0.523 0.009) 1.740 34.925 ( 19.850 -4.695 -10.768) 23.065 35.168 ( 24.574 -12.153 -9.294) 28.947 36.739 ( -5.993 -0.936 6.558) 8.933 37.087 ( -10.022 -11.921 28.660) 32.619 ======================= Grid point 102 (39/125) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 11.492 12.022 6.811) 17.972 1.931 ( 4.231 13.626 11.603) 18.390 2.115 ( -3.160 2.218 4.062) 5.604 2.251 ( -3.540 2.593 -0.929) 4.486 2.613 ( 9.635 -0.424 -0.615) 9.664 2.719 ( 10.871 -0.210 -0.472) 10.883 3.220 ( -0.463 11.702 1.463) 11.802 3.325 ( -0.705 13.511 0.326) 13.534 3.456 ( -3.546 3.784 11.198) 12.340 3.711 ( -6.760 -1.508 21.813) 22.886 4.587 ( 32.437 1.254 4.365) 32.753 4.753 ( 9.663 3.760 0.511) 10.381 5.172 ( -2.612 -0.912 -0.473) 2.807 5.534 ( 4.399 -3.600 -2.748) 6.313 5.735 ( -4.455 5.240 -1.040) 6.956 5.886 ( 1.133 -3.603 -3.907) 5.434 6.055 ( 7.185 -1.235 -0.466) 7.305 6.217 ( 8.070 -1.307 0.561) 8.195 6.488 ( -2.602 -4.299 0.612) 5.062 6.551 ( -10.053 -10.826 -0.741) 14.793 6.970 ( 9.286 8.702 -1.516) 12.816 7.061 ( 12.346 10.879 -0.976) 16.484 7.159 ( 1.000 -6.000 0.403) 6.096 7.238 ( 3.262 -6.132 -4.701) 8.387 7.404 ( 1.542 -6.444 1.570) 6.809 7.573 ( 1.991 1.230 -1.617) 2.845 7.596 ( 0.505 1.364 -3.113) 3.436 7.971 ( 2.351 -3.566 6.543) 7.814 8.860 ( -11.159 9.696 -3.576) 15.210 9.015 ( -18.962 0.546 -4.866) 19.584 16.129 ( 4.372 -0.019 0.946) 4.473 16.187 ( 2.617 -1.235 2.611) 3.897 17.224 ( 0.600 0.254 -4.179) 4.229 17.262 ( -0.623 -0.357 -3.275) 3.352 22.815 ( -0.437 1.428 -0.149) 1.501 22.822 ( -0.857 1.568 -0.012) 1.787 26.206 ( -0.713 -0.788 0.585) 1.212 26.219 ( -1.258 -0.501 0.155) 1.363 35.275 ( 16.247 -3.511 -8.589) 18.710 35.544 ( 12.555 -10.332 -14.301) 21.655 36.637 ( -3.742 -2.124 8.040) 9.119 36.886 ( -10.043 -8.917 22.500) 26.204 ======================= Grid point 103 (40/125) ======================= q-point: ( 0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 11.036 8.875 5.589) 15.224 1.923 ( -6.500 7.111 7.001) 11.910 2.097 ( 2.928 7.485 5.000) 9.466 2.174 ( -4.140 5.326 2.199) 7.095 2.765 ( 5.545 1.454 -0.010) 5.733 2.819 ( 0.464 1.466 0.105) 1.541 3.231 ( 1.648 12.570 -0.578) 12.691 3.282 ( -3.251 15.165 -3.698) 15.944 3.464 ( 3.946 2.288 19.316) 19.847 3.575 ( -6.765 1.514 20.816) 21.940 4.927 ( 7.667 0.528 0.060) 7.685 5.022 ( 1.056 -3.075 0.462) 3.284 5.290 ( 22.989 -2.962 0.679) 23.189 5.586 ( 0.334 -1.707 -1.698) 2.431 5.650 ( -3.459 4.300 -2.377) 6.009 5.753 ( -13.310 -3.719 -0.228) 13.822 6.189 ( 6.359 0.399 -1.958) 6.666 6.324 ( -7.866 -0.697 -2.553) 8.299 6.370 ( 5.312 -8.375 0.752) 9.946 6.458 ( -3.381 -5.571 2.204) 6.879 7.076 ( 2.923 -0.615 -4.187) 5.143 7.127 ( -2.512 -3.364 -4.100) 5.869 7.281 ( 9.810 7.732 -0.369) 12.496 7.396 ( 3.058 -1.860 -0.979) 3.711 7.427 ( 1.986 1.007 2.184) 3.119 7.505 ( -4.697 7.849 -0.363) 9.154 7.739 ( 12.792 -4.811 -1.295) 13.728 7.959 ( -5.770 -3.101 2.851) 7.144 8.677 ( -5.461 4.861 -3.468) 8.092 8.720 ( -9.720 2.256 -2.749) 10.350 16.196 ( 2.372 -0.265 1.598) 2.873 16.217 ( 0.292 -0.679 2.259) 2.377 17.238 ( 0.722 0.025 -3.946) 4.011 17.251 ( -0.594 -0.159 -3.554) 3.607 22.809 ( -0.088 1.350 -0.012) 1.353 22.811 ( -0.285 1.286 0.089) 1.320 26.198 ( -0.134 -0.623 0.390) 0.747 26.201 ( -0.546 -0.505 0.269) 0.791 35.542 ( 10.424 -4.064 -10.341) 15.236 35.656 ( -0.634 -6.352 -12.886) 14.380 36.617 ( 2.004 -4.194 11.575) 12.473 36.712 ( -7.304 -6.482 16.684) 19.332 ======================= Grid point 108 (41/125) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.000 13.628 6.764) 15.214 1.520 ( 0.000 18.925 6.230) 19.924 1.607 ( 0.000 -15.762 2.267) 15.925 2.119 ( 0.000 -7.196 -2.043) 7.480 2.391 ( 0.000 11.500 4.209) 12.247 2.516 ( 0.000 2.224 -3.040) 3.767 3.310 ( 0.000 -0.384 16.998) 17.002 3.358 ( 0.000 2.077 -2.416) 3.186 3.538 ( 0.000 -5.582 -0.598) 5.614 3.573 ( 0.000 -13.661 22.928) 26.689 4.186 ( 0.000 33.503 -4.021) 33.744 4.730 ( 0.000 12.867 3.566) 13.352 5.126 ( 0.000 6.657 0.476) 6.674 5.360 ( 0.000 -5.612 -0.518) 5.635 5.491 ( 0.000 -2.205 8.567) 8.846 5.625 ( 0.000 9.199 -3.539) 9.856 5.955 ( 0.000 -3.118 -3.265) 4.515 6.111 ( 0.000 -34.885 1.842) 34.933 6.412 ( 0.000 4.880 -0.424) 4.898 6.497 ( 0.000 0.451 3.521) 3.550 6.634 ( 0.000 12.635 -0.168) 12.636 6.945 ( 0.000 6.198 -1.838) 6.464 7.070 ( 0.000 -7.964 -0.432) 7.975 7.107 ( 0.000 0.978 0.358) 1.042 7.264 ( 0.000 -7.731 -5.755) 9.638 7.301 ( 0.000 -6.532 0.156) 6.534 7.417 ( 0.000 5.388 1.939) 5.727 7.737 ( 0.000 -8.397 10.487) 13.435 9.576 ( 0.000 12.185 -7.934) 14.540 9.929 ( 0.000 -5.650 -12.016) 13.278 15.931 ( 0.000 1.434 -0.084) 1.436 15.992 ( 0.000 -1.387 -0.111) 1.391 17.257 ( 0.000 0.522 -2.722) 2.772 17.283 ( 0.000 -0.712 -2.941) 3.026 22.874 ( 0.000 1.990 -0.467) 2.044 22.942 ( 0.000 -0.895 -2.293) 2.461 26.272 ( 0.000 0.067 -0.086) 0.109 26.283 ( 0.000 -0.429 -0.142) 0.452 34.158 ( 0.000 7.702 1.100) 7.780 34.500 ( 0.000 -8.119 1.170) 8.203 36.904 ( 0.000 2.017 8.185) 8.430 37.090 ( 0.000 -7.631 20.722) 22.082 ======================= Grid point 109 (42/125) ======================= q-point: ( 0.11 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 26.612 9.362 3.151) 28.387 1.575 ( 9.473 15.727 7.078) 19.677 1.802 ( 16.615 -11.360 1.118) 20.159 2.126 ( 1.011 -6.896 -0.767) 7.012 2.388 ( 0.306 10.218 2.959) 10.642 2.497 ( -1.692 2.150 -3.251) 4.249 3.295 ( -1.237 -0.440 16.308) 16.361 3.451 ( 7.796 3.095 0.913) 8.437 3.517 ( -1.298 -8.986 14.031) 16.712 3.665 ( 8.273 -6.437 7.444) 12.856 4.196 ( 1.900 32.700 -2.478) 32.849 4.731 ( 0.400 12.325 3.346) 12.777 5.177 ( 5.199 4.609 -0.005) 6.948 5.307 ( -3.902 -2.363 1.841) 4.919 5.561 ( 5.796 -5.697 4.689) 9.382 5.665 ( 3.392 4.491 -2.560) 6.183 5.973 ( 1.032 -0.992 -2.753) 3.103 6.118 ( 0.781 -29.712 1.278) 29.750 6.368 ( -2.634 4.624 -0.703) 5.368 6.495 ( -0.177 -0.566 1.859) 1.951 6.747 ( 9.228 9.976 0.490) 13.598 6.959 ( 1.866 7.169 -2.896) 7.953 7.067 ( -0.346 -3.756 0.189) 3.777 7.133 ( 2.953 -3.022 -3.093) 5.236 7.274 ( -2.115 -5.150 -0.014) 5.568 7.340 ( 6.655 -6.811 -2.463) 9.836 7.449 ( 2.974 3.734 1.587) 5.030 7.750 ( 1.263 -8.315 9.965) 13.040 9.499 ( -7.685 11.053 -7.472) 15.397 9.787 ( -13.723 -3.403 -10.892) 17.848 15.964 ( 3.190 1.152 0.135) 3.394 16.021 ( 2.790 -1.449 0.298) 3.157 17.247 ( -0.849 0.699 -2.905) 3.106 17.277 ( -0.601 -0.713 -3.015) 3.156 22.868 ( -0.569 1.795 -0.385) 1.922 22.920 ( -1.987 -0.237 -1.695) 2.623 26.253 ( -1.697 0.151 0.213) 1.717 26.269 ( -1.364 -0.502 -0.075) 1.455 34.395 ( 21.590 2.485 -2.593) 21.887 34.625 ( 12.437 -7.185 1.015) 14.399 36.858 ( -4.472 1.899 7.942) 9.310 37.038 ( -5.120 -7.344 19.816) 21.745 ======================= Grid point 110 (43/125) ======================= q-point: ( 0.22 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 6.839 15.237 4.149) 17.209 1.990 ( 16.131 5.190 5.221) 17.731 2.076 ( 7.060 -5.361 -1.211) 8.947 2.203 ( 7.750 -4.531 3.067) 9.487 2.462 ( 8.693 3.302 -1.461) 9.413 2.483 ( 2.983 2.515 -3.273) 5.093 3.270 ( -1.119 -0.112 16.406) 16.444 3.453 ( -3.030 -8.815 18.637) 20.838 3.649 ( 8.742 11.777 -0.945) 14.697 3.826 ( 6.396 1.670 6.122) 9.010 4.318 ( 12.073 23.946 1.637) 26.867 4.761 ( 2.952 9.160 2.436) 9.928 5.223 ( -3.511 -0.134 1.642) 3.878 5.331 ( 8.915 1.610 -0.429) 9.070 5.692 ( 6.373 -6.713 0.809) 9.292 5.720 ( 2.229 -10.397 0.099) 10.633 5.969 ( -1.466 2.149 -0.936) 2.764 6.137 ( 1.074 -13.479 1.045) 13.562 6.352 ( 1.076 -0.929 -2.151) 2.578 6.480 ( -1.482 -1.996 -0.732) 2.591 6.941 ( 9.795 7.197 0.333) 12.159 7.025 ( 3.513 3.051 -2.362) 5.218 7.069 ( 1.886 2.422 0.324) 3.087 7.195 ( 1.543 -2.453 -6.020) 6.682 7.262 ( 3.614 -1.617 -0.869) 4.054 7.475 ( 5.535 -1.062 1.396) 5.806 7.531 ( 5.496 -2.027 -0.514) 5.880 7.786 ( 2.511 -8.273 8.243) 11.945 9.291 ( -13.103 8.219 -6.282) 16.694 9.442 ( -20.234 0.127 -8.609) 21.990 16.044 ( 4.628 0.727 0.561) 4.718 16.090 ( 3.993 -1.426 1.137) 4.390 17.233 ( -0.421 0.764 -3.358) 3.469 17.264 ( -0.637 -0.661 -3.148) 3.279 22.855 ( -0.754 1.394 -0.209) 1.598 22.878 ( -1.957 0.616 -0.721) 2.175 26.219 ( -1.551 0.069 0.507) 1.633 26.237 ( -1.667 -0.591 0.054) 1.769 34.849 ( 21.479 -2.047 -6.353) 22.492 34.964 ( 21.210 -7.555 -1.318) 22.554 36.744 ( -6.783 1.430 7.459) 10.183 36.903 ( -8.200 -6.628 17.502) 20.433 ======================= Grid point 111 (44/125) ======================= q-point: ( 0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 8.015 12.100 3.754) 14.992 2.115 ( 1.082 -2.961 0.574) 3.204 2.137 ( 0.749 6.955 5.150) 8.686 2.269 ( -1.041 -0.446 -0.541) 1.255 2.627 ( 10.607 1.409 -1.962) 10.879 2.707 ( 10.834 -1.272 -1.186) 10.972 3.260 ( 0.262 -0.208 16.682) 16.686 3.391 ( -3.199 -6.609 18.858) 20.237 3.767 ( 3.587 21.094 -1.194) 21.430 3.889 ( 0.368 11.709 5.729) 13.041 4.658 ( 20.437 6.844 4.133) 21.945 4.843 ( 5.055 4.222 1.278) 6.709 5.163 ( -2.087 0.687 1.358) 2.583 5.493 ( 5.583 -0.957 -0.664) 5.704 5.687 ( -2.514 -14.297 0.526) 14.526 5.834 ( 3.210 0.979 -0.955) 3.490 5.946 ( 2.027 -5.597 0.887) 6.018 6.165 ( 1.699 -6.612 0.992) 6.899 6.373 ( 0.087 -0.804 -3.745) 3.831 6.443 ( -2.025 -2.010 -1.955) 3.459 7.010 ( -0.495 -1.996 0.780) 2.199 7.064 ( -1.908 -4.413 1.552) 5.052 7.222 ( 13.299 5.249 -3.869) 14.812 7.286 ( 8.912 6.143 -5.694) 12.230 7.390 ( 8.107 5.590 0.202) 9.850 7.540 ( 1.435 -0.018 -0.540) 1.534 7.625 ( 3.030 -1.555 0.822) 3.504 7.850 ( 3.539 -8.140 4.294) 9.860 9.009 ( -15.336 4.862 -5.307) 16.941 9.046 ( -18.565 1.902 -5.919) 19.578 16.132 ( 4.083 0.372 1.010) 4.223 16.163 ( 3.161 -1.081 1.680) 3.739 17.232 ( 0.262 0.499 -3.684) 3.727 17.254 ( -0.385 -0.468 -3.315) 3.370 22.841 ( -0.563 1.079 -0.055) 1.219 22.849 ( -1.071 0.893 -0.137) 1.402 26.196 ( -0.765 -0.135 0.469) 0.908 26.209 ( -1.177 -0.521 0.143) 1.295 35.217 ( 16.365 -1.549 -5.246) 17.255 35.345 ( 15.425 -8.163 -5.648) 18.343 36.617 ( -5.536 0.291 7.439) 9.277 36.737 ( -8.254 -5.629 14.505) 17.613 ======================= Grid point 112 (45/125) ======================= q-point: ( 0.44 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 7.711 8.610 3.557) 12.093 2.054 ( -5.539 5.246 4.009) 8.618 2.180 ( 2.594 0.819 0.286) 2.735 2.229 ( -2.428 0.352 -0.751) 2.566 2.794 ( 5.623 1.160 -0.498) 5.763 2.832 ( 1.971 -0.228 -0.309) 2.008 3.282 ( 1.932 -1.374 17.237) 17.400 3.331 ( -2.898 -3.779 18.171) 18.784 3.819 ( 2.332 22.606 1.027) 22.749 3.865 ( -2.207 18.864 3.894) 19.387 4.938 ( 4.217 0.568 0.687) 4.310 4.961 ( 5.257 -2.412 1.744) 6.042 5.208 ( 10.097 -4.186 2.625) 11.241 5.444 ( -9.900 -13.253 2.448) 16.722 5.707 ( 4.154 3.429 -0.685) 5.430 5.794 ( -4.300 7.460 -0.231) 8.614 6.073 ( 7.484 -10.379 -1.550) 12.890 6.175 ( -1.997 -9.155 -1.417) 9.477 6.366 ( 0.405 2.385 -2.884) 3.764 6.400 ( -2.402 -0.261 -1.803) 3.015 7.003 ( 0.130 -3.925 1.294) 4.134 7.021 ( -1.772 -4.968 1.403) 5.458 7.387 ( 5.732 4.148 -3.336) 7.822 7.458 ( 0.468 6.082 -1.452) 6.270 7.554 ( 5.047 6.085 -0.496) 7.921 7.606 ( 5.064 -1.651 -1.188) 5.457 7.666 ( 7.844 1.462 -0.407) 7.989 7.864 ( -4.484 -5.470 -0.158) 7.075 8.744 ( -7.560 2.508 -4.475) 9.136 8.776 ( -9.254 1.966 -3.536) 10.100 16.193 ( 1.956 -0.037 1.429) 2.423 16.204 ( 0.846 -0.549 1.716) 1.990 17.240 ( 0.437 0.150 -3.699) 3.728 17.247 ( -0.328 -0.178 -3.523) 3.543 22.834 ( -0.171 0.939 0.043) 0.955 22.835 ( -0.339 0.902 0.063) 0.966 26.188 ( -0.096 -0.266 0.320) 0.427 26.192 ( -0.512 -0.379 0.210) 0.671 35.469 ( 8.624 -2.552 -5.656) 10.625 35.528 ( 3.023 -5.446 -6.204) 8.791 36.552 ( -0.527 -1.832 8.742) 8.947 36.601 ( -5.202 -4.126 11.375) 13.171 ======================= Grid point 117 (46/125) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 -14.640 4.442) 15.299 1.295 ( 0.000 14.640 4.442) 15.299 1.882 ( 0.000 -15.427 -0.234) 15.429 1.882 ( 0.000 15.427 -0.234) 15.429 2.523 ( 0.000 -2.238 -1.147) 2.515 2.523 ( 0.000 2.238 -1.147) 2.515 3.365 ( 0.000 -6.244 21.443) 22.334 3.365 ( 0.000 6.244 21.443) 22.334 3.428 ( 0.000 -4.674 -1.529) 4.918 3.428 ( 0.000 4.674 -1.529) 4.918 4.778 ( 0.000 -15.475 -1.038) 15.510 4.778 ( 0.000 15.475 -1.038) 15.510 5.247 ( 0.000 -5.503 0.069) 5.504 5.247 ( 0.000 5.503 0.069) 5.504 5.532 ( 0.000 -14.073 7.317) 15.861 5.532 ( 0.000 14.073 7.317) 15.861 5.825 ( 0.000 -9.018 -3.515) 9.679 5.825 ( 0.000 9.018 -3.515) 9.679 6.484 ( 0.000 -2.026 1.499) 2.520 6.484 ( 0.000 2.026 1.499) 2.520 6.876 ( 0.000 -10.766 -0.297) 10.770 6.876 ( 0.000 10.766 -0.297) 10.770 7.099 ( 0.000 -8.130 -4.430) 9.259 7.099 ( 0.000 8.130 -4.430) 9.259 7.175 ( 0.000 -5.241 0.231) 5.246 7.175 ( 0.000 5.241 0.231) 5.246 7.560 ( 0.000 -8.268 7.005) 10.836 7.560 ( 0.000 8.268 7.005) 10.836 9.786 ( 0.000 -8.440 -10.091) 13.155 9.786 ( 0.000 8.440 -10.091) 13.155 15.962 ( 0.000 -1.520 -0.095) 1.523 15.962 ( 0.000 1.520 -0.095) 1.523 17.269 ( 0.000 -0.649 -2.878) 2.951 17.269 ( 0.000 0.649 -2.878) 2.951 22.914 ( 0.000 -1.756 -1.083) 2.064 22.914 ( 0.000 1.756 -1.083) 2.064 26.276 ( 0.000 -0.277 -0.108) 0.297 26.276 ( 0.000 0.277 -0.108) 0.297 34.326 ( 0.000 -8.555 1.125) 8.629 34.326 ( 0.000 8.555 1.125) 8.629 36.970 ( 0.000 -4.419 12.410) 13.174 36.970 ( 0.000 4.419 12.410) 13.174 ======================= Grid point 119 (47/125) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 23.781 -9.528 2.443) 25.734 1.584 ( 23.781 9.528 2.443) 25.734 1.903 ( 2.705 -14.339 0.708) 14.609 1.903 ( 2.705 14.339 0.708) 14.609 2.504 ( -1.462 -1.965 -1.572) 2.910 2.504 ( -1.462 1.965 -1.572) 2.910 3.341 ( -1.569 -5.252 19.293) 20.057 3.341 ( -1.569 5.252 19.293) 20.057 3.551 ( 10.895 -5.048 1.336) 12.082 3.551 ( 10.895 5.048 1.336) 12.082 4.771 ( -0.338 -14.940 -0.503) 14.953 4.771 ( -0.338 14.940 -0.503) 14.953 5.285 ( 3.799 -3.339 -0.126) 5.059 5.285 ( 3.799 3.339 -0.126) 5.059 5.485 ( -3.509 -8.365 6.376) 11.088 5.485 ( -3.509 8.365 6.376) 11.088 5.905 ( 6.287 -4.508 -2.817) 8.233 5.905 ( 6.287 4.508 -2.817) 8.233 6.457 ( -2.270 -3.229 0.360) 3.964 6.457 ( -2.270 3.229 0.360) 3.964 6.931 ( 5.118 -7.653 -0.489) 9.219 6.931 ( 5.118 7.653 -0.489) 9.219 7.114 ( 0.058 -2.956 -3.635) 4.685 7.114 ( 0.058 2.956 -3.635) 4.685 7.209 ( 4.875 -2.376 -0.298) 5.431 7.209 ( 4.875 2.376 -0.298) 5.431 7.576 ( 1.454 -7.989 6.708) 10.532 7.576 ( 1.454 7.989 6.708) 10.532 9.682 ( -10.284 -6.894 -9.474) 15.590 9.682 ( -10.284 6.894 -9.474) 15.590 15.991 ( 2.857 -1.416 0.155) 3.192 15.991 ( 2.857 1.416 0.155) 3.192 17.262 ( -0.662 -0.735 -2.966) 3.127 17.262 ( -0.662 0.735 -2.966) 3.127 22.902 ( -1.094 -1.374 -0.863) 1.957 22.902 ( -1.094 1.374 -0.863) 1.957 26.259 ( -1.539 -0.401 0.036) 1.591 26.259 ( -1.539 0.401 0.036) 1.591 34.487 ( 15.311 -6.004 0.008) 16.446 34.487 ( 15.311 6.004 0.008) 16.446 36.922 ( -4.747 -4.286 11.942) 13.547 36.922 ( -4.747 4.286 11.942) 13.547 ======================= Grid point 121 (48/125) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 5.583 -11.173 -0.779) 12.515 1.899 ( 5.583 11.173 -0.779) 12.515 2.099 ( 15.574 -4.993 3.902) 16.814 2.099 ( 15.574 4.993 3.902) 16.814 2.503 ( 3.153 -0.796 -2.920) 4.371 2.503 ( 3.153 0.796 -2.920) 4.371 3.310 ( -1.487 -4.419 19.646) 20.192 3.310 ( -1.487 4.419 19.646) 20.192 3.801 ( 13.138 -4.056 1.862) 13.876 3.801 ( 13.138 4.056 1.862) 13.876 4.781 ( 1.680 -12.448 0.538) 12.572 4.781 ( 1.680 12.448 0.538) 12.572 5.339 ( -1.385 -15.591 2.298) 15.820 5.339 ( -1.385 15.591 2.298) 15.820 5.478 ( 6.043 -10.993 2.518) 12.794 5.478 ( 6.043 10.993 2.518) 12.794 6.004 ( 2.905 -1.588 -1.179) 3.514 6.004 ( 2.905 1.588 -1.179) 3.514 6.419 ( -1.230 -3.815 -1.823) 4.403 6.419 ( -1.230 3.815 -1.823) 4.403 7.029 ( 1.724 -1.407 1.071) 2.470 7.029 ( 1.724 1.407 1.071) 2.470 7.126 ( 4.877 -3.709 -6.000) 8.576 7.126 ( 4.877 3.709 -6.000) 8.576 7.361 ( 9.592 -7.732 -0.081) 12.321 7.361 ( 9.592 7.732 -0.081) 12.321 7.611 ( 1.989 -7.714 5.662) 9.774 7.611 ( 1.989 7.714 5.662) 9.774 9.410 ( -16.740 -3.491 -7.940) 18.854 9.410 ( -16.740 3.491 -7.940) 18.854 16.064 ( 4.252 -1.160 0.696) 4.462 16.064 ( 4.252 1.160 0.696) 4.462 17.249 ( -0.531 -0.767 -3.188) 3.322 17.249 ( -0.531 0.767 -3.188) 3.322 22.877 ( -1.295 -0.679 -0.427) 1.523 22.877 ( -1.295 0.679 -0.427) 1.523 26.226 ( -1.665 -0.499 0.233) 1.754 26.226 ( -1.665 0.499 0.233) 1.754 34.857 ( 20.619 -2.876 -2.028) 20.917 34.857 ( 20.619 2.876 -2.028) 20.917 36.798 ( -7.491 -3.850 10.751) 13.657 36.798 ( -7.491 3.850 10.751) 13.657 ======================= Grid point 123 (49/125) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 4.452 -9.049 0.437) 10.095 1.988 ( 4.452 9.049 0.437) 10.095 2.236 ( 0.096 -2.982 1.678) 3.423 2.236 ( 0.096 2.982 1.678) 3.423 2.666 ( 10.574 -2.329 -1.901) 10.993 2.666 ( 10.574 2.329 -1.901) 10.993 3.286 ( -0.895 -3.134 19.991) 20.255 3.286 ( -0.895 3.134 19.991) 20.255 4.011 ( 7.597 -1.869 0.984) 7.885 4.011 ( 7.597 1.869 0.984) 7.885 4.846 ( 4.853 -6.550 1.416) 8.274 4.846 ( 4.853 6.550 1.416) 8.274 5.271 ( -4.162 -12.758 4.107) 14.034 5.271 ( -4.162 12.758 4.107) 14.034 5.666 ( 10.820 -9.633 -0.447) 14.493 5.666 ( 10.820 9.633 -0.447) 14.493 6.016 ( -1.104 -6.730 0.261) 6.825 6.016 ( -1.104 6.730 0.261) 6.825 6.407 ( -0.345 -2.073 -3.397) 3.995 6.407 ( -0.345 2.073 -3.397) 3.995 7.002 ( -2.411 -1.389 1.537) 3.179 7.002 ( -2.411 1.389 1.537) 3.179 7.302 ( 10.518 -2.334 -6.560) 12.614 7.302 ( 10.518 2.334 -6.560) 12.614 7.540 ( 7.090 -5.997 1.624) 9.427 7.540 ( 7.090 5.997 1.624) 9.427 7.655 ( 3.242 -9.859 2.332) 10.637 7.655 ( 3.242 9.859 2.332) 10.637 9.064 ( -17.513 -0.657 -6.082) 18.550 9.064 ( -17.513 0.657 -6.082) 18.550 16.144 ( 3.647 -0.778 1.175) 3.910 16.144 ( 3.647 0.778 1.175) 3.910 17.243 ( -0.086 -0.552 -3.422) 3.467 17.243 ( -0.086 0.552 -3.422) 3.467 22.855 ( -0.848 -0.225 -0.092) 0.882 22.855 ( -0.848 0.225 -0.092) 0.882 26.199 ( -0.988 -0.355 0.271) 1.084 26.199 ( -0.988 0.355 0.271) 1.084 35.229 ( 16.223 -3.008 -3.283) 16.823 35.229 ( 16.223 3.008 -3.283) 16.823 36.650 ( -7.041 -2.948 9.343) 12.065 36.650 ( -7.041 2.948 9.343) 12.065 ======================= Grid point 125 (50/125) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 3.186 -4.729 1.698) 5.949 2.069 ( 3.186 4.729 1.698) 5.949 2.202 ( -2.196 -2.407 -0.508) 3.297 2.202 ( -2.196 2.407 -0.508) 3.297 2.816 ( 3.962 -1.069 -0.443) 4.127 2.816 ( 3.962 1.069 -0.443) 4.127 3.276 ( -0.212 -1.150 20.239) 20.272 3.276 ( -0.212 1.150 20.239) 20.272 4.099 ( 1.909 -0.509 -0.230) 1.989 4.099 ( 1.909 0.509 -0.230) 1.989 4.943 ( 3.865 -0.595 1.231) 4.100 4.943 ( 3.865 0.595 1.231) 4.100 5.197 ( -2.862 -6.155 4.968) 8.412 5.197 ( -2.862 6.155 4.968) 8.412 5.838 ( 5.365 -8.254 0.108) 9.845 5.838 ( 5.365 8.254 0.108) 9.845 5.989 ( -1.072 -8.191 -1.660) 8.426 5.989 ( -1.072 8.191 -1.660) 8.426 6.399 ( -0.393 -0.615 -3.541) 3.616 6.399 ( -0.393 0.615 -3.541) 3.616 6.964 ( -1.111 -0.415 2.180) 2.482 6.964 ( -1.111 0.415 2.180) 2.482 7.485 ( 7.111 -5.374 -2.485) 9.253 7.485 ( 7.111 5.374 -2.485) 9.253 7.586 ( -1.361 -5.146 0.135) 5.325 7.586 ( -1.361 5.146 0.135) 5.325 7.755 ( 4.636 -5.535 -1.629) 7.402 7.755 ( 4.636 5.535 -1.629) 7.402 8.784 ( -9.053 -1.042 -4.434) 10.134 8.784 ( -9.053 1.042 -4.434) 10.134 16.195 ( 1.423 -0.275 1.425) 2.032 16.195 ( 1.423 0.275 1.425) 2.032 17.243 ( 0.046 -0.194 -3.560) 3.565 17.243 ( 0.046 0.194 -3.560) 3.565 22.844 ( -0.275 -0.045 0.062) 0.285 22.844 ( -0.275 0.045 0.062) 0.285 26.187 ( -0.299 -0.119 0.233) 0.397 26.187 ( -0.299 0.119 0.233) 0.397 35.455 ( 6.167 -1.455 -3.618) 7.296 35.455 ( 6.167 1.455 -3.618) 7.296 36.546 ( -3.035 -1.203 8.356) 8.971 36.546 ( -3.035 1.203 8.356) 8.971 ======================= Grid point 162 (51/125) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 0.000 17.231) 17.231 0.848 ( 0.000 0.000 21.577) 21.577 1.888 ( 0.000 0.000 30.376) 30.376 2.233 ( 0.000 0.000 -7.745) 7.745 2.286 ( 0.000 0.000 -3.155) 3.155 2.418 ( 0.000 0.000 6.905) 6.905 2.651 ( 0.000 0.000 -10.985) 10.985 3.273 ( 0.000 0.000 -5.696) 5.696 3.697 ( 0.000 0.000 4.779) 4.779 3.790 ( 0.000 0.000 -10.612) 10.612 4.154 ( 0.000 0.000 21.219) 21.219 4.753 ( 0.000 0.000 -0.541) 0.541 5.159 ( 0.000 0.000 0.895) 0.895 5.326 ( 0.000 0.000 42.577) 42.577 5.418 ( 0.000 0.000 -6.042) 6.042 5.660 ( 0.000 0.000 -1.257) 1.257 5.744 ( 0.000 0.000 -2.946) 2.946 5.997 ( 0.000 0.000 0.336) 0.336 6.000 ( 0.000 0.000 -5.993) 5.993 6.603 ( 0.000 0.000 8.913) 8.913 6.697 ( 0.000 0.000 4.556) 4.556 7.184 ( 0.000 0.000 -9.730) 9.730 7.223 ( 0.000 0.000 0.874) 0.874 7.294 ( 0.000 0.000 -0.830) 0.830 7.520 ( 0.000 0.000 -0.197) 0.197 7.548 ( 0.000 0.000 0.215) 0.215 7.729 ( 0.000 0.000 -0.730) 0.730 8.100 ( 0.000 0.000 2.086) 2.086 8.464 ( 0.000 0.000 -6.059) 6.059 9.854 ( 0.000 0.000 -19.190) 19.190 15.878 ( 0.000 0.000 -0.131) 0.131 16.036 ( 0.000 0.000 -0.256) 0.256 17.173 ( 0.000 0.000 -5.380) 5.380 17.321 ( 0.000 0.000 -1.254) 1.254 22.760 ( 0.000 0.000 -0.085) 0.085 22.803 ( 0.000 0.000 0.199) 0.199 26.283 ( 0.000 0.000 -0.795) 0.795 26.346 ( 0.000 0.000 2.186) 2.186 33.923 ( 0.000 0.000 1.673) 1.673 34.823 ( 0.000 0.000 2.006) 2.006 37.058 ( 0.000 0.000 7.547) 7.547 39.012 ( 0.000 0.000 -0.174) 0.174 ======================= Grid point 163 (52/125) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 4.217 0.000 20.159) 20.595 1.369 ( 43.532 0.000 5.646) 43.896 1.911 ( 3.066 0.000 27.609) 27.779 2.269 ( -1.732 0.000 -2.680) 3.191 2.323 ( 7.096 0.000 -3.790) 8.045 2.407 ( 0.389 0.000 4.202) 4.220 2.640 ( -1.080 0.000 -11.026) 11.079 3.403 ( -17.188 0.000 -2.208) 17.330 3.452 ( 16.716 0.000 -1.531) 16.786 4.072 ( 15.979 0.000 -3.346) 16.325 4.102 ( -3.134 0.000 24.756) 24.953 4.941 ( 11.307 0.000 8.436) 14.107 5.151 ( -0.670 0.000 0.155) 0.688 5.176 ( -3.441 0.000 27.109) 27.326 5.455 ( 3.202 0.000 -4.945) 5.891 5.722 ( -2.329 0.000 -2.508) 3.423 5.772 ( 7.285 0.000 -0.047) 7.285 5.864 ( -6.077 0.000 -4.606) 7.626 6.176 ( 10.291 0.000 -1.123) 10.352 6.630 ( 2.635 0.000 8.580) 8.976 6.704 ( 0.652 0.000 4.628) 4.674 7.173 ( -3.247 0.000 -4.683) 5.698 7.206 ( 0.229 0.000 -6.987) 6.991 7.314 ( 2.018 0.000 -0.786) 2.166 7.480 ( -4.862 0.000 -0.145) 4.864 7.504 ( -1.686 0.000 -0.134) 1.692 7.876 ( 10.779 0.000 -0.066) 10.779 8.077 ( -2.290 0.000 2.088) 3.099 8.468 ( 0.219 0.000 -5.450) 5.455 9.660 ( -17.153 0.000 -14.025) 22.157 15.938 ( 4.993 0.000 -0.327) 5.004 16.101 ( 5.992 0.000 -0.772) 6.042 17.158 ( -1.517 0.000 -4.545) 4.791 17.271 ( -3.784 0.000 -1.341) 4.014 22.761 ( 0.082 0.000 -0.081) 0.115 22.801 ( -0.204 0.000 0.194) 0.282 26.269 ( -1.218 0.000 -0.732) 1.421 26.332 ( -1.288 0.000 2.108) 2.470 34.211 ( 24.077 0.000 -10.378) 26.219 34.932 ( 10.636 0.000 -0.098) 10.636 37.023 ( -3.233 0.000 7.954) 8.586 38.739 ( -24.390 0.000 9.141) 26.046 ======================= Grid point 164 (53/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 9.180 0.000 16.418) 18.810 1.916 ( 7.579 0.000 22.008) 23.277 2.173 ( 19.821 0.000 1.329) 19.865 2.214 ( -4.133 0.000 -1.210) 4.307 2.398 ( 8.114 0.000 3.790) 8.955 2.554 ( 11.461 0.000 -2.990) 11.845 2.611 ( -1.733 0.000 -11.024) 11.159 3.075 ( -15.841 0.000 -3.048) 16.131 3.805 ( 13.807 0.000 12.808) 18.833 4.144 ( 12.313 0.000 23.216) 26.279 4.375 ( 14.873 0.000 -2.125) 15.024 4.822 ( -11.580 0.000 35.867) 37.690 5.141 ( -0.314 0.000 -1.443) 1.477 5.477 ( 11.113 0.000 -7.749) 13.548 5.638 ( 24.734 0.000 -6.062) 25.466 5.654 ( -4.502 0.000 -1.881) 4.879 5.753 ( -5.424 0.000 -5.865) 7.989 5.898 ( 6.178 0.000 -0.917) 6.246 6.390 ( 11.079 0.000 0.368) 11.085 6.696 ( 3.259 0.000 7.419) 8.103 6.726 ( 2.336 0.000 4.957) 5.480 7.053 ( -9.135 0.000 -6.925) 11.463 7.199 ( -2.794 0.000 -5.531) 6.197 7.367 ( 2.570 0.000 -0.628) 2.646 7.416 ( 0.516 0.000 -1.935) 2.002 7.460 ( -2.045 0.000 0.085) 2.047 8.012 ( -4.350 0.000 2.051) 4.809 8.056 ( 6.804 0.000 1.851) 7.051 8.461 ( -1.250 0.000 -3.230) 3.463 9.287 ( -19.478 0.000 -10.447) 22.103 16.046 ( 5.870 0.000 0.637) 5.904 16.223 ( 5.429 0.000 0.442) 5.447 17.125 ( -1.333 0.000 -3.568) 3.809 17.213 ( -2.005 0.000 -3.680) 4.191 22.763 ( 0.167 0.000 -0.066) 0.180 22.796 ( -0.350 0.000 0.176) 0.392 26.243 ( -1.281 0.000 -0.617) 1.421 26.300 ( -1.913 0.000 1.775) 2.610 34.676 ( 21.524 0.000 -18.135) 28.145 35.189 ( 13.633 0.000 -7.172) 15.405 36.955 ( -2.921 0.000 9.415) 9.858 38.206 ( -27.607 0.000 18.382) 33.167 ======================= Grid point 165 (54/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 13.677 0.000 11.858) 18.101 2.032 ( 5.646 0.000 19.428) 20.232 2.088 ( -9.293 0.000 1.335) 9.388 2.262 ( -1.262 0.000 7.177) 7.287 2.581 ( -0.997 0.000 -10.411) 10.459 2.679 ( 11.499 0.000 -2.967) 11.876 2.785 ( 10.186 0.000 -1.128) 10.248 2.807 ( -10.973 0.000 -4.418) 11.829 3.943 ( 4.860 0.000 28.159) 28.575 4.436 ( -1.455 0.000 27.810) 27.848 4.650 ( 13.242 0.000 -1.473) 13.324 4.786 ( 21.217 0.000 18.225) 27.970 5.130 ( -1.390 0.000 -2.593) 2.942 5.562 ( -4.177 0.000 -2.077) 4.665 5.606 ( 4.724 0.000 -6.998) 8.444 5.651 ( -5.003 0.000 -6.404) 8.126 5.955 ( 4.959 0.000 -6.980) 8.562 6.264 ( 28.254 0.000 -6.999) 29.108 6.581 ( 7.656 0.000 2.769) 8.141 6.725 ( 0.474 0.000 5.885) 5.904 6.795 ( -17.218 0.000 -4.244) 17.733 6.829 ( 7.614 0.000 4.167) 8.680 7.099 ( -6.348 0.000 -5.580) 8.452 7.329 ( -5.698 0.000 0.029) 5.698 7.506 ( 5.830 0.000 0.202) 5.834 7.532 ( 10.871 0.000 -4.144) 11.634 7.910 ( -6.008 0.000 1.867) 6.291 8.135 ( 1.183 0.000 4.761) 4.906 8.422 ( -2.054 0.000 -1.390) 2.480 8.919 ( -18.235 0.000 -10.432) 21.008 16.160 ( 5.507 0.000 1.724) 5.771 16.295 ( 1.930 0.000 2.519) 3.173 17.118 ( 0.588 0.000 -4.577) 4.615 17.184 ( -1.156 0.000 -4.773) 4.911 22.767 ( 0.255 0.000 -0.033) 0.257 22.788 ( -0.412 0.000 0.139) 0.435 26.223 ( -0.685 0.000 -0.285) 0.742 26.262 ( -1.816 0.000 1.271) 2.216 35.041 ( 15.876 0.000 -17.724) 23.794 35.393 ( 6.242 0.000 -13.260) 14.656 36.942 ( 2.281 0.000 12.094) 12.308 37.708 ( -22.821 0.000 19.629) 30.101 ======================= Grid point 166 (55/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 16.016 0.000 7.789) 17.809 1.848 ( -14.807 0.000 4.423) 15.454 2.137 ( 4.888 0.000 14.435) 15.240 2.217 ( -3.230 0.000 10.182) 10.682 2.585 ( 1.646 0.000 -8.754) 8.907 2.651 ( -5.332 0.000 -6.652) 8.525 2.839 ( 5.475 0.000 -0.398) 5.489 2.890 ( 0.763 0.000 -0.251) 0.803 4.068 ( 8.134 0.000 31.804) 32.828 4.257 ( -10.835 0.000 33.227) 34.949 4.887 ( 10.771 0.000 -1.383) 10.859 5.058 ( -6.343 0.000 -2.089) 6.678 5.325 ( 24.795 0.000 2.213) 24.894 5.519 ( 0.214 0.000 -4.003) 4.009 5.563 ( -3.755 0.000 -5.870) 6.968 5.620 ( -5.399 0.000 -5.208) 7.502 6.085 ( 10.732 0.000 -3.372) 11.250 6.408 ( -20.519 0.000 -0.197) 20.520 6.683 ( 3.191 0.000 5.055) 5.978 6.714 ( 16.826 0.000 -10.946) 20.073 6.721 ( -0.940 0.000 5.755) 5.832 6.955 ( -8.947 0.000 -9.378) 12.961 7.006 ( 9.727 0.000 1.637) 9.864 7.187 ( -8.498 0.000 0.587) 8.518 7.638 ( 7.282 0.000 0.818) 7.328 7.780 ( -7.093 0.000 1.449) 7.240 7.815 ( 16.540 0.000 -1.283) 16.590 8.078 ( -8.169 0.000 4.512) 9.332 8.423 ( 3.375 0.000 -2.918) 4.462 8.591 ( -13.945 0.000 -7.991) 16.073 16.252 ( 3.763 0.000 2.605) 4.577 16.301 ( -1.182 0.000 3.082) 3.301 17.139 ( 1.279 0.000 -5.091) 5.250 17.163 ( -1.138 0.000 -5.044) 5.171 22.773 ( 0.339 0.000 0.019) 0.339 22.780 ( -0.400 0.000 0.082) 0.408 26.219 ( 0.228 0.000 0.201) 0.304 26.232 ( -1.161 0.000 0.729) 1.371 35.295 ( 10.023 0.000 -17.052) 19.779 35.424 ( -2.857 0.000 -15.965) 16.218 37.060 ( 9.822 0.000 15.123) 18.033 37.321 ( -16.719 0.000 17.740) 24.377 ======================= Grid point 171 (56/125) ======================= q-point: ( 0.00 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 5.349 15.734) 16.618 1.119 ( 0.000 19.000 17.688) 25.959 1.970 ( 0.000 8.443 23.830) 25.282 2.141 ( 0.000 -8.397 -5.584) 10.084 2.316 ( 0.000 2.643 -2.914) 3.934 2.377 ( 0.000 -2.517 6.110) 6.608 2.823 ( 0.000 15.576 -12.085) 19.715 3.263 ( 0.000 -0.725 -5.538) 5.585 3.699 ( 0.000 -0.615 3.266) 3.323 3.777 ( 0.000 -1.509 0.202) 1.523 4.211 ( 0.000 6.122 15.161) 16.350 4.812 ( 0.000 5.726 -0.305) 5.734 4.919 ( 0.000 -16.161 21.267) 26.711 5.401 ( 0.000 -1.032 -5.301) 5.400 5.503 ( 0.000 11.355 22.722) 25.402 5.565 ( 0.000 -5.818 -1.417) 5.988 5.812 ( 0.000 3.901 -3.561) 5.282 6.071 ( 0.000 6.107 -5.499) 8.218 6.120 ( 0.000 10.358 0.235) 10.361 6.616 ( 0.000 0.581 8.294) 8.314 6.710 ( 0.000 0.924 3.763) 3.874 7.192 ( 0.000 -2.735 0.619) 2.805 7.194 ( 0.000 1.414 -8.350) 8.468 7.274 ( 0.000 -2.177 -0.604) 2.260 7.395 ( 0.000 -11.282 -1.402) 11.368 7.517 ( 0.000 -2.980 0.214) 2.987 7.705 ( 0.000 -20.029 1.889) 20.118 7.906 ( 0.000 6.892 0.114) 6.893 8.774 ( 0.000 18.646 -6.984) 19.911 9.793 ( 0.000 -5.088 -19.299) 19.959 15.884 ( 0.000 0.615 -0.133) 0.630 16.030 ( 0.000 -0.557 -0.246) 0.609 17.175 ( 0.000 0.136 -5.173) 5.175 17.292 ( 0.000 -2.320 -1.079) 2.559 22.792 ( 0.000 2.162 -1.176) 2.462 22.821 ( 0.000 1.922 -0.529) 1.994 26.282 ( 0.000 -0.133 -0.640) 0.654 26.328 ( 0.000 -1.410 2.162) 2.581 33.955 ( 0.000 3.068 1.666) 3.491 34.786 ( 0.000 -3.539 1.979) 4.055 37.049 ( 0.000 -0.601 7.962) 7.985 38.610 ( 0.000 -31.756 16.326) 35.707 ======================= Grid point 172 (57/125) ======================= q-point: ( 0.11 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 5.514 15.736 16.940) 23.770 1.406 ( 38.433 3.820 6.126) 39.105 1.986 ( 2.408 7.262 20.239) 21.637 2.240 ( 8.385 -6.605 -1.428) 10.770 2.298 ( -1.758 2.553 -2.304) 3.862 2.373 ( 0.434 -2.535 3.612) 4.433 2.799 ( -1.980 14.414 -11.356) 18.456 3.439 ( 7.058 1.202 -1.030) 7.234 3.483 ( -3.737 4.424 -2.389) 6.264 3.946 ( 7.475 -5.895 14.604) 17.433 4.246 ( 5.246 7.763 8.739) 12.812 4.826 ( -5.338 -11.765 25.582) 28.659 5.032 ( 17.713 -0.245 -1.806) 17.807 5.354 ( -6.852 6.642 8.823) 12.997 5.425 ( 1.733 -1.469 -4.611) 5.140 5.700 ( 5.290 0.269 3.976) 6.623 5.813 ( 0.994 3.077 -2.809) 4.283 5.969 ( -4.788 8.311 -4.422) 10.562 6.274 ( 10.035 8.639 -0.773) 13.264 6.639 ( 2.350 0.294 7.940) 8.286 6.720 ( 1.066 1.367 3.815) 4.190 7.141 ( -5.719 -4.086 -3.305) 7.767 7.183 ( -0.239 -1.637 -6.633) 6.836 7.287 ( 2.881 -2.137 -2.235) 4.226 7.400 ( -2.506 -7.204 -0.439) 7.640 7.522 ( 0.990 -0.758 0.808) 1.485 7.730 ( 1.813 -20.066 2.339) 20.283 7.951 ( 4.545 4.563 0.289) 6.447 8.753 ( -2.246 17.463 -6.413) 18.738 9.616 ( -16.040 -3.703 -15.312) 22.482 15.939 ( 4.773 0.194 -0.162) 4.780 16.087 ( 5.337 -1.203 -0.382) 5.484 17.160 ( -1.437 0.194 -4.425) 4.656 17.255 ( -2.882 -1.355 -1.668) 3.595 22.788 ( -0.333 2.069 -0.918) 2.288 22.816 ( -0.424 1.507 -0.155) 1.573 26.267 ( -1.256 -0.170 -0.567) 1.389 26.316 ( -1.169 -1.333 2.075) 2.730 34.219 ( 22.666 1.000 -8.285) 24.154 34.895 ( 10.614 -3.574 0.293) 11.203 37.012 ( -3.463 -0.804 8.272) 9.004 38.419 ( -17.648 -26.078 19.186) 36.873 ======================= Grid point 173 (58/125) ======================= q-point: ( 0.22 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 7.629 16.130 14.385) 22.920 1.950 ( 9.051 3.263 16.985) 19.521 2.175 ( 15.191 0.041 0.783) 15.211 2.245 ( -3.852 2.569 -0.653) 4.676 2.372 ( 9.513 -1.098 3.307) 10.131 2.493 ( 11.347 -4.317 -1.454) 12.227 2.762 ( -1.371 13.465 -10.628) 17.209 3.197 ( -13.162 10.232 -3.414) 17.018 3.797 ( 11.927 -0.768 13.964) 18.380 4.128 ( 17.231 -0.526 20.108) 26.487 4.423 ( 11.031 3.079 2.172) 11.657 4.691 ( -6.868 -8.593 30.982) 32.877 5.216 ( -3.852 4.097 1.379) 5.790 5.469 ( 6.033 -6.877 -5.083) 10.465 5.515 ( 19.938 1.143 -7.737) 21.418 5.700 ( -3.500 3.912 -0.729) 5.300 5.883 ( 3.701 2.451 -2.939) 5.324 5.933 ( 4.291 7.862 -2.679) 9.349 6.475 ( 9.701 7.112 1.097) 12.079 6.707 ( 4.669 0.101 6.176) 7.743 6.751 ( 1.943 2.879 3.735) 5.100 6.994 ( -9.254 -5.776 -5.979) 12.440 7.178 ( -1.609 -2.008 -5.467) 6.042 7.306 ( -1.001 -6.298 0.840) 6.432 7.397 ( 4.780 -1.913 -3.638) 6.304 7.515 ( -2.119 4.206 -0.132) 4.712 7.746 ( -0.423 -17.048 3.126) 17.337 8.057 ( 5.233 -0.105 1.981) 5.596 8.685 ( -4.714 14.536 -4.570) 15.950 9.256 ( -19.305 -2.667 -11.717) 22.740 16.046 ( 5.816 -0.012 0.678) 5.855 16.201 ( 5.388 -1.902 0.712) 5.758 17.129 ( -1.249 0.405 -3.648) 3.877 17.208 ( -1.720 -0.442 -3.808) 4.201 22.782 ( -0.213 1.647 -0.428) 1.715 22.807 ( -0.464 1.061 0.109) 1.163 26.241 ( -1.315 -0.244 -0.484) 1.422 26.286 ( -1.748 -1.147 1.767) 2.737 34.673 ( 21.537 -0.203 -15.990) 26.825 35.156 ( 14.199 -3.194 -5.875) 15.695 36.937 ( -3.507 -1.553 9.464) 10.212 38.009 ( -22.446 -16.946 21.505) 35.404 ======================= Grid point 174 (59/125) ======================= q-point: ( 0.33 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 11.478 13.816 10.797) 20.957 2.051 ( 2.558 2.696 14.151) 14.631 2.144 ( -5.546 3.937 3.376) 7.593 2.254 ( -0.578 -0.697 5.301) 5.378 2.625 ( 9.312 -2.904 -2.563) 10.085 2.674 ( 2.735 6.585 -4.520) 8.442 2.804 ( 7.437 5.414 -5.766) 10.857 2.979 ( -8.288 13.174 -4.486) 16.198 3.923 ( 4.818 -1.767 28.180) 28.644 4.392 ( -4.930 -4.305 29.766) 30.477 4.679 ( 15.354 2.370 0.121) 15.537 4.762 ( 23.337 -1.012 14.698) 27.598 5.148 ( -3.063 1.292 -1.294) 3.567 5.526 ( 1.421 -3.595 -5.767) 6.942 5.614 ( -4.585 3.405 -1.768) 5.979 5.726 ( 1.585 4.250 -7.292) 8.588 5.973 ( 4.808 1.941 -6.005) 7.934 6.231 ( 21.571 -2.228 -4.302) 22.108 6.617 ( 4.281 1.336 4.642) 6.455 6.696 ( -13.192 -7.275 -3.778) 15.532 6.799 ( 2.860 6.349 3.367) 7.735 6.894 ( 6.033 4.871 1.679) 7.934 7.099 ( -4.832 0.288 -4.995) 6.956 7.371 ( 4.828 -3.330 0.112) 5.866 7.443 ( -2.143 2.361 -0.833) 3.296 7.534 ( 8.498 -1.989 -4.373) 9.762 7.716 ( -2.532 -13.490 3.161) 14.085 8.128 ( 1.473 -1.120 4.277) 4.660 8.575 ( -6.021 10.612 -2.756) 12.508 8.891 ( -17.667 -2.342 -10.937) 20.910 16.158 ( 5.400 -0.159 1.674) 5.656 16.278 ( 2.299 -1.568 2.396) 3.672 17.122 ( 0.476 0.356 -4.526) 4.565 17.182 ( -1.069 -0.183 -4.756) 4.878 22.781 ( 0.048 1.232 -0.133) 1.240 22.798 ( -0.441 0.905 0.137) 1.015 26.220 ( -0.724 -0.302 -0.229) 0.817 26.252 ( -1.633 -0.878 1.272) 2.249 35.040 ( 16.081 0.047 -16.127) 22.774 35.376 ( 7.177 -1.678 -11.813) 13.923 36.908 ( 1.352 -3.012 11.847) 12.298 37.588 ( -20.013 -10.812 20.233) 30.444 ======================= Grid point 175 (60/125) ======================= q-point: ( 0.44 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 13.423 10.354 7.483) 18.530 1.923 ( -11.814 6.119 4.957) 14.198 2.162 ( 3.669 2.112 11.063) 11.846 2.223 ( -2.431 0.470 7.817) 8.200 2.691 ( 0.885 9.579 -5.844) 11.256 2.711 ( -0.069 4.078 -3.226) 5.201 2.900 ( 1.244 6.622 -3.224) 7.470 2.910 ( 0.856 4.252 -2.332) 4.925 4.042 ( 7.662 -2.215 31.947) 32.928 4.218 ( -9.885 -3.497 33.285) 34.897 4.903 ( 9.779 1.403 -0.518) 9.893 5.056 ( -5.364 -0.439 -0.945) 5.464 5.322 ( 23.531 -0.276 0.828) 23.547 5.522 ( -2.053 1.068 -4.445) 5.012 5.556 ( 0.360 0.115 -2.900) 2.925 5.688 ( -6.632 4.647 -3.520) 8.830 6.090 ( 8.745 0.648 -4.799) 9.996 6.359 ( -17.888 -4.544 -1.512) 18.518 6.555 ( 10.099 -8.402 -1.362) 13.208 6.651 ( -0.924 -4.228 4.781) 6.449 6.865 ( 4.327 7.685 -2.716) 9.228 6.958 ( -4.002 2.977 -5.907) 7.731 7.114 ( 8.537 7.883 -0.478) 11.630 7.286 ( -8.084 8.390 -0.073) 11.652 7.548 ( 6.404 -7.659 1.255) 10.062 7.649 ( -4.131 -10.418 2.003) 11.384 7.789 ( 16.725 -2.969 -2.699) 17.199 8.072 ( -8.993 -1.400 2.966) 9.572 8.493 ( -0.591 5.268 -3.662) 6.443 8.595 ( -11.106 0.623 -7.410) 13.366 16.247 ( 3.560 -0.439 2.483) 4.362 16.291 ( -0.849 -0.922 2.897) 3.156 17.140 ( 1.164 0.129 -5.027) 5.161 17.162 ( -1.063 -0.046 -5.009) 5.120 22.784 ( 0.245 0.997 0.010) 1.026 22.790 ( -0.371 0.898 0.093) 0.976 26.214 ( 0.141 -0.402 0.204) 0.473 26.226 ( -1.012 -0.601 0.721) 1.380 35.297 ( 10.014 0.229 -15.619) 18.555 35.422 ( -2.372 -0.246 -14.572) 14.766 37.006 ( 8.707 -4.930 14.781) 17.849 37.242 ( -15.130 -7.260 17.594) 24.314 ======================= Grid point 180 (61/125) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 8.815 12.583) 15.364 1.443 ( 0.000 12.708 15.449) 20.005 1.921 ( 0.000 -12.217 -1.226) 12.278 2.147 ( 0.000 3.804 3.946) 5.481 2.356 ( 0.000 2.701 6.779) 7.297 2.388 ( 0.000 3.679 -1.615) 4.018 3.257 ( 0.000 0.484 -5.001) 5.024 3.287 ( 0.000 29.319 -8.587) 30.550 3.646 ( 0.000 -4.685 0.824) 4.757 3.749 ( 0.000 -0.095 14.121) 14.121 4.311 ( 0.000 -2.807 11.437) 11.777 4.688 ( 0.000 0.163 23.399) 23.400 4.973 ( 0.000 9.155 0.388) 9.163 5.408 ( 0.000 2.547 -5.037) 5.645 5.452 ( 0.000 -5.211 -1.188) 5.345 5.704 ( 0.000 6.736 18.196) 19.403 5.877 ( 0.000 1.941 -4.630) 5.021 6.221 ( 0.000 8.011 -4.369) 9.125 6.367 ( 0.000 12.941 0.013) 12.941 6.606 ( 0.000 -2.106 6.092) 6.446 6.691 ( 0.000 -7.355 2.849) 7.888 6.995 ( 0.000 -19.083 -0.827) 19.101 7.131 ( 0.000 -2.615 0.337) 2.637 7.200 ( 0.000 -5.035 -0.330) 5.046 7.270 ( 0.000 5.155 -4.038) 6.548 7.403 ( 0.000 -9.239 2.439) 9.555 7.430 ( 0.000 -5.389 0.220) 5.394 8.002 ( 0.000 -0.084 2.989) 2.991 9.116 ( 0.000 14.291 -10.121) 17.512 9.686 ( 0.000 -4.783 -20.509) 21.060 15.902 ( 0.000 1.116 -0.139) 1.125 16.014 ( 0.000 -1.033 -0.220) 1.056 17.179 ( 0.000 0.302 -4.698) 4.708 17.246 ( 0.000 -1.851 -1.894) 2.648 22.829 ( 0.000 1.656 -0.568) 1.751 22.869 ( 0.000 2.085 -2.447) 3.215 26.278 ( 0.000 -0.174 -0.213) 0.275 26.301 ( 0.000 -1.062 1.464) 1.809 34.047 ( 0.000 5.764 1.658) 5.998 34.683 ( 0.000 -6.430 1.907) 6.707 37.051 ( 0.000 1.183 9.258) 9.334 37.982 ( 0.000 -26.503 26.054) 37.165 ======================= Grid point 181 (62/125) ======================= q-point: ( 0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 20.407 8.003 10.822) 24.446 1.535 ( 17.626 8.422 10.046) 21.966 2.020 ( 7.512 -7.907 -0.861) 10.940 2.192 ( 5.949 1.384 3.607) 7.093 2.338 ( -1.479 2.495 5.565) 6.275 2.373 ( -1.299 3.377 -1.393) 3.877 3.195 ( -2.362 20.639 -7.767) 22.178 3.489 ( 10.987 6.207 1.066) 12.664 3.581 ( -0.931 4.596 -1.410) 4.897 3.856 ( 9.090 -2.108 16.265) 18.752 4.321 ( 1.322 -5.259 13.628) 14.667 4.669 ( -1.281 3.158 22.183) 22.443 5.087 ( 10.738 4.270 -1.048) 11.604 5.391 ( -5.071 -1.871 2.221) 5.844 5.443 ( 3.852 3.807 -5.825) 7.953 5.759 ( 4.201 3.328 11.227) 12.441 5.878 ( 0.098 2.651 -3.851) 4.676 6.151 ( -3.988 8.749 -3.791) 10.336 6.484 ( 7.732 10.020 0.761) 12.680 6.628 ( 2.887 -0.572 4.802) 5.632 6.710 ( 1.987 -9.027 1.901) 9.437 6.917 ( -5.852 -12.918 -1.984) 14.320 7.134 ( -1.077 -3.198 -1.272) 3.607 7.199 ( 0.769 -6.998 0.967) 7.106 7.285 ( -0.047 1.537 -3.516) 3.838 7.458 ( 5.251 -6.156 1.416) 8.214 7.468 ( 3.527 -5.142 0.998) 6.314 8.008 ( 0.670 -0.805 2.918) 3.100 9.072 ( -4.411 13.267 -9.449) 16.875 9.539 ( -13.821 -3.261 -18.121) 23.022 15.948 ( 4.213 0.663 0.049) 4.265 16.058 ( 4.208 -1.565 0.018) 4.490 17.166 ( -1.222 0.409 -4.206) 4.399 17.227 ( -1.618 -1.232 -2.619) 3.316 22.826 ( -0.296 1.659 -0.559) 1.775 22.857 ( -1.056 1.996 -1.620) 2.779 26.263 ( -1.350 -0.216 -0.097) 1.371 26.289 ( -1.116 -1.088 1.469) 2.141 34.261 ( 19.294 3.250 -4.348) 20.043 34.792 ( 10.720 -6.275 0.934) 12.457 37.008 ( -4.095 0.837 9.329) 10.223 37.878 ( -10.053 -23.892 25.243) 36.182 ======================= Grid point 182 (63/125) ======================= q-point: ( 0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 6.782 12.064 12.574) 18.698 2.021 ( 14.332 2.870 6.615) 16.044 2.153 ( 8.600 -2.493 0.062) 8.954 2.293 ( -2.554 1.016 0.821) 2.869 2.378 ( 4.734 0.146 -2.048) 5.160 2.426 ( 15.419 -0.087 2.476) 15.617 3.158 ( -1.417 24.104 -7.391) 25.252 3.419 ( -7.061 9.974 -0.644) 12.237 3.780 ( 7.733 -0.801 15.071) 16.958 4.163 ( 23.536 4.862 14.158) 27.893 4.347 ( 0.387 -10.087 21.494) 23.746 4.678 ( 3.257 7.612 13.683) 15.992 5.253 ( -2.423 -0.212 0.411) 2.466 5.345 ( 6.645 -3.419 -1.002) 7.540 5.590 ( 11.573 4.618 -7.569) 14.579 5.789 ( -2.191 3.679 0.409) 4.302 5.920 ( 4.797 1.519 0.553) 5.062 6.110 ( 0.567 7.922 -2.951) 8.472 6.564 ( 0.317 -1.950 4.163) 4.608 6.677 ( -3.378 -12.102 -1.045) 12.608 6.812 ( 10.255 1.903 -0.858) 10.466 6.853 ( 2.461 2.992 1.397) 4.119 7.117 ( -0.184 -3.284 -3.218) 4.601 7.171 ( -2.585 -4.607 0.363) 5.295 7.325 ( 3.551 -4.669 -2.558) 6.399 7.506 ( 1.919 -4.427 1.354) 5.011 7.574 ( 3.564 -0.134 0.390) 3.588 8.032 ( 1.898 -3.100 3.027) 4.731 8.949 ( -7.935 10.721 -7.494) 15.299 9.206 ( -18.901 -1.604 -14.559) 23.912 16.047 ( 5.600 0.243 0.729) 5.653 16.156 ( 5.148 -2.308 0.944) 5.720 17.140 ( -1.071 0.686 -3.832) 4.038 17.197 ( -1.248 -0.579 -4.050) 4.277 22.818 ( -0.429 1.670 -0.471) 1.787 22.837 ( -0.935 1.634 -0.420) 1.929 26.234 ( -1.411 -0.331 -0.039) 1.449 26.262 ( -1.579 -1.083 1.373) 2.355 34.678 ( 21.118 0.980 -10.908) 23.789 35.063 ( 15.459 -5.624 -3.142) 16.748 36.911 ( -5.118 -0.417 9.821) 11.083 37.623 ( -15.082 -18.599 22.871) 33.113 ======================= Grid point 183 (64/125) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 8.983 10.829 9.724) 17.103 2.128 ( 1.684 3.580 5.820) 7.037 2.205 ( -3.471 0.993 4.455) 5.734 2.247 ( -0.523 0.874 1.796) 2.065 2.582 ( 11.519 -1.127 -2.505) 11.842 2.714 ( 11.117 -0.687 0.029) 11.138 3.142 ( -0.182 24.231 -7.120) 25.256 3.289 ( -5.864 15.682 -2.726) 16.963 3.884 ( 4.694 -1.860 26.184) 26.666 4.275 ( -5.701 -6.248 30.490) 31.641 4.716 ( 26.729 1.505 6.884) 27.642 4.802 ( 9.925 4.571 6.943) 12.946 5.171 ( -3.554 1.000 0.652) 3.749 5.468 ( 5.149 -1.450 -3.101) 6.183 5.697 ( -5.297 3.935 -3.522) 7.480 5.793 ( 4.568 1.971 -4.428) 6.660 6.020 ( 4.740 1.334 -3.503) 6.043 6.207 ( 9.070 0.156 -1.076) 9.135 6.461 ( -10.858 -12.454 -2.851) 16.767 6.594 ( -2.829 -6.664 4.876) 8.728 6.960 ( 5.195 8.314 0.492) 9.816 7.033 ( 8.683 7.905 -1.295) 11.813 7.112 ( 1.504 0.329 -2.734) 3.137 7.206 ( 8.566 -7.414 -0.101) 11.329 7.397 ( 3.626 -8.641 -2.001) 9.582 7.545 ( 2.305 -1.468 -0.560) 2.790 7.581 ( -2.310 4.714 0.031) 5.250 8.069 ( 0.990 -5.024 3.168) 6.021 8.766 ( -10.939 7.224 -5.430) 14.189 8.850 ( -15.797 -0.750 -11.936) 19.814 16.155 ( 5.099 -0.066 1.540) 5.327 16.238 ( 3.014 -2.067 2.042) 4.186 17.132 ( 0.209 0.610 -4.458) 4.504 17.177 ( -0.870 -0.313 -4.712) 4.802 22.811 ( -0.238 1.560 -0.204) 1.591 22.822 ( -0.570 1.334 0.051) 1.452 26.212 ( -0.802 -0.423 0.011) 0.907 26.232 ( -1.353 -0.944 1.062) 1.962 35.048 ( 16.397 0.870 -12.015) 20.347 35.324 ( 9.711 -3.418 -8.162) 13.137 36.840 ( -1.314 -2.979 11.297) 11.756 37.322 ( -15.072 -13.775 19.625) 28.321 ======================= Grid point 184 (65/125) ======================= q-point: ( 0.44 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 9.729 8.378 7.084) 14.663 2.049 ( -8.019 5.557 5.045) 10.984 2.201 ( 1.825 0.948 4.623) 5.060 2.232 ( -1.217 0.389 3.681) 3.896 2.760 ( 6.443 1.263 -0.581) 6.591 2.823 ( 0.505 1.531 0.218) 1.627 3.154 ( 1.443 21.359 -6.028) 22.240 3.199 ( -3.316 18.830 -4.314) 19.601 3.993 ( 6.651 -2.139 30.503) 31.292 4.137 ( -7.722 -3.596 32.003) 33.117 4.936 ( 6.869 1.639 1.087) 7.145 5.036 ( -2.333 -1.362 1.074) 2.907 5.311 ( 19.752 -0.845 0.846) 19.789 5.559 ( -2.957 0.135 -1.190) 3.190 5.587 ( 2.453 4.940 -1.877) 5.826 5.766 ( -7.661 2.270 1.839) 8.199 6.104 ( 4.390 -0.094 -7.326) 8.541 6.233 ( -9.733 -7.281 -5.985) 13.549 6.394 ( 8.152 -6.453 1.629) 10.524 6.523 ( -4.969 -7.420 4.220) 9.877 7.017 ( 1.663 5.682 -1.435) 6.092 7.047 ( -1.525 3.971 -2.274) 4.823 7.280 ( 9.553 5.949 -0.097) 11.254 7.380 ( 3.290 -5.423 -0.515) 6.364 7.450 ( 0.808 -4.488 -0.116) 4.562 7.491 ( -4.530 8.376 -1.020) 9.577 7.703 ( 15.090 -5.091 -2.930) 16.193 7.998 ( -10.534 -5.827 0.210) 12.040 8.578 ( -4.086 2.448 -6.579) 8.122 8.631 ( -7.594 2.731 -5.738) 9.902 16.237 ( 3.036 -0.540 2.185) 3.779 16.268 ( -0.069 -1.265 2.452) 2.760 17.144 ( 0.848 0.246 -4.904) 4.983 17.161 ( -0.846 -0.081 -4.933) 5.006 22.809 ( 0.071 1.382 0.017) 1.384 22.813 ( -0.325 1.283 0.106) 1.328 26.204 ( -0.020 -0.529 0.240) 0.581 26.211 ( -0.744 -0.717 0.628) 1.209 35.307 ( 9.729 0.753 -11.857) 15.356 35.413 ( -0.713 -0.637 -10.886) 10.928 36.881 ( 5.717 -6.481 13.685) 16.186 37.056 ( -11.709 -9.974 16.451) 22.521 ======================= Grid point 189 (66/125) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 10.730 9.386) 14.256 1.662 ( 0.000 -12.737 2.948) 13.073 1.685 ( 0.000 11.477 9.901) 15.157 2.092 ( 0.000 -6.740 -0.257) 6.745 2.440 ( 0.000 3.396 -1.522) 3.722 2.461 ( 0.000 2.771 -0.816) 2.889 3.292 ( 0.000 3.145 -3.928) 5.032 3.521 ( 0.000 -6.867 -1.009) 6.941 3.726 ( 0.000 5.338 20.496) 21.180 3.947 ( 0.000 11.399 7.389) 13.585 4.203 ( 0.000 11.416 10.556) 15.548 4.857 ( 0.000 8.499 10.323) 13.372 5.141 ( 0.000 6.532 1.039) 6.614 5.349 ( 0.000 -4.856 -0.445) 4.876 5.528 ( 0.000 8.912 -5.855) 10.663 5.748 ( 0.000 -1.901 16.945) 17.051 5.865 ( 0.000 -3.637 -5.469) 6.568 6.174 ( 0.000 -28.535 4.740) 28.926 6.395 ( 0.000 6.523 -1.233) 6.639 6.585 ( 0.000 -2.244 4.854) 5.348 6.630 ( 0.000 12.488 -0.166) 12.490 6.920 ( 0.000 4.260 -0.189) 4.264 7.060 ( 0.000 -7.683 -0.494) 7.699 7.116 ( 0.000 0.712 0.553) 0.901 7.213 ( 0.000 -8.363 0.847) 8.406 7.305 ( 0.000 -6.466 0.261) 6.471 7.444 ( 0.000 10.088 -0.096) 10.088 7.902 ( 0.000 -8.852 5.586) 10.467 9.357 ( 0.000 9.366 -13.484) 16.417 9.600 ( 0.000 -3.886 -20.015) 20.388 15.929 ( 0.000 1.423 -0.148) 1.431 15.989 ( 0.000 -1.364 -0.189) 1.377 17.187 ( 0.000 0.492 -4.221) 4.250 17.217 ( 0.000 -1.081 -3.040) 3.227 22.862 ( 0.000 1.564 -0.687) 1.708 22.895 ( 0.000 0.394 -2.079) 2.116 26.276 ( 0.000 -0.020 0.190) 0.192 26.285 ( 0.000 -0.514 0.669) 0.844 34.187 ( 0.000 7.723 1.672) 7.902 34.531 ( 0.000 -8.193 1.812) 8.391 37.113 ( 0.000 5.174 11.714) 12.806 37.544 ( 0.000 -16.835 21.922) 27.640 ======================= Grid point 190 (67/125) ======================= q-point: ( 0.11 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 24.730 6.892 6.387) 26.455 1.730 ( 6.672 10.246 8.456) 14.866 1.833 ( 14.430 -9.201 1.803) 17.209 2.116 ( 2.969 -6.893 0.027) 7.505 2.421 ( -1.613 3.307 -1.406) 3.940 2.442 ( -1.466 2.650 -0.901) 3.159 3.412 ( 10.454 4.513 -2.115) 11.581 3.572 ( 3.131 -1.542 1.254) 3.709 3.734 ( 1.135 4.592 18.208) 18.813 3.987 ( 4.894 3.037 10.946) 12.369 4.229 ( 3.485 15.636 10.223) 19.003 4.852 ( -0.369 8.026 9.624) 12.537 5.183 ( 4.156 5.208 0.846) 6.717 5.338 ( -1.155 -2.497 1.148) 2.981 5.569 ( 4.055 7.440 -5.489) 10.096 5.748 ( 0.411 -4.914 12.230) 13.187 5.896 ( 2.415 -1.327 -4.122) 4.959 6.170 ( -0.167 -24.595 4.176) 24.948 6.344 ( -3.145 4.226 -1.432) 5.459 6.547 ( -3.038 -2.932 3.110) 5.244 6.759 ( 10.073 10.228 0.531) 14.366 6.907 ( -0.156 4.443 -1.442) 4.674 7.076 ( 1.418 -4.685 1.033) 5.003 7.092 ( -1.386 -1.318 -0.693) 2.034 7.276 ( -1.783 -4.092 0.200) 4.468 7.323 ( 8.493 -7.126 0.476) 11.097 7.478 ( 2.815 7.395 0.271) 7.917 7.904 ( 0.209 -8.727 5.108) 10.114 9.293 ( -6.461 8.319 -12.779) 16.561 9.485 ( -11.264 -2.443 -18.571) 21.857 15.967 ( 3.657 1.151 0.104) 3.835 16.025 ( 3.524 -1.575 0.101) 3.861 17.177 ( -0.985 0.582 -4.043) 4.201 17.205 ( -1.007 -0.865 -3.451) 3.697 22.858 ( -0.388 1.468 -0.588) 1.629 22.884 ( -0.968 0.569 -1.583) 1.941 26.260 ( -1.398 0.004 0.312) 1.433 26.273 ( -1.203 -0.586 0.734) 1.526 34.354 ( 15.702 5.759 -1.304) 16.776 34.647 ( 11.376 -7.592 1.074) 13.719 37.063 ( -4.905 4.794 11.507) 13.397 37.472 ( -7.006 -15.937 21.106) 27.360 ======================= Grid point 191 (68/125) ======================= q-point: ( 0.22 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 6.151 9.729 8.467) 14.289 2.041 ( 8.296 -2.652 1.001) 8.767 2.106 ( 17.277 0.151 2.568) 17.467 2.245 ( 7.533 -4.433 0.977) 8.795 2.403 ( 1.529 2.389 -3.194) 4.272 2.455 ( 6.186 0.908 -0.517) 6.274 3.576 ( 0.456 5.605 6.639) 8.700 3.622 ( 6.046 16.646 -1.207) 17.751 3.761 ( 1.773 -0.395 15.827) 15.931 4.122 ( 6.088 -10.002 19.110) 22.412 4.402 ( 15.661 18.496 7.966) 25.511 4.853 ( 0.807 6.155 7.172) 9.486 5.252 ( -0.527 1.337 0.794) 1.642 5.349 ( 5.550 4.253 3.143) 7.666 5.663 ( 4.250 0.271 -3.984) 5.832 5.771 ( 2.089 -7.569 4.968) 9.292 5.934 ( 1.218 0.804 -2.310) 2.732 6.176 ( 0.694 -12.741 3.162) 13.146 6.307 ( -0.669 -2.725 -1.781) 3.323 6.475 ( -3.881 -4.761 0.563) 6.168 6.944 ( 5.823 3.873 -2.043) 7.286 6.967 ( 8.445 7.209 -0.372) 11.110 7.074 ( 0.083 -2.025 -2.564) 3.268 7.109 ( 1.376 -1.662 1.104) 2.424 7.260 ( 1.786 0.254 0.144) 1.809 7.494 ( 6.929 -2.000 0.333) 7.219 7.539 ( 3.917 1.734 0.288) 4.293 7.909 ( 0.314 -8.800 3.815) 9.597 9.117 ( -11.034 5.677 -10.812) 16.458 9.195 ( -17.287 0.198 -15.481) 23.207 16.057 ( 5.238 0.758 0.720) 5.341 16.112 ( 4.902 -1.892 0.848) 5.322 17.156 ( -0.921 0.776 -4.026) 4.202 17.185 ( -0.959 -0.629 -4.187) 4.341 22.849 ( -0.531 1.275 -0.367) 1.429 22.863 ( -1.057 0.797 -0.678) 1.487 26.230 ( -1.530 -0.040 0.395) 1.581 26.244 ( -1.574 -0.671 0.781) 1.881 34.721 ( 19.892 3.286 -5.654) 20.940 34.936 ( 16.824 -6.441 -1.422) 18.071 36.939 ( -7.143 3.494 11.136) 13.684 37.289 ( -11.157 -13.757 19.009) 25.982 ======================= Grid point 192 (69/125) ======================= q-point: ( 0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 6.938 8.176 6.887) 12.744 2.128 ( 3.286 -3.446 1.076) 4.882 2.234 ( -2.226 2.232 3.931) 5.039 2.271 ( -1.492 0.599 0.669) 1.741 2.583 ( 12.862 1.300 -2.320) 13.134 2.683 ( 11.730 -2.223 -1.160) 11.995 3.559 ( -0.793 10.490 7.733) 13.056 3.654 ( -2.012 20.178 1.310) 20.320 3.850 ( 6.427 -0.032 16.117) 17.351 4.170 ( -1.001 -3.949 21.279) 21.665 4.778 ( 19.489 5.059 7.369) 21.441 4.893 ( 3.260 3.082 3.979) 5.997 5.208 ( -1.753 3.537 2.997) 4.957 5.501 ( 7.756 5.522 2.782) 9.919 5.678 ( -2.430 -9.066 -2.150) 9.629 5.833 ( 2.675 0.936 1.053) 3.024 5.953 ( 1.653 -5.487 -0.753) 5.780 6.177 ( -1.425 -6.175 0.366) 6.348 6.297 ( -0.382 -0.309 -2.696) 2.740 6.417 ( -1.893 -7.401 0.314) 7.646 7.034 ( 0.331 -1.527 0.870) 1.789 7.082 ( 1.160 -1.668 -0.308) 2.055 7.154 ( 10.744 3.415 -4.501) 12.139 7.164 ( 7.581 -0.142 -2.314) 7.927 7.377 ( 8.827 8.057 -1.216) 12.013 7.545 ( 0.243 2.965 -0.209) 2.982 7.634 ( 3.194 -0.774 0.136) 3.289 7.914 ( -0.145 -9.865 1.687) 10.010 8.850 ( -16.580 2.338 -11.403) 20.258 8.884 ( -12.374 2.305 -9.001) 15.474 16.157 ( 4.656 0.364 1.397) 4.875 16.199 ( 3.629 -1.684 1.625) 4.317 17.146 ( -0.098 0.681 -4.470) 4.523 17.170 ( -0.637 -0.444 -4.643) 4.708 22.839 ( -0.384 1.113 -0.125) 1.184 22.846 ( -0.663 0.858 -0.085) 1.088 26.206 ( -0.911 -0.160 0.320) 0.979 26.216 ( -1.199 -0.622 0.663) 1.505 35.082 ( 16.223 2.493 -7.260) 17.947 35.241 ( 12.780 -4.504 -4.708) 14.345 36.813 ( -4.978 0.809 11.225) 12.306 37.062 ( -11.399 -11.026 16.414) 22.824 ======================= Grid point 193 (70/125) ======================= q-point: ( 0.44 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 7.112 5.923 5.294) 10.662 2.144 ( -5.926 3.620 4.168) 8.099 2.187 ( 2.727 -1.882 1.082) 3.485 2.236 ( -2.161 -0.398 1.404) 2.608 2.781 ( 6.579 0.961 -0.773) 6.694 2.824 ( 2.403 -0.748 -0.441) 2.555 3.560 ( 1.098 14.160 6.060) 15.441 3.600 ( -2.783 17.132 4.109) 17.836 3.980 ( 6.659 2.154 17.846) 19.169 4.102 ( -5.423 0.452 20.257) 20.975 4.964 ( 3.726 1.083 2.096) 4.411 5.007 ( 1.407 -1.348 2.855) 3.456 5.292 ( 11.725 -0.422 5.110) 12.797 5.513 ( -8.264 -6.530 3.871) 11.221 5.699 ( 6.251 5.393 0.895) 8.304 5.814 ( -4.311 5.098 3.573) 7.572 6.020 ( 4.416 -8.239 -4.477) 10.365 6.109 ( -4.628 -4.760 -5.383) 8.547 6.322 ( 2.670 -1.046 -0.506) 2.912 6.377 ( -2.576 -5.770 0.494) 6.338 7.041 ( 0.666 -2.053 2.327) 3.174 7.061 ( -1.376 -2.488 2.623) 3.869 7.307 ( 6.965 2.366 -4.408) 8.576 7.383 ( 3.442 4.563 -5.208) 7.733 7.527 ( 5.988 4.122 -2.374) 7.648 7.591 ( 5.764 0.077 -0.981) 5.847 7.653 ( 2.349 2.947 -1.042) 3.910 7.850 ( -8.251 -7.720 -1.639) 11.418 8.618 ( -4.851 1.911 -7.983) 9.535 8.670 ( -8.424 0.611 -6.747) 10.810 16.228 ( 2.352 -0.214 1.887) 3.023 16.244 ( 0.796 -0.981 2.003) 2.369 17.150 ( 0.405 0.286 -4.828) 4.854 17.159 ( -0.503 -0.141 -4.865) 4.893 22.835 ( -0.064 0.984 0.061) 0.988 22.837 ( -0.280 0.892 0.102) 0.941 26.195 ( -0.166 -0.300 0.304) 0.458 26.199 ( -0.545 -0.467 0.447) 0.846 35.329 ( 8.526 1.434 -7.486) 11.437 35.394 ( 2.310 -1.255 -6.758) 7.251 36.773 ( 1.362 -3.426 12.259) 12.802 36.867 ( -7.938 -7.724 14.051) 17.891 ======================= Grid point 198 (71/125) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.000 -11.970 6.354) 13.552 1.408 ( 0.000 11.970 6.354) 13.552 1.913 ( 0.000 -10.352 3.500) 10.928 1.913 ( 0.000 10.352 3.500) 10.928 2.482 ( 0.000 -0.688 -2.841) 2.924 2.482 ( 0.000 0.688 -2.841) 2.924 3.386 ( 0.000 -5.874 -2.524) 6.394 3.386 ( 0.000 5.874 -2.524) 6.394 3.844 ( 0.000 -7.381 23.351) 24.490 3.844 ( 0.000 7.381 23.351) 24.490 4.757 ( 0.000 -22.295 -0.858) 22.311 4.757 ( 0.000 22.295 -0.858) 22.311 5.251 ( 0.000 -4.786 0.468) 4.809 5.251 ( 0.000 4.786 0.468) 4.809 5.728 ( 0.000 -9.207 -5.907) 10.939 5.728 ( 0.000 9.207 -5.907) 10.939 5.754 ( 0.000 -8.175 14.907) 17.002 5.754 ( 0.000 8.175 14.907) 17.002 6.518 ( 0.000 -4.655 1.632) 4.933 6.518 ( 0.000 4.655 1.632) 4.933 6.869 ( 0.000 -10.632 -0.302) 10.637 6.869 ( 0.000 10.632 -0.302) 10.637 7.047 ( 0.000 -7.532 -0.270) 7.537 7.047 ( 0.000 7.532 -0.270) 7.537 7.182 ( 0.000 -5.120 0.366) 5.133 7.182 ( 0.000 5.120 0.366) 5.133 7.678 ( 0.000 -11.991 3.981) 12.635 7.678 ( 0.000 11.991 3.981) 12.635 9.508 ( 0.000 -5.574 -17.061) 17.949 9.508 ( 0.000 5.574 -17.061) 17.949 15.959 ( 0.000 -1.504 -0.165) 1.513 15.959 ( 0.000 1.504 -0.165) 1.513 17.199 ( 0.000 -0.702 -3.757) 3.822 17.199 ( 0.000 0.702 -3.757) 3.822 22.889 ( 0.000 -0.900 -1.253) 1.543 22.889 ( 0.000 0.900 -1.253) 1.543 26.278 ( 0.000 -0.226 0.363) 0.427 26.278 ( 0.000 0.226 0.363) 0.427 34.356 ( 0.000 -8.610 1.725) 8.781 34.356 ( 0.000 8.610 1.725) 8.781 37.270 ( 0.000 -10.262 15.954) 18.969 37.270 ( 0.000 10.262 15.954) 18.969 ======================= Grid point 200 (72/125) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 20.423 -8.043 4.239) 22.355 1.654 ( 20.423 8.043 4.239) 22.355 1.941 ( 3.633 -9.841 3.236) 10.978 1.941 ( 3.633 9.841 3.236) 10.978 2.462 ( -1.700 -0.684 -2.633) 3.208 2.462 ( -1.700 0.684 -2.633) 3.208 3.499 ( 9.989 -4.354 -0.484) 10.907 3.499 ( 9.989 4.354 -0.484) 10.907 3.849 ( 0.985 -7.506 22.550) 23.787 3.849 ( 0.985 7.506 22.550) 23.787 4.763 ( 0.826 -20.262 -0.195) 20.279 4.763 ( 0.826 20.262 -0.195) 20.279 5.284 ( 3.226 -3.950 0.057) 5.100 5.284 ( 3.226 3.950 0.057) 5.100 5.658 ( -3.624 -1.116 7.998) 8.851 5.658 ( -3.624 1.116 7.998) 8.851 5.850 ( 6.116 -0.835 0.617) 6.204 5.850 ( 6.116 0.835 0.617) 6.204 6.465 ( -4.262 -5.160 0.367) 6.702 6.465 ( -4.262 5.160 0.367) 6.702 6.926 ( 4.265 -5.539 0.410) 7.003 6.926 ( 4.265 5.539 0.410) 7.003 7.061 ( 0.966 -4.136 -1.227) 4.421 7.061 ( 0.966 4.136 -1.227) 4.421 7.215 ( 4.311 -1.182 0.650) 4.518 7.215 ( 4.311 1.182 0.650) 4.518 7.687 ( 0.744 -11.466 3.612) 12.044 7.687 ( 0.744 11.466 3.612) 12.044 9.420 ( -8.708 -4.336 -16.118) 18.826 9.420 ( -8.708 4.336 -16.118) 18.826 15.994 ( 3.382 -1.452 0.100) 3.682 15.994 ( 3.382 1.452 0.100) 3.682 17.190 ( -0.870 -0.694 -3.861) 4.018 17.190 ( -0.870 0.694 -3.861) 4.018 22.882 ( -0.641 -0.730 -1.012) 1.403 22.882 ( -0.641 0.730 -1.012) 1.403 26.264 ( -1.328 -0.298 0.455) 1.435 26.264 ( -1.328 0.298 0.455) 1.435 34.491 ( 12.979 -7.376 0.402) 14.934 34.491 ( 12.979 7.376 0.402) 14.934 37.211 ( -5.759 -9.812 15.467) 19.201 37.211 ( -5.759 9.812 15.467) 19.201 ======================= Grid point 202 (73/125) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 5.929 -7.471 3.496) 10.158 1.927 ( 5.929 7.471 3.496) 10.158 2.155 ( 15.399 -3.766 1.722) 15.946 2.155 ( 15.399 3.766 1.722) 15.946 2.447 ( 2.148 -1.568 -2.548) 3.683 2.447 ( 2.148 1.568 -2.548) 3.683 3.669 ( 4.977 -3.810 10.031) 11.828 3.669 ( 4.977 3.810 10.031) 11.828 3.923 ( 6.993 -10.053 13.462) 18.198 3.923 ( 6.993 10.053 13.462) 18.198 4.800 ( 3.269 -13.559 1.578) 14.036 4.800 ( 3.269 13.559 1.578) 14.036 5.361 ( 3.618 -9.653 -0.248) 10.312 5.361 ( 3.618 9.653 -0.248) 10.312 5.611 ( -0.098 -7.523 10.370) 12.812 5.611 ( -0.098 7.523 10.370) 12.812 5.964 ( 4.765 -3.237 -2.094) 6.129 5.964 ( 4.765 3.237 -2.094) 6.129 6.384 ( -3.519 -4.465 -1.293) 5.830 6.384 ( -3.519 4.465 -1.293) 5.830 7.011 ( 4.428 -2.906 -3.698) 6.460 7.011 ( 4.428 2.906 -3.698) 6.460 7.067 ( 0.331 -2.749 1.511) 3.154 7.067 ( 0.331 2.749 1.511) 3.154 7.363 ( 9.853 -7.665 0.117) 12.484 7.363 ( 9.853 7.665 0.117) 12.484 7.700 ( 0.369 -10.502 2.556) 10.815 7.700 ( 0.369 10.502 2.556) 10.815 9.188 ( -14.296 -1.489 -13.718) 19.869 9.188 ( -14.296 1.489 -13.718) 19.869 16.079 ( 4.936 -1.337 0.730) 5.165 16.079 ( 4.936 1.337 0.730) 5.165 17.171 ( -0.869 -0.719 -4.163) 4.313 17.171 ( -0.869 0.719 -4.163) 4.313 22.867 ( -0.797 -0.409 -0.514) 1.033 22.867 ( -0.797 0.409 -0.514) 1.033 26.233 ( -1.589 -0.358 0.539) 1.716 26.233 ( -1.589 0.358 0.539) 1.716 34.812 ( 18.299 -5.467 -2.227) 19.228 34.812 ( 18.299 5.467 -2.227) 19.228 37.061 ( -9.034 -8.490 14.256) 18.893 37.061 ( -9.034 8.490 14.256) 18.893 ======================= Grid point 204 (74/125) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 4.820 -6.355 3.169) 8.583 2.025 ( 4.820 6.355 3.169) 8.583 2.267 ( -1.390 -0.918 1.352) 2.145 2.267 ( -1.390 0.918 1.352) 2.145 2.629 ( 12.355 -2.796 -1.790) 12.793 2.629 ( 12.355 2.796 -1.790) 12.793 3.714 ( 0.986 -5.298 18.940) 19.692 3.714 ( 0.986 5.298 18.940) 19.692 4.050 ( 4.352 -9.911 3.706) 11.441 4.050 ( 4.352 9.911 3.706) 11.441 4.891 ( 5.531 -3.749 3.265) 7.437 4.891 ( 5.531 3.749 3.265) 7.437 5.379 ( -1.481 -14.189 5.073) 15.142 5.379 ( -1.481 14.189 5.073) 15.142 5.691 ( 7.391 -10.728 4.536) 13.794 5.691 ( 7.391 10.728 4.536) 13.794 6.013 ( -0.010 -7.361 -0.528) 7.380 6.013 ( -0.010 7.361 -0.528) 7.380 6.334 ( -1.595 -2.387 -3.024) 4.170 6.334 ( -1.595 2.387 -3.024) 4.170 7.031 ( -0.821 -1.694 0.630) 1.985 7.031 ( -0.821 1.694 0.630) 1.985 7.178 ( 9.773 -0.592 -4.675) 10.850 7.178 ( 9.773 0.592 -4.675) 10.850 7.554 ( 8.527 -6.721 0.050) 10.857 7.554 ( 8.527 6.721 0.050) 10.857 7.692 ( -1.217 -10.657 0.518) 10.738 7.692 ( -1.217 10.657 0.518) 10.738 8.893 ( -14.928 -1.306 -10.703) 18.415 8.893 ( -14.928 1.306 -10.703) 18.415 16.171 ( 4.151 -1.011 1.387) 4.491 16.171 ( 4.151 1.011 1.387) 4.491 17.159 ( -0.383 -0.592 -4.551) 4.605 17.159 ( -0.383 0.592 -4.551) 4.605 22.853 ( -0.551 -0.184 -0.104) 0.590 22.853 ( -0.551 0.184 -0.104) 0.590 26.207 ( -1.063 -0.272 0.459) 1.190 26.207 ( -1.063 0.272 0.459) 1.190 35.150 ( 15.089 -4.080 -4.247) 16.198 35.150 ( 15.089 4.080 -4.247) 16.198 36.884 ( -8.410 -6.171 12.922) 16.607 36.884 ( -8.410 6.171 12.922) 16.607 ======================= Grid point 206 (75/125) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 4.582 -4.185 3.031) 6.906 2.118 ( 4.582 4.185 3.031) 6.906 2.209 ( -3.792 -2.146 1.340) 4.559 2.209 ( -3.792 2.146 1.340) 4.559 2.803 ( 4.680 -1.171 -0.733) 4.879 2.803 ( 4.680 1.171 -0.733) 4.879 3.728 ( 0.468 -2.495 21.954) 22.101 3.728 ( 0.468 2.495 21.954) 22.101 4.091 ( 0.523 -4.291 -0.586) 4.362 4.091 ( 0.523 4.291 -0.586) 4.362 4.984 ( 3.041 -0.964 3.092) 4.442 4.984 ( 3.041 0.964 3.092) 4.442 5.344 ( -1.349 -6.561 8.763) 11.029 5.344 ( -1.349 6.561 8.763) 11.029 5.837 ( 6.251 -8.149 0.167) 10.272 5.837 ( 6.251 8.149 0.167) 10.272 5.973 ( -3.408 -8.225 0.888) 8.947 5.973 ( -3.408 8.225 0.888) 8.947 6.317 ( -0.340 -0.610 -3.826) 3.889 6.317 ( -0.340 0.610 -3.826) 3.889 7.018 ( -0.343 -0.618 2.973) 3.056 7.018 ( -0.343 0.618 2.973) 3.056 7.390 ( 10.533 -4.350 -6.217) 12.981 7.390 ( 10.533 4.350 -6.217) 12.981 7.585 ( -5.376 -5.264 -1.054) 7.597 7.585 ( -5.376 5.264 -1.054) 7.597 7.723 ( 3.607 -4.831 -1.457) 6.203 7.723 ( 3.607 4.831 -1.457) 6.203 8.657 ( -7.450 -1.602 -8.026) 11.067 8.657 ( -7.450 1.602 -8.026) 11.067 16.230 ( 1.602 -0.381 1.790) 2.432 16.230 ( 1.602 0.381 1.790) 2.432 17.155 ( -0.070 -0.230 -4.824) 4.829 17.155 ( -0.070 0.230 -4.824) 4.829 22.846 ( -0.185 -0.055 0.093) 0.214 22.846 ( -0.185 0.055 0.093) 0.214 26.193 ( -0.352 -0.098 0.343) 0.501 26.193 ( -0.352 0.098 0.343) 0.501 35.363 ( 5.887 -1.695 -5.180) 8.023 35.363 ( 5.887 1.695 -5.180) 8.023 36.760 ( -3.570 -2.393 12.113) 12.853 36.760 ( -3.570 2.393 12.113) 12.853 ======================= Grid point 243 (76/125) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.000 0.000 13.570) 13.570 1.276 ( 0.000 0.000 21.044) 21.044 2.058 ( 0.000 0.000 -9.244) 9.244 2.215 ( 0.000 0.000 -3.955) 3.955 2.249 ( 0.000 0.000 7.667) 7.667 2.403 ( 0.000 0.000 -13.188) 13.188 2.549 ( 0.000 0.000 6.188) 6.188 3.154 ( 0.000 0.000 -5.691) 5.691 3.578 ( 0.000 0.000 -9.822) 9.822 3.793 ( 0.000 0.000 4.415) 4.415 4.744 ( 0.000 0.000 -0.293) 0.293 4.753 ( 0.000 0.000 36.315) 36.315 5.194 ( 0.000 0.000 2.332) 2.332 5.303 ( 0.000 0.000 -5.008) 5.008 5.634 ( 0.000 0.000 -1.227) 1.227 5.686 ( 0.000 0.000 -2.691) 2.691 5.881 ( 0.000 0.000 -5.580) 5.580 6.002 ( 0.000 0.000 0.136) 0.136 6.166 ( 0.000 0.000 37.100) 37.100 6.754 ( 0.000 0.000 5.571) 5.571 6.791 ( 0.000 0.000 4.790) 4.790 6.935 ( 0.000 0.000 -13.102) 13.102 7.240 ( 0.000 0.000 0.711) 0.711 7.278 ( 0.000 0.000 -0.709) 0.709 7.514 ( 0.000 0.000 -0.374) 0.374 7.554 ( 0.000 0.000 0.300) 0.300 7.714 ( 0.000 0.000 -0.835) 0.835 8.141 ( 0.000 0.000 1.913) 1.913 8.332 ( 0.000 0.000 -7.160) 7.160 9.423 ( 0.000 0.000 -22.625) 22.625 15.875 ( 0.000 0.000 -0.123) 0.123 16.030 ( 0.000 0.000 -0.265) 0.265 17.062 ( 0.000 0.000 -5.134) 5.134 17.304 ( 0.000 0.000 -0.588) 0.588 22.758 ( 0.000 0.000 -0.061) 0.061 22.807 ( 0.000 0.000 0.167) 0.167 26.267 ( 0.000 0.000 -0.707) 0.707 26.388 ( 0.000 0.000 1.870) 1.870 33.956 ( 0.000 0.000 1.432) 1.432 34.863 ( 0.000 0.000 1.811) 1.811 37.206 ( 0.000 0.000 6.631) 6.631 39.007 ( 0.000 0.000 -0.240) 0.240 ======================= Grid point 244 (77/125) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 2.135 0.000 20.321) 20.433 1.480 ( 32.750 0.000 5.309) 33.178 2.131 ( 5.660 0.000 -4.438) 7.193 2.209 ( -0.712 0.000 -3.392) 3.466 2.298 ( 5.948 0.000 3.147) 6.729 2.391 ( -1.244 0.000 -13.406) 13.463 2.520 ( -1.977 0.000 6.255) 6.560 3.327 ( -16.590 0.000 -4.862) 17.287 3.425 ( 25.018 0.000 -0.989) 25.037 4.036 ( 15.879 0.000 -0.289) 15.882 4.714 ( 0.695 0.000 30.348) 30.356 4.960 ( 16.508 0.000 4.206) 17.036 5.173 ( -1.881 0.000 1.863) 2.648 5.306 ( 0.169 0.000 -5.157) 5.160 5.634 ( 0.037 0.000 3.446) 3.446 5.672 ( -1.676 0.000 -2.352) 2.888 5.760 ( -7.339 0.000 -5.420) 9.124 6.077 ( -7.166 0.000 30.770) 31.593 6.165 ( 11.415 0.000 -0.190) 11.416 6.775 ( 2.051 0.000 5.136) 5.530 6.799 ( 0.831 0.000 5.065) 5.133 6.950 ( 1.418 0.000 -13.767) 13.840 7.175 ( -7.480 0.000 0.947) 7.539 7.299 ( 2.094 0.000 -0.685) 2.203 7.479 ( -2.957 0.000 0.230) 2.966 7.499 ( -1.552 0.000 -0.315) 1.584 7.876 ( 11.208 0.000 0.233) 11.211 8.119 ( -2.298 0.000 1.910) 2.988 8.347 ( 1.525 0.000 -6.890) 7.056 9.295 ( -12.314 0.000 -20.582) 23.985 15.932 ( 5.324 0.000 -0.260) 5.330 16.084 ( 5.205 0.000 -0.701) 5.252 17.056 ( -0.509 0.000 -4.889) 4.916 17.261 ( -3.942 0.000 -0.113) 3.944 22.759 ( 0.090 0.000 -0.058) 0.107 22.805 ( -0.215 0.000 0.162) 0.269 26.255 ( -1.094 0.000 -0.624) 1.260 26.373 ( -1.519 0.000 1.765) 2.329 34.101 ( 13.611 0.000 -2.400) 13.821 34.936 ( 6.873 0.000 0.348) 6.882 37.178 ( -2.430 0.000 6.952) 7.364 38.844 ( -15.695 0.000 2.739) 15.932 ======================= Grid point 245 (78/125) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 5.304 0.000 17.989) 18.755 2.095 ( 25.366 0.000 0.363) 25.369 2.184 ( -2.096 0.000 -1.714) 2.708 2.225 ( 5.122 0.000 2.725) 5.802 2.361 ( -1.516 0.000 -13.758) 13.841 2.441 ( 3.549 0.000 -2.947) 4.613 2.552 ( 9.669 0.000 5.069) 10.917 3.004 ( -16.017 0.000 -3.724) 16.444 3.994 ( 29.400 0.000 7.793) 30.416 4.343 ( 15.195 0.000 -0.979) 15.226 4.773 ( 6.016 0.000 34.452) 34.973 5.133 ( -1.980 0.000 0.621) 2.075 5.291 ( 1.157 0.000 2.486) 2.742 5.331 ( 14.035 0.000 -6.122) 15.312 5.610 ( -4.702 0.000 -3.101) 5.633 5.633 ( -5.508 0.000 -4.958) 7.411 5.657 ( 4.025 0.000 11.447) 12.134 5.986 ( 0.790 0.000 12.969) 12.993 6.401 ( 12.234 0.000 0.565) 12.247 6.815 ( 1.311 0.000 4.188) 4.388 6.835 ( 3.337 0.000 5.588) 6.509 6.916 ( -9.717 0.000 -7.918) 12.535 7.054 ( 0.831 0.000 -8.611) 8.651 7.355 ( 2.871 0.000 -0.555) 2.925 7.426 ( -3.124 0.000 4.166) 5.207 7.460 ( -1.778 0.000 -0.121) 1.782 8.052 ( -4.450 0.000 1.863) 4.825 8.078 ( 8.669 0.000 0.557) 8.687 8.384 ( 1.880 0.000 -4.998) 5.340 8.985 ( -18.221 0.000 -18.079) 25.668 16.059 ( 7.119 0.000 0.541) 7.139 16.208 ( 6.568 0.000 -1.321) 6.699 17.046 ( -0.408 0.000 -4.104) 4.124 17.175 ( -4.242 0.000 -0.397) 4.261 22.762 ( 0.189 0.000 -0.045) 0.194 22.799 ( -0.377 0.000 0.145) 0.404 26.232 ( -1.088 0.000 -0.487) 1.192 26.333 ( -2.364 0.000 1.453) 2.775 34.422 ( 17.701 0.000 -7.989) 19.420 35.090 ( 7.640 0.000 -3.451) 8.383 37.136 ( -1.146 0.000 7.952) 8.034 38.452 ( -22.812 0.000 7.638) 24.057 ======================= Grid point 246 (79/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 9.031 0.000 14.059) 16.710 2.107 ( -6.286 0.000 0.346) 6.295 2.273 ( 3.240 0.000 6.240) 7.031 2.350 ( 0.801 0.000 -12.388) 12.414 2.371 ( 1.066 0.000 3.749) 3.898 2.611 ( 14.313 0.000 -3.619) 14.764 2.718 ( -12.852 0.000 -4.157) 13.507 2.780 ( 10.095 0.000 0.453) 10.105 4.448 ( 15.998 0.000 19.315) 25.079 4.624 ( 13.412 0.000 -1.099) 13.456 4.940 ( 6.515 0.000 24.142) 25.005 5.094 ( -2.273 0.000 -0.836) 2.422 5.268 ( 2.510 0.000 20.620) 20.773 5.514 ( -4.469 0.000 -4.652) 6.451 5.528 ( -5.245 0.000 -3.353) 6.225 5.532 ( 7.369 0.000 1.588) 7.538 5.753 ( 3.862 0.000 -8.739) 9.554 6.214 ( 20.059 0.000 2.465) 20.210 6.623 ( 9.931 0.000 1.507) 10.045 6.662 ( -14.788 0.000 -8.275) 16.946 6.833 ( 0.440 0.000 4.639) 4.660 6.916 ( 5.076 0.000 4.047) 6.492 7.071 ( -3.704 0.000 -0.280) 3.714 7.329 ( -5.115 0.000 -0.009) 5.115 7.423 ( 6.541 0.000 -4.510) 7.945 7.509 ( 6.305 0.000 0.087) 6.305 7.947 ( -6.313 0.000 1.683) 6.534 8.201 ( 3.379 0.000 2.013) 3.934 8.400 ( -0.786 0.000 -1.055) 1.315 8.620 ( -17.807 0.000 -18.668) 25.799 16.195 ( 6.440 0.000 1.660) 6.651 16.313 ( 3.682 0.000 -0.484) 3.714 17.044 ( 0.201 0.000 -3.223) 3.230 17.108 ( -2.457 0.000 -2.233) 3.320 22.767 ( 0.296 0.000 -0.019) 0.296 22.791 ( -0.459 0.000 0.113) 0.473 26.217 ( -0.306 0.000 -0.273) 0.410 26.286 ( -2.357 0.000 1.007) 2.563 34.752 ( 15.413 0.000 -10.619) 18.716 35.192 ( 2.081 0.000 -7.481) 7.765 37.163 ( 4.490 0.000 9.361) 10.382 38.003 ( -22.230 0.000 10.295) 24.498 ======================= Grid point 247 (80/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 11.516 0.000 9.144) 14.705 1.936 ( -10.757 0.000 4.047) 11.493 2.327 ( 2.254 0.000 5.560) 6.000 2.361 ( -1.250 0.000 4.752) 4.914 2.397 ( 4.094 0.000 -9.565) 10.404 2.514 ( -8.012 0.000 -6.611) 10.387 2.830 ( 7.417 0.000 -0.666) 7.446 2.893 ( 1.172 0.000 0.326) 1.216 4.687 ( 10.388 0.000 26.198) 28.182 4.860 ( 10.494 0.000 -1.248) 10.568 4.880 ( -8.841 0.000 24.441) 25.991 5.022 ( -5.785 0.000 -1.463) 5.967 5.441 ( 9.968 0.000 9.901) 14.050 5.447 ( -2.037 0.000 -3.208) 3.800 5.450 ( -2.263 0.000 -4.901) 5.398 5.581 ( -3.627 0.000 3.232) 4.858 5.959 ( 18.194 0.000 -8.476) 20.071 6.338 ( -18.491 0.000 -6.657) 19.653 6.597 ( 17.431 0.000 0.441) 17.436 6.768 ( 4.819 0.000 3.264) 5.820 6.825 ( -1.421 0.000 4.367) 4.592 6.892 ( -12.833 0.000 3.475) 13.295 7.043 ( 7.791 0.000 1.956) 8.033 7.200 ( -7.688 0.000 0.631) 7.714 7.654 ( 7.996 0.000 0.691) 8.026 7.698 ( 19.242 0.000 -10.474) 21.909 7.809 ( -7.655 0.000 1.288) 7.762 8.084 ( -17.379 0.000 -6.127) 18.428 8.368 ( 0.825 0.000 -2.787) 2.907 8.416 ( -3.636 0.000 -6.439) 7.395 16.299 ( 4.006 0.000 1.945) 4.453 16.344 ( -0.451 0.000 1.100) 1.189 17.054 ( 0.816 0.000 -3.245) 3.346 17.074 ( -1.261 0.000 -3.391) 3.618 22.773 ( 0.394 0.000 0.021) 0.395 22.782 ( -0.458 0.000 0.069) 0.463 26.221 ( 0.722 0.000 0.080) 0.726 26.245 ( -1.701 0.000 0.527) 1.780 35.009 ( 10.705 0.000 -11.070) 15.399 35.164 ( -4.876 0.000 -10.059) 11.178 37.320 ( 11.536 0.000 10.460) 15.572 37.608 ( -17.738 0.000 10.886) 20.812 ======================= Grid point 252 (81/125) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 0.000 3.292 12.631) 13.054 1.486 ( 0.000 15.544 18.719) 24.331 2.009 ( 0.000 -4.566 -7.176) 8.505 2.201 ( 0.000 -0.837 0.208) 0.863 2.277 ( 0.000 1.968 0.698) 2.088 2.519 ( 0.000 -2.375 3.652) 4.356 2.573 ( 0.000 17.591 -9.501) 19.993 3.148 ( 0.000 -0.331 -5.449) 5.459 3.669 ( 0.000 8.157 -7.576) 11.133 3.766 ( 0.000 -2.983 3.142) 4.333 4.737 ( 0.000 -1.976 31.424) 31.486 4.806 ( 0.000 6.042 -0.211) 6.045 5.166 ( 0.000 -2.579 8.879) 9.246 5.299 ( 0.000 -0.203 -4.514) 4.519 5.544 ( 0.000 -5.612 -0.587) 5.643 5.735 ( 0.000 2.750 -3.873) 4.750 5.936 ( 0.000 5.721 -2.540) 6.260 6.124 ( 0.000 10.236 0.192) 10.238 6.175 ( 0.000 1.454 31.236) 31.269 6.738 ( 0.000 -2.254 1.138) 2.525 6.791 ( 0.000 0.684 5.011) 5.057 6.990 ( 0.000 4.846 -9.715) 10.857 7.201 ( 0.000 -3.122 0.282) 3.135 7.264 ( 0.000 -1.797 -0.274) 1.818 7.381 ( 0.000 -14.206 -0.201) 14.207 7.523 ( 0.000 -2.998 0.283) 3.011 7.744 ( 0.000 -6.585 2.023) 6.889 7.914 ( 0.000 -0.282 1.325) 1.354 8.618 ( 0.000 15.188 -9.097) 17.704 9.364 ( 0.000 -5.179 -22.198) 22.794 15.881 ( 0.000 0.612 -0.125) 0.624 16.025 ( 0.000 -0.536 -0.254) 0.593 17.067 ( 0.000 0.497 -4.957) 4.982 17.277 ( 0.000 -2.329 -0.478) 2.378 22.776 ( 0.000 1.560 -0.467) 1.629 22.818 ( 0.000 1.005 0.014) 1.005 26.268 ( 0.000 0.115 -0.595) 0.606 26.371 ( 0.000 -1.472 1.947) 2.441 33.987 ( 0.000 3.061 1.429) 3.378 34.826 ( 0.000 -3.593 1.784) 4.011 37.204 ( 0.000 0.140 6.948) 6.949 38.802 ( 0.000 -18.293 5.107) 18.993 ======================= Grid point 253 (82/125) ======================= q-point: ( 0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 16.078 6.837 13.284) 21.947 1.540 ( 16.673 9.658 10.119) 21.763 2.090 ( 6.312 -3.580 -4.005) 8.288 2.222 ( 1.837 0.504 -3.186) 3.712 2.292 ( 2.843 -0.039 1.629) 3.277 2.493 ( -1.742 -2.142 5.971) 6.578 2.551 ( -1.581 16.381 -11.981) 20.357 3.402 ( -8.977 5.569 -3.192) 11.036 3.433 ( 19.319 1.876 -1.593) 19.475 4.044 ( 16.611 0.444 0.397) 16.621 4.716 ( 0.173 -0.272 28.067) 28.069 4.977 ( 14.373 1.781 0.193) 14.484 5.149 ( -1.264 -1.900 10.204) 10.456 5.304 ( 0.477 0.026 -4.941) 4.964 5.520 ( -2.678 -5.825 2.304) 6.812 5.723 ( -1.451 2.795 -3.545) 4.742 5.868 ( -3.423 7.815 -3.788) 9.335 6.096 ( -5.994 2.703 27.298) 28.078 6.269 ( 10.651 8.978 0.154) 13.931 6.755 ( 1.677 -2.512 1.283) 3.282 6.805 ( 1.538 0.860 5.079) 5.376 6.991 ( 0.161 3.786 -10.037) 10.728 7.112 ( -9.779 -6.832 -0.322) 11.933 7.257 ( 2.408 -3.804 -1.020) 4.616 7.392 ( 0.791 -5.625 -0.379) 5.693 7.560 ( 0.411 0.907 3.344) 3.489 7.773 ( 2.595 -15.117 1.854) 15.450 7.953 ( 4.394 1.831 0.381) 4.776 8.605 ( -1.177 14.130 -8.834) 16.706 9.242 ( -11.745 -4.569 -20.240) 23.842 15.936 ( 5.113 0.365 -0.192) 5.130 16.076 ( 4.924 -0.800 -0.554) 5.019 17.061 ( -0.534 0.471 -4.738) 4.792 17.240 ( -3.437 -1.838 -0.217) 3.904 22.776 ( -0.014 1.477 -0.377) 1.525 22.815 ( -0.249 0.967 0.048) 1.000 26.256 ( -1.135 0.081 -0.516) 1.249 26.357 ( -1.415 -1.387 1.827) 2.695 34.129 ( 13.339 2.729 -2.015) 13.764 34.903 ( 7.358 -3.173 0.485) 8.028 37.173 ( -2.834 -0.224 7.196) 7.737 38.659 ( -13.807 -16.581 6.860) 22.641 ======================= Grid point 254 (83/125) ======================= q-point: ( 0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 4.428 13.708 16.465) 21.877 2.088 ( 23.471 -0.502 0.494) 23.482 2.175 ( 3.006 -0.977 -0.797) 3.260 2.242 ( 1.310 1.877 0.292) 2.307 2.405 ( 3.824 -2.971 -2.646) 5.519 2.521 ( -1.113 15.707 -10.474) 18.911 2.528 ( 8.994 -1.765 3.260) 9.728 3.122 ( -13.697 10.483 -3.738) 17.649 3.994 ( 28.504 0.072 7.731) 29.533 4.370 ( 16.686 2.038 1.238) 16.855 4.762 ( 4.976 -1.133 28.564) 29.016 5.103 ( -1.223 -3.141 7.469) 8.194 5.280 ( 3.899 -1.003 2.101) 4.541 5.352 ( 10.476 2.169 -6.242) 12.386 5.450 ( -1.970 -6.111 3.758) 7.440 5.669 ( -4.001 3.411 -3.287) 6.200 5.853 ( 0.833 10.114 -0.039) 10.148 6.004 ( -0.147 2.179 13.479) 13.655 6.494 ( 11.665 8.353 0.761) 14.368 6.781 ( -1.893 -4.743 0.031) 5.107 6.849 ( 2.529 1.457 5.315) 6.064 6.899 ( -6.817 -1.941 -2.944) 7.675 7.027 ( 2.325 -1.563 -9.836) 10.227 7.328 ( 4.214 -2.867 -0.737) 5.150 7.376 ( -2.365 -4.270 4.350) 6.538 7.521 ( -3.462 4.703 1.334) 5.990 7.803 ( -0.041 -16.188 2.395) 16.364 8.076 ( 7.024 -0.201 0.314) 7.034 8.574 ( -2.061 11.218 -7.539) 13.672 8.944 ( -17.699 -3.426 -17.415) 25.066 16.059 ( 6.949 0.012 0.547) 6.971 16.194 ( 6.346 -1.306 -0.975) 6.551 17.050 ( -0.455 0.402 -4.036) 4.081 17.164 ( -3.756 -0.923 -0.695) 3.930 22.776 ( 0.068 1.295 -0.206) 1.313 22.809 ( -0.403 0.905 0.096) 0.995 26.231 ( -1.165 -0.027 -0.396) 1.230 26.320 ( -2.208 -1.172 1.489) 2.910 34.447 ( 17.640 2.389 -7.197) 19.201 35.072 ( 8.636 -1.809 -2.987) 9.316 37.118 ( -1.988 -1.392 8.026) 8.384 38.309 ( -20.639 -13.015 9.713) 26.263 ======================= Grid point 255 (84/125) ======================= q-point: ( 0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 7.509 12.097 12.910) 19.219 2.139 ( -4.199 2.291 0.472) 4.807 2.262 ( 2.443 -0.360 4.262) 4.926 2.355 ( 0.861 -1.220 4.038) 4.305 2.509 ( 0.425 15.587 -10.406) 18.746 2.562 ( 11.918 -2.653 -3.559) 12.717 2.755 ( 10.083 -1.062 -0.097) 10.139 2.892 ( -8.610 13.179 -3.982) 16.238 4.423 ( 15.149 -2.405 19.085) 24.485 4.678 ( 13.356 4.573 0.647) 14.132 4.898 ( 4.903 -3.329 19.386) 20.271 5.116 ( 3.431 0.232 6.801) 7.621 5.216 ( -3.923 -3.840 15.223) 16.182 5.438 ( 4.160 -1.421 -0.922) 4.492 5.548 ( -2.279 1.917 -4.198) 5.147 5.622 ( 4.935 3.886 -4.780) 7.893 5.827 ( -1.876 6.405 -3.245) 7.422 6.207 ( 17.645 -0.182 2.728) 17.855 6.581 ( -13.536 -7.016 -7.188) 16.856 6.698 ( 7.475 5.336 3.183) 9.720 6.869 ( 0.581 2.907 2.970) 4.197 6.947 ( 5.984 3.102 3.457) 7.575 7.066 ( -1.638 -0.171 -1.193) 2.033 7.356 ( 5.599 -5.685 -0.975) 8.039 7.400 ( -1.536 4.138 -2.021) 4.855 7.473 ( 2.487 -1.855 -1.034) 3.271 7.772 ( -2.981 -12.719 2.322) 13.268 8.184 ( 2.720 -1.996 1.529) 3.704 8.522 ( -3.539 8.069 -3.512) 9.486 8.588 ( -17.170 -2.554 -17.767) 24.839 16.191 ( 6.269 -0.296 1.575) 6.471 16.297 ( 3.772 -1.423 -0.246) 4.039 17.047 ( 0.123 0.285 -3.262) 3.276 17.105 ( -2.227 -0.298 -2.404) 3.291 22.779 ( 0.205 1.119 -0.070) 1.140 22.800 ( -0.456 0.882 0.105) 0.998 26.215 ( -0.402 -0.186 -0.219) 0.494 26.276 ( -2.191 -0.894 1.021) 2.577 34.777 ( 15.476 2.417 -9.739) 18.445 35.195 ( 3.128 0.202 -6.794) 7.483 37.126 ( 3.436 -3.256 9.312) 10.446 37.898 ( -20.577 -9.709 11.085) 25.309 ======================= Grid point 256 (85/125) ======================= q-point: ( 0.44 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 9.439 9.392 8.412) 15.750 2.012 ( -8.381 5.839 3.824) 10.907 2.308 ( 2.193 -1.122 4.304) 4.959 2.343 ( -1.313 -1.372 4.386) 4.779 2.544 ( 3.148 14.095 -7.990) 16.505 2.625 ( -4.268 9.319 -4.889) 11.356 2.850 ( 4.426 3.384 -1.731) 5.834 2.889 ( 1.640 -0.000 -0.374) 1.682 4.657 ( 10.256 -3.059 26.051) 28.164 4.833 ( -5.656 -3.556 22.783) 23.742 4.905 ( 6.941 3.115 2.111) 7.895 5.046 ( -6.371 1.774 0.366) 6.624 5.323 ( 6.680 -4.753 -1.589) 8.351 5.431 ( -5.155 0.026 -4.486) 6.834 5.577 ( 6.322 6.756 5.980) 11.017 5.678 ( -2.918 7.229 3.804) 8.674 5.933 ( 15.372 -2.259 -9.726) 18.330 6.277 ( -17.328 -5.633 -6.083) 19.210 6.544 ( 15.109 -4.229 2.599) 15.904 6.754 ( -4.124 -3.655 6.105) 8.224 6.875 ( 1.181 5.531 1.841) 5.948 6.938 ( -5.706 5.182 3.432) 8.438 7.117 ( 8.683 6.457 0.492) 10.832 7.283 ( -7.744 7.258 -0.198) 10.616 7.568 ( 6.943 -7.689 0.781) 10.389 7.635 ( 12.106 -7.786 -7.861) 16.401 7.707 ( 1.598 -6.308 -1.291) 6.634 8.048 ( -17.676 -3.823 -7.163) 19.452 8.401 ( 0.294 1.864 -5.626) 5.934 8.456 ( -3.753 3.599 -4.022) 6.574 16.292 ( 3.788 -0.646 1.854) 4.267 16.332 ( -0.202 -1.083 1.116) 1.568 17.055 ( 0.725 0.122 -3.294) 3.375 17.074 ( -1.169 -0.042 -3.435) 3.628 22.784 ( 0.336 0.991 0.018) 1.047 22.792 ( -0.427 0.912 0.076) 1.010 26.217 ( 0.604 -0.379 0.097) 0.720 26.239 ( -1.553 -0.616 0.530) 1.753 35.035 ( 10.604 2.403 -10.216) 14.919 35.183 ( -4.322 1.786 -9.268) 10.381 37.263 ( 10.518 -5.247 10.443) 15.723 37.530 ( -16.559 -7.235 11.095) 21.204 ======================= Grid point 261 (86/125) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 6.025 10.413) 12.030 1.749 ( 0.000 9.314 14.844) 17.524 1.882 ( 0.000 -7.491 -2.590) 7.926 2.176 ( 0.000 -1.968 0.275) 1.987 2.322 ( 0.000 2.385 -2.816) 3.690 2.469 ( 0.000 -2.049 1.096) 2.324 3.137 ( 0.000 35.550 -5.482) 35.970 3.155 ( 0.000 1.309 -4.829) 5.004 3.664 ( 0.000 -6.844 0.893) 6.902 3.868 ( 0.000 10.190 -1.019) 10.241 4.643 ( 0.000 -7.484 19.011) 20.431 4.980 ( 0.000 10.176 0.272) 10.179 5.134 ( 0.000 0.511 20.792) 20.798 5.310 ( 0.000 1.799 -4.383) 4.738 5.436 ( 0.000 -4.759 -0.268) 4.766 5.779 ( 0.000 1.002 -4.858) 4.961 6.109 ( 0.000 9.956 2.962) 10.387 6.210 ( 0.000 0.860 20.261) 20.280 6.368 ( 0.000 12.759 0.067) 12.759 6.660 ( 0.000 -6.988 -1.066) 7.069 6.792 ( 0.000 -3.352 6.167) 7.020 6.972 ( 0.000 -14.453 -1.611) 14.543 7.135 ( 0.000 -2.915 0.004) 2.915 7.155 ( 0.000 7.971 -7.257) 10.779 7.197 ( 0.000 -4.659 0.066) 4.660 7.435 ( 0.000 -5.393 0.252) 5.399 7.523 ( 0.000 -10.963 10.091) 14.900 8.026 ( 0.000 3.254 0.180) 3.259 8.877 ( 0.000 10.075 -14.954) 18.031 9.252 ( 0.000 -4.558 -20.571) 21.070 15.899 ( 0.000 1.109 -0.131) 1.116 16.009 ( 0.000 -1.001 -0.226) 1.027 17.082 ( 0.000 0.899 -4.464) 4.553 17.222 ( 0.000 -2.794 -0.770) 2.898 22.813 ( 0.000 1.870 -0.780) 2.026 22.844 ( 0.000 1.351 -0.488) 1.436 26.272 ( 0.000 0.246 -0.284) 0.376 26.337 ( 0.000 -1.673 1.801) 2.458 34.079 ( 0.000 5.770 1.432) 5.945 34.720 ( 0.000 -6.521 1.710) 6.742 37.229 ( 0.000 2.716 7.887) 8.341 38.354 ( 0.000 -23.317 12.107) 26.273 ======================= Grid point 262 (87/125) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 26.196 3.624 6.077) 27.135 1.768 ( 2.793 9.015 13.096) 16.142 1.993 ( 9.481 -5.658 -1.700) 11.171 2.204 ( 3.408 -2.331 -0.859) 4.218 2.315 ( -0.648 2.072 -2.101) 3.021 2.449 ( -1.207 -1.802 1.763) 2.795 3.041 ( -2.585 26.935 -6.692) 27.874 3.487 ( 22.227 8.116 -0.238) 23.664 3.549 ( -5.964 5.113 -1.878) 8.077 4.054 ( 14.875 1.193 3.027) 15.227 4.653 ( 1.283 -6.582 18.581) 19.754 5.034 ( 3.011 3.691 2.238) 5.263 5.157 ( 4.163 3.484 18.170) 18.964 5.326 ( 1.865 2.774 -5.354) 6.312 5.425 ( -1.228 -3.537 1.574) 4.062 5.774 ( -0.690 1.649 -4.846) 5.165 6.054 ( -3.109 9.688 0.230) 10.177 6.159 ( -4.471 1.865 19.131) 19.735 6.496 ( 10.179 12.300 0.434) 15.971 6.672 ( 1.630 -6.716 -1.146) 7.006 6.774 ( -3.314 -10.830 3.343) 11.809 6.891 ( -4.219 -5.288 -0.279) 6.771 7.086 ( -2.843 3.082 -3.922) 5.741 7.200 ( 3.659 1.240 -2.598) 4.656 7.258 ( 2.231 -6.836 2.624) 7.655 7.483 ( 3.785 -7.253 0.495) 8.196 7.533 ( 1.703 -7.488 7.387) 10.655 8.031 ( 0.675 1.910 0.092) 2.028 8.841 ( -3.579 8.769 -15.221) 17.927 9.149 ( -10.022 -3.378 -18.249) 21.092 15.948 ( 4.602 0.777 -0.072) 4.668 16.054 ( 4.335 -1.304 -0.283) 4.536 17.075 ( -0.614 0.844 -4.317) 4.441 17.196 ( -2.423 -2.256 -0.806) 3.407 22.812 ( -0.138 1.836 -0.659) 1.955 22.840 ( -0.331 1.311 -0.334) 1.393 26.259 ( -1.221 0.210 -0.218) 1.258 26.324 ( -1.268 -1.630 1.698) 2.673 34.212 ( 12.650 5.272 -1.108) 13.749 34.809 ( 8.510 -5.928 0.765) 10.399 37.188 ( -3.888 2.141 7.968) 9.121 38.247 ( -10.464 -21.758 12.341) 27.115 ======================= Grid point 263 (88/125) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 4.173 9.125 12.955) 16.386 2.080 ( 18.905 -0.210 0.600) 18.915 2.150 ( 8.343 -1.233 -0.112) 8.434 2.293 ( 0.074 2.814 -1.228) 3.072 2.329 ( 4.928 -4.095 -1.864) 6.673 2.484 ( 8.105 -2.155 1.842) 8.587 3.006 ( -1.314 29.201 -6.994) 30.056 3.380 ( -8.246 13.354 -2.537) 15.899 4.001 ( 23.760 0.831 8.007) 25.087 4.397 ( 20.057 0.349 5.421) 20.780 4.706 ( 4.443 -4.924 17.795) 18.991 5.038 ( -1.335 -1.602 12.095) 12.273 5.267 ( 2.097 -0.216 4.192) 4.693 5.377 ( 0.660 0.972 -0.174) 1.188 5.450 ( 9.077 5.245 -0.184) 10.484 5.743 ( -2.595 3.401 -4.590) 6.274 6.050 ( 1.072 9.089 -2.278) 9.431 6.060 ( -2.575 1.553 12.837) 13.185 6.614 ( -9.932 -11.274 -2.048) 15.163 6.675 ( 5.858 2.378 3.557) 7.254 6.779 ( 9.154 -2.450 -2.915) 9.914 6.900 ( 4.489 2.241 2.159) 5.462 7.041 ( -1.761 2.355 -3.700) 4.726 7.243 ( -1.564 -5.191 4.910) 7.314 7.283 ( 3.067 -3.136 0.263) 4.394 7.526 ( 1.032 -8.291 0.783) 8.392 7.592 ( 2.256 -0.190 1.826) 2.909 8.060 ( 2.381 -2.320 0.252) 3.334 8.739 ( -7.076 4.296 -17.266) 19.148 8.897 ( -14.391 0.304 -11.644) 18.514 16.061 ( 6.496 0.229 0.541) 6.523 16.160 ( 5.870 -1.885 -0.321) 6.173 17.062 ( -0.596 0.700 -3.844) 3.953 17.142 ( -2.740 -1.209 -1.466) 3.334 22.809 ( -0.122 1.724 -0.384) 1.770 22.832 ( -0.463 1.246 -0.082) 1.332 26.232 ( -1.350 0.069 -0.138) 1.359 26.292 ( -1.934 -1.473 1.394) 2.802 34.519 ( 17.415 4.671 -5.232) 18.775 35.014 ( 11.140 -3.960 -1.910) 11.977 37.100 ( -4.307 0.221 8.363) 9.409 37.975 ( -16.417 -18.192 12.503) 27.510 ======================= Grid point 264 (89/125) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 5.694 8.599 9.836) 14.252 2.171 ( 0.015 0.550 0.309) 0.631 2.266 ( -0.034 0.689 2.492) 2.585 2.324 ( 0.095 -1.643 3.338) 3.721 2.525 ( 14.364 -0.608 -2.809) 14.649 2.716 ( 11.022 -2.177 -0.036) 11.235 2.990 ( 0.001 29.089 -7.248) 29.979 3.230 ( -6.903 18.667 -2.928) 20.117 4.345 ( 12.528 -5.431 18.121) 22.690 4.733 ( 7.457 -3.342 9.923) 12.854 4.856 ( 10.609 2.017 11.836) 16.022 5.039 ( 4.742 -4.779 10.176) 12.202 5.206 ( -5.181 1.456 2.779) 6.057 5.469 ( 8.237 4.013 2.188) 9.420 5.604 ( 1.091 3.518 -0.135) 3.686 5.708 ( 2.628 4.774 -6.220) 8.270 5.960 ( -4.358 4.834 0.304) 6.516 6.212 ( 11.026 0.175 2.020) 11.210 6.397 ( -11.671 -9.168 -3.377) 15.221 6.724 ( -1.079 -5.487 7.774) 9.576 6.970 ( 5.528 6.915 0.170) 8.854 7.042 ( 5.708 1.702 -1.841) 6.235 7.059 ( 9.311 2.365 -0.976) 9.656 7.214 ( 1.933 -4.541 2.750) 5.650 7.349 ( 3.342 -6.101 -2.118) 7.271 7.531 ( -0.775 -3.078 -0.842) 3.284 7.584 ( -2.584 2.093 0.187) 3.331 8.098 ( -0.420 -6.829 -0.480) 6.859 8.537 ( -12.164 -0.806 -18.273) 21.966 8.666 ( -8.543 4.776 -4.600) 10.814 16.185 ( 5.821 -0.278 1.358) 5.983 16.260 ( 3.987 -1.998 0.226) 4.466 17.055 ( -0.090 0.483 -3.350) 3.386 17.097 ( -1.717 -0.447 -2.795) 3.310 22.808 ( 0.027 1.563 -0.128) 1.568 22.823 ( -0.445 1.232 0.060) 1.311 26.211 ( -0.647 -0.171 -0.056) 0.671 26.253 ( -1.843 -1.184 0.952) 2.388 34.849 ( 15.526 4.541 -7.494) 17.828 35.193 ( 6.131 -0.653 -5.080) 7.989 37.053 ( 0.255 -3.196 9.240) 9.780 37.641 ( -16.975 -14.349 12.056) 25.287 ======================= Grid point 265 (90/125) ======================= q-point: ( 0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 6.372 6.819 6.074) 11.136 2.119 ( -4.754 4.203 2.216) 6.721 2.283 ( 1.490 -1.340 3.866) 4.354 2.311 ( -1.156 -1.713 3.689) 4.229 2.743 ( 7.742 1.805 -0.994) 8.011 2.824 ( -0.132 2.246 -0.135) 2.253 3.028 ( 3.815 23.613 -5.976) 24.654 3.114 ( -4.982 21.036 -3.897) 21.966 4.552 ( 9.537 -7.339 22.865) 25.838 4.717 ( -6.491 -7.952 23.306) 25.467 4.976 ( 4.948 3.166 2.898) 6.550 5.073 ( -4.752 0.799 2.988) 5.670 5.285 ( 11.164 1.377 -3.396) 11.749 5.470 ( -7.652 3.437 -5.265) 9.903 5.726 ( 10.498 7.464 12.605) 18.022 5.807 ( 3.898 3.153 0.153) 5.016 5.903 ( 1.659 1.278 -10.571) 10.776 6.126 ( -14.307 -8.125 -3.003) 16.725 6.454 ( 11.006 -4.234 5.094) 12.845 6.637 ( -7.338 -7.277 7.843) 12.974 7.016 ( 2.069 6.823 1.229) 7.235 7.060 ( -2.144 5.851 2.978) 6.906 7.273 ( 9.816 6.578 -0.523) 11.828 7.374 ( 4.279 -8.224 -0.353) 9.277 7.420 ( 3.803 -8.906 -3.147) 10.183 7.465 ( -5.109 7.627 -1.492) 9.301 7.603 ( 10.411 -4.346 -6.617) 13.079 7.930 ( -16.561 -7.338 -8.108) 19.846 8.428 ( 1.739 0.860 -7.107) 7.367 8.522 ( -6.512 2.061 -4.612) 8.241 16.276 ( 3.236 -0.840 1.627) 3.718 16.305 ( 0.400 -1.503 1.137) 1.926 17.059 ( 0.476 0.203 -3.422) 3.461 17.072 ( -0.927 -0.080 -3.538) 3.659 22.810 ( 0.204 1.407 0.026) 1.422 22.815 ( -0.350 1.290 0.087) 1.339 26.208 ( 0.310 -0.474 0.144) 0.585 26.223 ( -1.210 -0.824 0.497) 1.546 35.104 ( 10.106 4.184 -8.026) 13.567 35.230 ( -2.470 2.560 -7.249) 8.075 37.127 ( 7.481 -7.222 10.289) 14.628 37.337 ( -13.569 -10.835 11.225) 20.676 ======================= Grid point 270 (91/125) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.000 7.969 7.887) 11.212 1.713 ( 0.000 -8.841 1.896) 9.042 1.898 ( 0.000 6.093 10.954) 12.535 2.113 ( 0.000 -4.133 2.202) 4.683 2.372 ( 0.000 2.313 -4.056) 4.669 2.438 ( 0.000 -1.175 -2.637) 2.887 3.212 ( 0.000 4.430 -3.786) 5.828 3.501 ( 0.000 -8.492 -0.924) 8.542 3.916 ( 0.000 36.353 0.104) 36.354 4.065 ( 0.000 9.653 6.224) 11.485 4.470 ( 0.000 -7.250 12.447) 14.405 5.125 ( 0.000 -5.743 14.207) 15.324 5.168 ( 0.000 6.818 1.793) 7.050 5.347 ( 0.000 -3.997 0.312) 4.009 5.405 ( 0.000 8.091 -6.099) 10.132 5.750 ( 0.000 -4.288 -5.613) 7.064 6.126 ( 0.000 -6.104 18.764) 19.731 6.301 ( 0.000 -6.512 6.389) 9.123 6.385 ( 0.000 -0.068 2.250) 2.251 6.628 ( 0.000 12.362 -0.062) 12.362 6.673 ( 0.000 -4.835 3.416) 5.920 6.947 ( 0.000 5.323 3.000) 6.110 7.052 ( 0.000 -7.318 -0.313) 7.324 7.127 ( 0.000 0.403 0.489) 0.634 7.300 ( 0.000 -10.331 7.611) 12.831 7.311 ( 0.000 -6.409 0.258) 6.415 7.394 ( 0.000 13.751 -4.641) 14.513 7.962 ( 0.000 -9.192 0.667) 9.216 9.043 ( 0.000 6.452 -19.014) 20.079 9.194 ( 0.000 -1.770 -17.622) 17.711 15.926 ( 0.000 1.409 -0.143) 1.416 15.985 ( 0.000 -1.333 -0.192) 1.347 17.103 ( 0.000 1.212 -3.727) 3.919 17.170 ( 0.000 -2.190 -1.708) 2.778 22.848 ( 0.000 1.413 -0.734) 1.592 22.866 ( 0.000 0.654 -0.837) 1.062 26.278 ( 0.000 0.408 0.157) 0.438 26.308 ( 0.000 -1.153 1.277) 1.721 34.219 ( 0.000 7.762 1.458) 7.898 34.566 ( 0.000 -8.293 1.612) 8.448 37.333 ( 0.000 7.768 9.489) 12.263 37.903 ( 0.000 -19.877 13.535) 24.048 ======================= Grid point 271 (92/125) ======================= q-point: ( 0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 22.591 5.088 4.707) 23.630 1.866 ( 13.114 -6.272 1.389) 14.603 1.917 ( 2.616 5.886 9.976) 11.874 2.133 ( 2.440 -4.383 1.756) 5.315 2.362 ( -0.879 2.203 -3.508) 4.235 2.422 ( -1.012 -1.009 -2.189) 2.614 3.365 ( 12.745 6.767 -2.310) 14.614 3.567 ( 4.989 -2.520 -0.749) 5.639 3.943 ( 2.993 28.591 2.783) 28.882 4.130 ( 7.799 7.322 6.036) 12.283 4.499 ( 3.386 -5.402 12.418) 13.959 5.073 ( -3.114 -3.171 9.011) 10.048 5.231 ( 3.505 2.496 4.451) 6.190 5.366 ( 1.840 -2.390 1.837) 3.532 5.448 ( 4.848 8.525 -5.239) 11.119 5.764 ( 1.227 -3.234 -5.647) 6.623 6.086 ( -3.809 -5.604 16.514) 17.850 6.262 ( -3.145 3.698 1.946) 5.230 6.358 ( -0.885 -10.760 5.995) 12.349 6.605 ( -5.299 -5.265 2.322) 7.823 6.763 ( 10.449 11.656 -0.049) 15.654 6.921 ( -1.387 4.136 2.728) 5.145 7.093 ( -0.085 -0.200 0.515) 0.559 7.122 ( 1.509 -6.088 3.433) 7.151 7.279 ( -1.873 -1.709 -0.035) 2.536 7.357 ( 5.791 -7.301 2.960) 9.778 7.444 ( 3.778 6.824 -2.937) 8.335 7.955 ( -0.658 -9.218 0.179) 9.244 8.983 ( -6.035 5.662 -19.450) 21.137 9.114 ( -7.672 -0.873 -15.238) 17.083 15.968 ( 4.075 1.167 -0.008) 4.238 16.025 ( 3.879 -1.485 -0.098) 4.154 17.095 ( -0.766 1.109 -3.683) 3.922 17.153 ( -1.570 -1.830 -1.829) 3.026 22.846 ( -0.198 1.383 -0.629) 1.532 22.862 ( -0.348 0.675 -0.642) 0.995 26.265 ( -1.281 0.405 0.200) 1.359 26.295 ( -1.234 -1.172 1.228) 2.099 34.341 ( 11.779 7.240 -0.135) 13.827 34.667 ( 9.763 -7.727 0.877) 12.482 37.280 ( -5.178 7.171 9.394) 12.902 37.822 ( -8.022 -18.930 13.296) 24.484 ======================= Grid point 272 (93/125) ======================= q-point: ( 0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 4.904 5.277 9.209) 11.692 2.068 ( 9.574 -1.408 1.502) 9.793 2.139 ( 16.048 0.658 1.194) 16.106 2.247 ( 7.909 -3.821 -0.384) 8.792 2.350 ( 0.728 2.598 -2.229) 3.500 2.442 ( 5.650 -2.045 -1.148) 6.118 3.567 ( 5.789 20.327 -2.131) 21.243 3.628 ( 0.918 10.482 -0.264) 10.526 4.045 ( 7.285 4.688 10.521) 13.628 4.375 ( 14.360 -4.014 6.690) 16.342 4.632 ( 11.450 2.304 12.046) 16.779 5.015 ( -2.677 -2.831 7.115) 8.112 5.269 ( 0.191 1.011 1.115) 1.517 5.428 ( 4.823 1.397 0.365) 5.035 5.589 ( 8.346 7.538 1.054) 11.296 5.784 ( 0.473 -0.485 -4.949) 4.995 6.001 ( -4.180 -5.035 10.245) 12.157 6.219 ( -0.737 6.714 -0.602) 6.781 6.357 ( -0.328 -12.397 7.798) 14.649 6.504 ( -3.567 -8.412 2.356) 9.436 6.897 ( 0.918 4.257 -1.329) 4.554 6.992 ( 10.325 6.863 1.566) 12.496 7.059 ( -1.510 -1.525 1.654) 2.709 7.160 ( 1.395 -2.386 3.678) 4.601 7.262 ( 0.732 0.938 0.086) 1.193 7.475 ( 3.888 2.912 -3.246) 5.842 7.534 ( 6.078 -3.689 0.342) 7.118 7.937 ( -1.166 -9.830 -1.037) 9.953 8.810 ( -11.389 4.117 -19.569) 23.013 8.924 ( -10.865 0.543 -10.156) 14.883 16.070 ( 5.942 0.696 0.487) 6.002 16.121 ( 5.524 -1.755 0.143) 5.797 17.078 ( -0.838 0.861 -3.534) 3.733 17.118 ( -1.829 -1.094 -2.354) 3.175 22.841 ( -0.247 1.297 -0.372) 1.372 22.854 ( -0.465 0.720 -0.273) 0.900 26.235 ( -1.543 0.320 0.219) 1.591 26.264 ( -1.763 -1.137 1.042) 2.343 34.634 ( 16.907 6.417 -3.008) 18.332 34.910 ( 13.899 -6.026 -1.104) 15.190 37.151 ( -7.284 5.193 9.266) 12.880 37.611 ( -12.846 -16.508 12.602) 24.420 ======================= Grid point 273 (94/125) ======================= q-point: ( 0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 4.696 4.991 7.099) 9.867 2.158 ( 2.799 -1.785 1.741) 3.749 2.279 ( -1.344 0.451 0.827) 1.642 2.296 ( 0.011 -0.869 1.487) 1.722 2.542 ( 14.646 2.078 -1.646) 14.884 2.662 ( 12.143 -2.942 -0.919) 12.528 3.603 ( -0.657 22.747 -1.415) 22.800 3.623 ( -1.021 24.464 -1.297) 24.520 4.197 ( 7.783 -8.835 14.629) 18.778 4.545 ( 2.214 -13.457 13.231) 19.002 4.933 ( 14.655 3.634 8.169) 17.167 4.991 ( 1.776 -0.349 5.150) 5.459 5.256 ( -0.386 4.187 1.201) 4.373 5.543 ( 5.476 0.149 -5.718) 7.919 5.697 ( 1.568 5.318 7.395) 9.242 5.814 ( 4.312 3.870 -2.733) 6.406 5.935 ( -2.779 -3.802 2.120) 5.165 6.220 ( -2.079 2.112 2.598) 3.941 6.306 ( -1.405 -1.056 4.137) 4.494 6.492 ( -0.102 -14.860 8.467) 17.103 6.978 ( 8.061 -1.590 -5.990) 10.168 7.066 ( 3.044 -0.596 -0.042) 3.102 7.137 ( 3.279 1.456 2.909) 4.619 7.181 ( 1.867 -2.571 2.128) 3.824 7.346 ( 7.543 9.630 -1.820) 12.367 7.502 ( -0.408 2.844 -4.263) 5.141 7.632 ( 2.400 -0.817 -0.282) 2.551 7.904 ( -2.834 -11.613 -3.163) 12.366 8.572 ( -11.375 3.907 -15.032) 19.251 8.712 ( -10.497 -0.262 -7.773) 13.065 16.183 ( 5.245 0.178 1.097) 5.361 16.221 ( 4.284 -1.684 0.603) 4.642 17.066 ( -0.395 0.555 -3.420) 3.487 17.088 ( -1.196 -0.498 -3.170) 3.425 22.837 ( -0.133 1.169 -0.106) 1.181 22.845 ( -0.393 0.786 -0.011) 0.879 26.210 ( -0.948 0.094 0.178) 0.969 26.231 ( -1.518 -0.941 0.723) 1.927 34.957 ( 15.123 5.748 -4.903) 16.905 35.158 ( 10.203 -2.934 -3.429) 11.157 37.027 ( -4.491 1.391 9.439) 10.545 37.349 ( -13.189 -13.264 11.637) 22.030 ======================= Grid point 274 (95/125) ======================= q-point: ( 0.44 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 4.558 3.877 4.131) 7.271 2.181 ( -1.461 1.627 0.709) 2.299 2.255 ( 0.174 -1.159 4.142) 4.305 2.278 ( -1.417 -1.343 2.692) 3.325 2.766 ( 7.534 0.986 -0.644) 7.625 2.816 ( 2.777 -1.195 -0.411) 3.051 3.588 ( -0.344 24.611 -1.183) 24.642 3.597 ( -1.229 27.020 -1.632) 27.097 4.350 ( 7.897 -12.550 15.318) 21.319 4.493 ( -6.105 -14.223 15.429) 21.854 5.031 ( 3.556 2.516 4.895) 6.553 5.087 ( -0.826 0.476 5.629) 5.709 5.352 ( 9.885 4.345 0.311) 10.802 5.526 ( -6.646 0.340 -2.800) 7.220 5.780 ( 6.391 -0.783 -2.263) 6.825 5.874 ( -3.011 -5.866 -7.179) 9.748 5.929 ( 6.399 9.977 8.868) 14.802 6.087 ( -8.783 5.373 7.666) 12.837 6.367 ( 4.765 -4.631 5.502) 8.627 6.452 ( -3.587 -10.820 8.004) 13.928 7.088 ( 2.949 -1.047 2.057) 3.745 7.126 ( -0.913 -1.744 3.652) 4.149 7.221 ( 6.745 -1.171 -4.144) 8.002 7.284 ( 4.726 1.090 -4.046) 6.316 7.448 ( 4.328 1.002 -6.198) 7.626 7.543 ( 4.528 4.127 -3.678) 7.146 7.620 ( -1.241 2.845 -2.377) 3.909 7.777 ( -10.556 -6.168 -6.008) 13.622 8.445 ( -0.417 1.125 -8.461) 8.546 8.529 ( -7.719 -1.254 -6.635) 10.256 16.262 ( 2.543 -0.440 1.379) 2.926 16.276 ( 1.112 -1.146 1.150) 1.968 17.063 ( 0.134 0.218 -3.567) 3.576 17.070 ( -0.602 -0.125 -3.633) 3.685 22.836 ( 0.054 1.023 0.055) 1.026 22.839 ( -0.239 0.888 0.089) 0.924 26.200 ( -0.056 -0.236 0.208) 0.320 26.208 ( -0.822 -0.608 0.400) 1.098 35.195 ( 8.596 4.345 -5.551) 11.117 35.273 ( 0.992 1.178 -5.066) 5.295 37.003 ( 2.430 -4.019 9.994) 11.043 37.122 ( -9.384 -9.230 10.724) 16.979 ======================= Grid point 279 (96/125) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.000 -8.964 5.248) 10.387 1.528 ( 0.000 8.964 5.248) 10.387 2.014 ( 0.000 -5.319 6.311) 8.253 2.014 ( 0.000 5.319 6.311) 8.253 2.412 ( 0.000 -1.538 -4.216) 4.487 2.412 ( 0.000 1.538 -4.216) 4.487 3.335 ( 0.000 -7.346 -2.427) 7.736 3.335 ( 0.000 7.346 -2.427) 7.736 4.215 ( 0.000 -6.652 13.006) 14.609 4.215 ( 0.000 6.652 13.006) 14.609 4.748 ( 0.000 -29.134 0.012) 29.134 4.748 ( 0.000 29.134 0.012) 29.134 5.268 ( 0.000 -3.865 1.251) 4.063 5.268 ( 0.000 3.865 1.251) 4.063 5.603 ( 0.000 -9.514 -6.152) 11.329 5.603 ( 0.000 9.514 -6.152) 11.329 6.100 ( 0.000 -5.631 17.981) 18.842 6.100 ( 0.000 5.631 17.981) 18.842 6.548 ( 0.000 -7.688 1.564) 7.846 6.548 ( 0.000 7.688 1.564) 7.846 6.865 ( 0.000 -10.530 -0.143) 10.531 6.865 ( 0.000 10.530 -0.143) 10.531 7.098 ( 0.000 -8.923 5.560) 10.513 7.098 ( 0.000 8.923 5.560) 10.513 7.189 ( 0.000 -5.000 0.333) 5.012 7.189 ( 0.000 5.000 0.333) 5.012 7.699 ( 0.000 -14.992 -2.202) 15.153 7.699 ( 0.000 14.992 -2.202) 15.153 9.145 ( 0.000 -3.514 -17.925) 18.267 9.145 ( 0.000 3.514 -17.925) 18.267 15.956 ( 0.000 -1.481 -0.163) 1.490 15.956 ( 0.000 1.481 -0.163) 1.490 17.132 ( 0.000 -1.588 -2.790) 3.210 17.132 ( 0.000 1.588 -2.790) 3.210 22.868 ( 0.000 -0.483 -0.797) 0.932 22.868 ( 0.000 0.483 -0.797) 0.932 26.289 ( 0.000 -0.678 0.680) 0.960 26.289 ( 0.000 0.678 0.680) 0.960 34.390 ( 0.000 -8.688 1.520) 8.820 34.390 ( 0.000 8.688 1.520) 8.820 37.555 ( 0.000 -13.942 11.706) 18.205 37.555 ( 0.000 13.942 11.706) 18.205 ======================= Grid point 281 (97/125) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 18.002 -6.192 3.420) 19.342 1.735 ( 18.002 6.192 3.420) 19.342 2.032 ( 2.188 -5.341 5.768) 8.160 2.032 ( 2.188 5.341 5.768) 8.160 2.399 ( -0.966 -1.389 -3.747) 4.111 2.399 ( -0.966 1.389 -3.747) 4.111 3.479 ( 13.053 -5.177 -1.153) 14.089 3.479 ( 13.053 5.177 -1.153) 14.089 4.215 ( 0.088 -5.710 13.114) 14.303 4.215 ( 0.088 5.710 13.114) 14.303 4.766 ( 2.172 -25.293 0.495) 25.391 4.766 ( 2.172 25.293 0.495) 25.391 5.291 ( 2.096 -3.790 0.646) 4.378 5.291 ( 2.096 3.790 0.646) 4.378 5.637 ( 3.349 -8.568 -5.597) 10.768 5.637 ( 3.349 8.568 -5.597) 10.768 6.086 ( -1.154 -7.093 17.239) 18.677 6.086 ( -1.154 7.093 17.239) 18.677 6.472 ( -5.731 -7.709 0.565) 9.623 6.472 ( -5.731 7.709 0.565) 9.623 6.954 ( 5.832 -5.861 2.039) 8.516 6.954 ( 5.832 5.861 2.039) 8.516 7.070 ( -1.332 -3.899 2.553) 4.848 7.070 ( -1.332 3.899 2.553) 4.848 7.232 ( 4.198 -2.085 1.184) 4.835 7.232 ( 4.198 2.085 1.184) 4.835 7.700 ( 0.034 -14.178 -2.567) 14.409 7.700 ( 0.034 14.178 -2.567) 14.409 9.076 ( -6.805 -3.221 -16.973) 18.568 9.076 ( -6.805 3.221 -16.973) 18.568 15.995 ( 3.788 -1.423 -0.017) 4.047 15.995 ( 3.788 1.423 -0.017) 4.047 17.120 ( -1.048 -1.389 -2.853) 3.342 17.120 ( -1.048 1.389 -2.853) 3.342 22.865 ( -0.276 -0.437 -0.652) 0.832 22.865 ( -0.276 0.437 -0.652) 0.832 26.276 ( -1.271 -0.707 0.683) 1.607 26.276 ( -1.271 0.707 0.683) 1.607 34.501 ( 10.837 -8.167 0.582) 13.582 34.501 ( 10.837 8.167 0.582) 13.582 37.489 ( -6.462 -13.301 11.478) 18.720 37.489 ( -6.462 13.301 11.478) 18.720 ======================= Grid point 283 (98/125) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 6.189 -3.292 4.925) 8.567 2.019 ( 6.189 3.292 4.925) 8.567 2.178 ( 13.612 -2.803 1.001) 13.933 2.178 ( 13.612 2.803 1.001) 13.933 2.399 ( 2.678 -2.198 -2.473) 4.257 2.399 ( 2.678 2.198 -2.473) 4.257 3.748 ( 12.134 -1.856 1.150) 12.329 3.748 ( 12.134 1.856 1.150) 12.329 4.218 ( -0.042 -9.858 12.079) 15.591 4.218 ( -0.042 9.858 12.079) 15.591 4.847 ( 6.167 -13.586 3.027) 15.224 4.847 ( 6.167 13.586 3.027) 15.224 5.343 ( 3.172 -6.537 -1.392) 7.398 5.343 ( 3.172 6.537 -1.392) 7.398 5.718 ( 4.204 -4.750 -2.904) 6.976 5.718 ( 4.204 4.750 -2.904) 6.976 6.074 ( 0.510 -11.282 15.226) 18.958 6.074 ( 0.510 11.282 15.226) 18.958 6.370 ( -4.317 -5.947 -0.249) 7.353 6.370 ( -4.317 5.947 -0.249) 7.353 6.979 ( -1.121 -4.258 0.901) 4.494 6.979 ( -1.121 4.258 0.901) 4.494 7.107 ( 3.050 -3.406 2.327) 5.130 7.107 ( 3.050 3.406 2.327) 5.130 7.364 ( 9.093 -7.944 0.038) 12.075 7.364 ( 9.093 7.944 0.038) 12.075 7.695 ( -0.901 -12.452 -3.425) 12.946 7.695 ( -0.901 12.452 -3.425) 12.946 8.895 ( -11.243 -3.297 -14.499) 18.641 8.895 ( -11.243 3.297 -14.499) 18.641 16.090 ( 5.551 -1.272 0.371) 5.707 16.090 ( 5.551 1.272 0.371) 5.707 17.097 ( -1.219 -0.957 -3.060) 3.430 17.097 ( -1.219 0.957 -3.060) 3.430 22.858 ( -0.368 -0.333 -0.339) 0.601 22.858 ( -0.368 0.333 -0.339) 0.601 26.246 ( -1.670 -0.691 0.615) 1.909 26.246 ( -1.670 0.691 0.615) 1.909 34.774 ( 15.854 -6.994 -1.434) 17.388 34.774 ( 15.854 6.994 -1.434) 17.388 37.321 ( -10.071 -11.404 10.918) 18.726 37.321 ( -10.071 11.404 10.918) 18.726 ======================= Grid point 285 (99/125) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 3.846 -3.356 4.321) 6.687 2.104 ( 3.846 3.356 4.321) 6.687 2.286 ( -0.484 -0.322 0.467) 0.745 2.286 ( -0.484 0.322 0.467) 0.745 2.598 ( 13.346 -3.159 -1.191) 13.767 2.598 ( 13.346 3.159 -1.191) 13.767 3.922 ( 6.265 -10.682 3.092) 12.764 3.922 ( 6.265 10.682 3.092) 12.764 4.197 ( -2.433 -19.108 9.187) 21.340 4.197 ( -2.433 19.108 9.187) 21.340 4.983 ( 6.705 -1.127 6.111) 9.142 4.983 ( 6.705 1.127 6.111) 9.142 5.408 ( 3.214 -10.188 -1.856) 10.843 5.408 ( 3.214 10.188 -1.856) 10.843 5.775 ( 1.553 -2.538 -1.982) 3.575 5.775 ( 1.553 2.538 -1.982) 3.575 6.111 ( 2.603 -14.253 15.013) 20.864 6.111 ( 2.603 14.253 15.013) 20.864 6.307 ( -2.303 -2.926 0.170) 3.727 6.307 ( -2.303 2.926 0.170) 3.727 6.997 ( 3.575 -3.257 -3.026) 5.705 6.997 ( 3.575 3.257 -3.026) 5.705 7.157 ( 2.936 -0.734 1.839) 3.541 7.157 ( 2.936 0.734 1.839) 3.541 7.546 ( 7.997 -7.189 -0.844) 10.786 7.546 ( 7.997 7.189 -0.844) 10.786 7.654 ( -3.155 -11.518 -4.600) 12.798 7.654 ( -3.155 11.518 -4.600) 12.798 8.663 ( -11.580 -4.105 -11.279) 16.678 8.663 ( -11.580 4.105 -11.279) 16.678 16.194 ( 4.700 -0.936 0.856) 4.869 16.194 ( 4.700 0.936 0.856) 4.869 17.077 ( -0.761 -0.538 -3.383) 3.509 17.077 ( -0.761 0.538 -3.383) 3.509 22.852 ( -0.277 -0.210 -0.062) 0.353 22.852 ( -0.277 0.210 -0.062) 0.353 26.216 ( -1.239 -0.510 0.441) 1.410 26.216 ( -1.239 0.510 0.441) 1.410 35.073 ( 13.522 -5.210 -3.244) 14.850 35.073 ( 13.522 5.210 -3.244) 14.850 37.125 ( -9.230 -8.120 10.347) 16.069 37.125 ( -9.230 8.120 10.347) 16.069 ======================= Grid point 287 (100/125) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 2.949 -2.033 2.147) 4.176 2.174 ( 2.949 2.033 2.147) 4.176 2.255 ( -2.020 -0.929 2.981) 3.719 2.255 ( -2.020 0.929 2.981) 3.719 2.789 ( 5.267 -1.272 -0.569) 5.448 2.789 ( 5.267 1.272 -0.569) 5.448 4.025 ( 4.780 -16.843 3.060) 17.773 4.025 ( 4.780 16.843 3.060) 17.773 4.125 ( -4.499 -20.310 8.220) 22.368 4.125 ( -4.499 20.310 8.220) 22.368 5.077 ( 2.515 -1.597 6.377) 7.039 5.077 ( 2.515 1.597 6.377) 7.039 5.456 ( 1.405 -5.639 1.263) 5.947 5.456 ( 1.405 5.639 1.263) 5.947 5.790 ( 0.224 -2.051 -6.521) 6.840 5.790 ( 0.224 2.051 -6.521) 6.840 6.146 ( 0.772 -7.433 18.319) 19.785 6.146 ( 0.772 7.433 18.319) 19.785 6.276 ( -0.850 -1.718 -0.083) 1.918 6.276 ( -0.850 1.718 -0.083) 1.918 7.069 ( 1.981 -1.043 1.593) 2.748 7.069 ( 1.981 1.043 1.593) 2.748 7.272 ( 8.849 -3.138 -4.839) 10.563 7.272 ( 8.849 3.138 -4.839) 10.563 7.512 ( -8.017 -6.023 -6.829) 12.132 7.512 ( -8.017 6.023 -6.829) 12.132 7.696 ( 3.744 -4.194 -1.221) 5.753 7.696 ( 3.744 4.194 -1.221) 5.753 8.484 ( -5.488 -2.555 -8.451) 10.396 8.484 ( -5.488 2.555 -8.451) 10.396 16.261 ( 1.827 -0.351 1.212) 2.220 16.261 ( 1.827 0.351 1.212) 2.220 17.067 ( -0.239 -0.180 -3.650) 3.663 17.067 ( -0.239 0.180 -3.650) 3.663 22.848 ( -0.099 -0.072 0.080) 0.146 22.848 ( -0.099 0.072 0.080) 0.146 26.199 ( -0.438 -0.187 0.290) 0.558 26.199 ( -0.438 0.187 0.290) 0.558 35.265 ( 5.346 -2.064 -4.254) 7.137 35.265 ( 5.346 2.064 -4.254) 7.137 36.990 ( -3.833 -3.069 10.062) 11.196 36.990 ( -3.833 3.069 10.062) 11.196 ======================= Grid point 324 (101/125) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.000 0.000 6.439) 6.439 1.673 ( 0.000 0.000 17.876) 17.876 1.898 ( 0.000 0.000 -5.366) 5.366 2.058 ( 0.000 0.000 -13.422) 13.422 2.215 ( 0.000 0.000 -3.131) 3.131 2.313 ( 0.000 0.000 0.742) 0.742 2.636 ( 0.000 0.000 2.165) 2.165 3.068 ( 0.000 0.000 -2.458) 2.458 3.432 ( 0.000 0.000 -4.090) 4.090 3.859 ( 0.000 0.000 1.812) 1.812 4.741 ( 0.000 0.000 -0.050) 0.050 5.231 ( 0.000 0.000 -1.945) 1.945 5.237 ( 0.000 0.000 1.463) 1.463 5.470 ( 0.000 0.000 30.648) 30.648 5.616 ( 0.000 0.000 -0.485) 0.485 5.646 ( 0.000 0.000 -1.115) 1.115 5.795 ( 0.000 0.000 -2.564) 2.564 6.003 ( 0.000 0.000 0.026) 0.026 6.322 ( 0.000 0.000 -17.934) 17.934 6.822 ( 0.000 0.000 1.605) 1.605 6.869 ( 0.000 0.000 2.269) 2.269 7.055 ( 0.000 0.000 19.744) 19.744 7.250 ( 0.000 0.000 0.266) 0.266 7.268 ( 0.000 0.000 -0.274) 0.274 7.508 ( 0.000 0.000 -0.220) 0.220 7.559 ( 0.000 0.000 0.145) 0.145 7.692 ( 0.000 0.000 -1.417) 1.417 8.169 ( 0.000 0.000 0.775) 0.775 8.179 ( 0.000 0.000 -7.016) 7.016 9.045 ( 0.000 0.000 -11.866) 11.866 15.873 ( 0.000 0.000 -0.046) 0.046 16.026 ( 0.000 0.000 -0.118) 0.118 16.987 ( 0.000 0.000 -2.029) 2.029 17.296 ( 0.000 0.000 -0.203) 0.203 22.757 ( 0.000 0.000 -0.021) 0.021 22.810 ( 0.000 0.000 0.065) 0.065 26.257 ( 0.000 0.000 -0.264) 0.264 26.415 ( 0.000 0.000 0.709) 0.709 33.976 ( 0.000 0.000 0.556) 0.556 34.890 ( 0.000 0.000 0.727) 0.727 37.302 ( 0.000 0.000 2.624) 2.624 39.003 ( 0.000 0.000 -0.122) 0.122 ======================= Grid point 325 (102/125) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 24.618 0.000 2.930) 24.791 1.684 ( 1.142 0.000 17.817) 17.854 2.021 ( 11.311 0.000 -4.018) 12.004 2.057 ( -0.053 0.000 -13.903) 13.904 2.201 ( -1.417 0.000 -2.717) 3.065 2.324 ( 1.247 0.000 0.124) 1.253 2.609 ( -1.028 0.000 2.167) 2.399 3.244 ( -14.566 0.000 -2.629) 14.801 3.414 ( 31.199 0.000 -0.217) 31.199 4.043 ( 14.225 0.000 0.465) 14.233 4.858 ( 10.917 0.000 -0.639) 10.936 5.211 ( -2.419 0.000 1.391) 2.790 5.229 ( -0.143 0.000 -2.105) 2.110 5.484 ( 1.646 0.000 26.812) 26.863 5.637 ( -1.228 0.000 -0.948) 1.552 5.664 ( 4.994 0.000 3.623) 6.170 5.672 ( -8.165 0.000 -2.734) 8.611 6.164 ( 11.920 0.000 -0.002) 11.920 6.287 ( -3.926 0.000 -14.401) 14.926 6.838 ( 1.514 0.000 1.531) 2.154 6.881 ( 1.165 0.000 2.289) 2.568 6.882 ( -8.836 0.000 7.607) 11.659 7.233 ( -14.779 0.000 4.468) 15.440 7.289 ( 2.128 0.000 -0.269) 2.145 7.493 ( -1.458 0.000 -0.194) 1.471 7.502 ( 8.154 0.000 2.282) 8.467 7.897 ( 11.374 0.000 2.212) 11.587 8.147 ( -2.310 0.000 0.772) 2.435 8.176 ( 0.278 0.000 -9.480) 9.484 8.947 ( -9.716 0.000 -10.829) 14.549 15.928 ( 5.365 0.000 -0.119) 5.367 16.075 ( 4.652 0.000 -0.234) 4.658 16.985 ( -0.197 0.000 -1.959) 1.969 17.260 ( -3.452 0.000 -0.014) 3.452 22.758 ( 0.095 0.000 -0.020) 0.097 22.807 ( -0.222 0.000 0.063) 0.231 26.246 ( -0.995 0.000 -0.231) 1.021 26.398 ( -1.678 0.000 0.667) 1.805 34.078 ( 9.822 0.000 -0.394) 9.830 34.942 ( 4.842 0.000 0.183) 4.846 37.279 ( -1.963 0.000 2.742) 3.372 38.875 ( -12.631 0.000 0.632) 12.647 ======================= Grid point 326 (103/125) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 2.740 0.000 17.096) 17.314 2.060 ( 0.464 0.000 -15.064) 15.071 2.088 ( 25.786 0.000 -0.245) 25.787 2.163 ( -2.266 0.000 -1.187) 2.558 2.253 ( 9.493 0.000 0.673) 9.517 2.367 ( 3.366 0.000 -2.855) 4.414 2.636 ( 4.846 0.000 2.215) 5.328 2.945 ( -15.366 0.000 -1.784) 15.469 4.120 ( 37.139 0.000 4.007) 37.354 4.333 ( 14.784 0.000 -0.151) 14.785 5.093 ( 10.621 0.000 -1.891) 10.788 5.154 ( -3.095 0.000 1.018) 3.258 5.237 ( 1.774 0.000 -2.190) 2.819 5.524 ( -6.474 0.000 -3.019) 7.143 5.541 ( 4.102 0.000 19.735) 20.157 5.591 ( -3.717 0.000 -0.828) 3.809 5.819 ( 10.351 0.000 10.541) 14.774 6.183 ( -4.555 0.000 -6.263) 7.744 6.409 ( 12.684 0.000 0.245) 12.686 6.787 ( -4.557 0.000 0.745) 4.617 6.874 ( 1.862 0.000 1.563) 2.430 6.913 ( -12.325 0.000 -5.747) 13.599 6.915 ( 2.385 0.000 2.119) 3.191 7.346 ( 3.077 0.000 -0.221) 3.085 7.457 ( -1.595 0.000 -0.113) 1.599 7.602 ( -0.310 0.000 11.613) 11.617 8.080 ( -4.526 0.000 0.751) 4.588 8.087 ( 8.408 0.000 0.770) 8.443 8.212 ( 2.904 0.000 -12.164) 12.506 8.688 ( -15.913 0.000 -8.184) 17.894 16.066 ( 8.116 0.000 0.147) 8.117 16.187 ( 6.166 0.000 -0.590) 6.194 16.984 ( 0.205 0.000 -1.747) 1.759 17.175 ( -4.742 0.000 0.142) 4.744 22.761 ( 0.203 0.000 -0.015) 0.203 22.801 ( -0.395 0.000 0.056) 0.399 26.225 ( -0.979 0.000 -0.176) 0.995 26.354 ( -2.658 0.000 0.545) 2.713 34.326 ( 14.641 0.000 -2.130) 14.795 35.045 ( 4.630 0.000 -1.159) 4.773 37.250 ( -0.270 0.000 3.084) 3.095 38.545 ( -20.025 0.000 2.092) 20.134 ======================= Grid point 327 (104/125) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 4.419 0.000 14.187) 14.859 2.056 ( -2.100 0.000 -10.175) 10.390 2.143 ( 1.658 0.000 -3.336) 3.725 2.357 ( 2.868 0.000 3.071) 4.202 2.402 ( 2.529 0.000 -0.498) 2.577 2.548 ( 17.515 0.000 -2.083) 17.638 2.656 ( -13.872 0.000 -1.692) 13.975 2.792 ( 8.763 0.000 0.472) 8.775 4.609 ( 13.209 0.000 -0.396) 13.215 4.730 ( 22.785 0.000 9.029) 24.509 5.092 ( -3.496 0.000 0.241) 3.504 5.182 ( -0.099 0.000 2.486) 2.488 5.386 ( 12.631 0.000 -10.316) 16.308 5.422 ( -3.936 0.000 -2.844) 4.856 5.498 ( -5.363 0.000 -0.717) 5.411 5.636 ( 5.723 0.000 14.347) 15.447 5.897 ( -3.537 0.000 13.502) 13.958 6.304 ( 15.876 0.000 0.141) 15.876 6.515 ( -14.686 0.000 -2.576) 14.910 6.643 ( 10.745 0.000 0.473) 10.755 6.899 ( 0.483 0.000 1.747) 1.813 6.953 ( 8.638 0.000 -8.903) 12.405 6.975 ( 3.873 0.000 1.599) 4.190 7.329 ( -4.689 0.000 -0.010) 4.689 7.506 ( -7.709 0.000 10.867) 13.324 7.510 ( 6.671 0.000 0.005) 6.671 7.971 ( -6.525 0.000 0.675) 6.560 8.183 ( -10.826 0.000 -14.731) 18.281 8.235 ( 6.021 0.000 -2.349) 6.463 8.414 ( -6.974 0.000 -0.591) 6.999 16.221 ( 7.175 0.000 0.827) 7.222 16.295 ( 4.474 0.000 -0.803) 4.545 16.993 ( 0.723 0.000 -1.446) 1.617 17.089 ( -3.779 0.000 -0.210) 3.785 22.766 ( 0.320 0.000 -0.005) 0.320 22.792 ( -0.487 0.000 0.043) 0.489 26.213 ( -0.116 0.000 -0.107) 0.158 26.300 ( -2.711 0.000 0.369) 2.736 34.615 ( 14.160 0.000 -3.313) 14.542 35.091 ( -0.326 0.000 -2.572) 2.593 37.295 ( 5.317 0.000 3.494) 6.362 38.134 ( -20.978 0.000 3.165) 21.215 ======================= Grid point 328 (105/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 5.130 0.000 7.786) 9.324 1.984 ( -4.589 0.000 -0.264) 4.597 2.232 ( 7.042 0.000 -5.687) 9.051 2.398 ( 1.476 0.000 2.019) 2.501 2.411 ( -11.058 0.000 -3.058) 11.473 2.416 ( -0.280 0.000 0.925) 0.967 2.816 ( 9.141 0.000 -0.473) 9.153 2.897 ( 0.949 0.000 0.060) 0.951 4.841 ( 10.316 0.000 -0.548) 10.330 5.002 ( -6.128 0.000 -0.454) 6.145 5.021 ( 9.166 0.000 7.423) 11.795 5.144 ( -3.876 0.000 5.096) 6.402 5.376 ( -0.603 0.000 -2.023) 2.111 5.405 ( -3.551 0.000 -1.101) 3.718 5.602 ( 7.719 0.000 0.520) 7.737 5.714 ( -2.757 0.000 5.142) 5.835 5.909 ( 10.705 0.000 7.819) 13.256 6.180 ( -14.792 0.000 -8.191) 16.909 6.722 ( 19.609 0.000 9.431) 21.759 6.810 ( 6.096 0.000 1.013) 6.180 6.886 ( -1.992 0.000 1.566) 2.533 7.027 ( -7.886 0.000 5.421) 9.569 7.074 ( 6.342 0.000 0.913) 6.408 7.210 ( -6.974 0.000 0.301) 6.981 7.474 ( 10.806 0.000 -7.024) 12.888 7.664 ( 8.498 0.000 0.266) 8.502 7.826 ( -20.932 0.000 -14.760) 25.612 7.828 ( -8.041 0.000 0.514) 8.057 8.330 ( 3.474 0.000 -0.476) 3.506 8.373 ( -1.094 0.000 -0.346) 1.147 16.327 ( 3.405 0.000 0.852) 3.510 16.350 ( 0.986 0.000 -0.186) 1.004 17.009 ( 0.896 0.000 -1.176) 1.479 17.034 ( -1.882 0.000 -0.823) 2.054 22.774 ( 0.427 0.000 0.009) 0.427 22.783 ( -0.492 0.000 0.027) 0.493 26.222 ( 1.014 0.000 0.012) 1.014 26.252 ( -2.049 0.000 0.180) 2.057 34.861 ( 10.753 0.000 -3.725) 11.380 35.027 ( -6.066 0.000 -3.472) 6.989 37.464 ( 11.888 0.000 3.718) 12.456 37.753 ( -17.500 0.000 3.642) 17.875 ======================= Grid point 333 (106/125) ======================= q-point: ( 0.00 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 1.792 5.810) 6.080 1.848 ( 0.000 11.202 17.016) 20.372 1.884 ( 0.000 -1.505 -4.241) 4.500 2.125 ( 0.000 4.297 -8.124) 9.190 2.288 ( 0.000 0.852 -0.396) 0.939 2.321 ( 0.000 9.761 -7.424) 12.263 2.633 ( 0.000 2.689 2.417) 3.615 3.066 ( 0.000 0.014 -2.346) 2.346 3.549 ( 0.000 10.685 -3.497) 11.243 3.813 ( 0.000 -4.514 1.320) 4.703 4.804 ( 0.000 6.089 -0.059) 6.090 5.129 ( 0.000 -9.256 5.417) 10.725 5.234 ( 0.000 0.313 -1.750) 1.778 5.507 ( 0.000 2.082 22.091) 22.189 5.542 ( 0.000 -5.221 0.228) 5.226 5.671 ( 0.000 1.851 -2.014) 2.735 5.880 ( 0.000 8.082 -0.486) 8.096 6.127 ( 0.000 10.228 0.071) 10.229 6.380 ( 0.000 5.780 -13.781) 14.944 6.801 ( 0.000 -3.093 6.227) 6.953 6.890 ( 0.000 1.021 4.152) 4.276 6.956 ( 0.000 -3.609 5.472) 6.555 7.204 ( 0.000 -3.369 0.020) 3.369 7.262 ( 0.000 -1.524 -0.019) 1.524 7.389 ( 0.000 -20.100 0.914) 20.121 7.527 ( 0.000 -3.025 0.135) 3.028 7.779 ( 0.000 15.481 1.102) 15.520 8.004 ( 0.000 -7.900 8.845) 11.860 8.375 ( 0.000 7.240 -15.073) 16.722 9.013 ( 0.000 -2.379 -9.871) 10.154 15.880 ( 0.000 0.608 -0.047) 0.610 16.021 ( 0.000 -0.520 -0.113) 0.532 16.995 ( 0.000 0.752 -1.955) 2.094 17.271 ( 0.000 -2.278 -0.166) 2.284 22.771 ( 0.000 1.225 -0.112) 1.230 22.819 ( 0.000 0.821 0.023) 0.821 26.260 ( 0.000 0.273 -0.218) 0.350 26.399 ( 0.000 -1.406 0.747) 1.593 34.008 ( 0.000 3.060 0.556) 3.110 34.852 ( 0.000 -3.632 0.715) 3.702 37.305 ( 0.000 0.563 2.737) 2.794 38.859 ( 0.000 -13.353 1.202) 13.407 ======================= Grid point 334 (107/125) ======================= q-point: ( 0.11 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 23.772 0.919 2.792) 23.953 1.852 ( 0.479 10.724 16.452) 19.644 2.005 ( 10.987 -1.480 -3.053) 11.498 2.132 ( 1.082 4.628 -7.904) 9.223 2.288 ( -0.631 6.935 -3.780) 7.923 2.317 ( 0.209 4.211 -4.431) 6.116 2.596 ( -1.586 0.838 2.266) 2.890 3.338 ( -14.174 8.250 -2.127) 16.537 3.419 ( 31.168 0.854 -0.212) 31.181 4.050 ( 16.701 0.468 0.228) 16.709 4.894 ( 8.436 3.809 -0.470) 9.268 5.118 ( -0.849 -8.199 4.312) 9.303 5.233 ( -0.167 0.352 -1.833) 1.874 5.481 ( -1.374 -2.271 8.986) 9.369 5.587 ( 2.571 -0.622 14.182) 14.426 5.666 ( -0.543 1.686 -0.922) 1.997 5.809 ( -3.107 8.960 -1.415) 9.588 6.267 ( 10.697 9.150 -0.001) 14.076 6.339 ( -4.134 5.233 -9.995) 12.016 6.769 ( -3.097 -5.631 6.146) 8.892 6.879 ( -0.467 0.377 2.184) 2.265 6.918 ( -0.012 2.850 0.324) 2.868 7.126 ( -15.463 -11.143 1.307) 19.105 7.243 ( 2.481 -3.871 -0.430) 4.617 7.386 ( 6.340 -3.949 -0.200) 7.471 7.671 ( 5.649 -2.882 6.513) 9.090 7.797 ( 1.972 4.406 0.349) 4.840 8.001 ( 0.741 -5.809 5.851) 8.278 8.357 ( -1.725 5.991 -15.559) 16.761 8.927 ( -8.506 -1.238 -8.470) 12.067 15.933 ( 5.190 0.440 -0.098) 5.209 16.068 ( 4.516 -0.656 -0.201) 4.568 16.992 ( -0.258 0.694 -1.893) 2.033 17.238 ( -3.150 -1.991 -0.030) 3.727 22.771 ( 0.070 1.202 -0.095) 1.208 22.816 ( -0.220 0.823 0.029) 0.853 26.248 ( -1.043 0.231 -0.188) 1.085 26.383 ( -1.594 -1.334 0.699) 2.193 34.110 ( 9.858 3.085 -0.324) 10.335 34.911 ( 5.523 -3.020 0.224) 6.299 37.278 ( -2.464 0.108 2.830) 3.754 38.739 ( -11.829 -12.604 1.733) 17.372 ======================= Grid point 335 (108/125) ======================= q-point: ( 0.22 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 1.592 9.285 14.738) 17.491 2.082 ( 24.665 -0.421 -0.334) 24.671 2.138 ( 2.102 2.217 -4.241) 5.227 2.241 ( 2.008 4.786 -2.047) 5.579 2.277 ( 5.626 11.801 -7.218) 14.933 2.346 ( 2.827 -1.745 -2.349) 4.069 2.614 ( 4.427 -1.129 2.217) 5.078 3.063 ( -13.476 10.775 -1.745) 17.342 4.117 ( 36.245 -0.229 3.831) 36.448 4.379 ( 16.448 3.870 0.162) 16.898 5.071 ( 6.328 -2.316 2.038) 7.039 5.108 ( 1.275 -3.803 -0.457) 4.037 5.240 ( 1.899 0.337 -2.596) 3.234 5.443 ( -3.144 -4.563 0.451) 5.560 5.591 ( -2.624 1.966 4.218) 5.342 5.653 ( 0.362 5.728 13.076) 14.280 5.876 ( 9.488 5.084 4.871) 11.815 6.213 ( -6.014 3.324 -3.277) 7.613 6.504 ( 11.799 8.250 0.379) 14.402 6.729 ( -5.617 -5.074 0.457) 7.583 6.830 ( -7.711 -7.266 -6.388) 12.372 6.894 ( 1.261 0.811 0.292) 1.527 6.942 ( 2.081 2.698 1.864) 3.884 7.313 ( 4.538 -3.166 -0.375) 5.546 7.460 ( 0.730 -0.773 1.317) 1.692 7.663 ( -5.715 5.432 13.397) 15.545 7.833 ( 0.625 -14.844 0.170) 14.858 8.081 ( 6.923 -1.284 0.466) 7.057 8.305 ( -4.098 1.325 -17.393) 17.918 8.709 ( -12.603 2.546 -4.607) 13.658 16.066 ( 7.853 0.023 0.155) 7.855 16.177 ( 6.046 -0.907 -0.483) 6.133 16.989 ( 0.090 0.528 -1.706) 1.788 17.161 ( -4.326 -1.319 0.040) 4.523 22.774 ( 0.163 1.144 -0.058) 1.157 22.810 ( -0.386 0.835 0.039) 0.921 26.226 ( -1.075 0.100 -0.140) 1.088 26.341 ( -2.524 -1.142 0.563) 2.828 34.360 ( 14.756 3.221 -1.945) 15.228 35.032 ( 5.832 -1.260 -1.013) 6.052 37.234 ( -1.226 -1.269 3.115) 3.580 38.429 ( -18.878 -10.804 2.755) 21.925 ======================= Grid point 336 (109/125) ======================= q-point: ( 0.33 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 2.912 7.765 10.553) 13.422 2.140 ( -2.570 2.150 -0.082) 3.352 2.249 ( 3.213 13.995 -7.518) 16.208 2.362 ( 2.336 1.729 0.238) 2.916 2.400 ( 2.592 2.108 -0.073) 3.342 2.502 ( 14.782 -2.139 -1.897) 15.056 2.767 ( 8.285 -1.373 0.815) 8.437 2.829 ( -8.845 13.296 -2.057) 16.101 4.666 ( 15.193 3.649 3.257) 15.961 4.720 ( 20.721 0.144 5.466) 21.430 5.076 ( -0.948 -1.539 2.422) 3.022 5.173 ( 0.918 -1.278 0.695) 1.721 5.345 ( -0.178 -4.796 -1.049) 4.913 5.392 ( 7.631 -1.306 -6.890) 10.364 5.496 ( -6.258 1.263 -2.272) 6.777 5.703 ( 4.082 5.654 12.251) 14.096 5.955 ( -4.036 5.201 11.956) 13.649 6.300 ( 14.825 0.043 0.488) 14.833 6.441 ( -13.097 -6.780 -3.258) 15.104 6.739 ( 9.581 8.362 0.994) 12.756 6.910 ( 0.695 0.488 1.155) 1.433 6.927 ( 9.692 -2.293 -9.292) 13.621 7.005 ( 4.616 2.870 1.615) 5.670 7.382 ( -1.066 2.624 -0.166) 2.837 7.462 ( 3.275 -3.741 0.767) 5.031 7.497 ( -9.881 0.479 11.897) 15.473 7.804 ( -3.638 -12.939 0.727) 13.461 8.132 ( -12.821 -5.263 -14.763) 20.249 8.231 ( 5.689 -0.306 -3.938) 6.926 8.505 ( -6.808 6.245 -0.634) 9.260 16.216 ( 6.944 -0.446 0.764) 7.000 16.284 ( 4.462 -1.019 -0.647) 4.622 16.996 ( 0.582 0.279 -1.439) 1.577 17.082 ( -3.446 -0.624 -0.327) 3.517 22.778 ( 0.276 1.069 -0.020) 1.104 22.802 ( -0.465 0.867 0.040) 0.984 26.212 ( -0.241 -0.105 -0.084) 0.276 26.290 ( -2.560 -0.887 0.377) 2.736 34.651 ( 14.268 3.441 -3.062) 14.993 35.103 ( 0.828 1.044 -2.349) 2.700 37.258 ( 4.242 -3.277 3.496) 6.399 38.041 ( -19.895 -8.766 3.479) 22.018 ======================= Grid point 337 (110/125) ======================= q-point: ( 0.44 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 4.116 6.484 5.344) 9.356 2.065 ( -4.413 5.295 1.280) 7.011 2.345 ( 5.262 6.572 -1.294) 8.518 2.392 ( 0.234 -0.698 0.560) 0.925 2.430 ( 2.405 8.462 -1.289) 8.891 2.544 ( -7.500 11.882 -2.582) 14.286 2.827 ( 6.562 2.026 -0.623) 6.895 2.884 ( 1.552 -1.044 -0.131) 1.875 4.905 ( 9.581 5.727 0.785) 11.190 4.985 ( 5.492 -2.144 3.976) 7.111 5.061 ( 0.758 2.876 5.311) 6.087 5.147 ( -3.910 0.428 5.602) 6.845 5.293 ( -0.234 -7.319 -0.696) 7.356 5.361 ( -6.170 -2.294 -2.196) 6.939 5.625 ( 9.563 1.157 -4.745) 10.738 5.751 ( -2.741 3.085 2.418) 4.783 5.932 ( 6.734 2.619 10.225) 12.520 6.148 ( -12.944 -2.631 -6.526) 14.732 6.682 ( 17.557 -3.151 9.204) 20.072 6.873 ( 0.929 1.659 4.207) 4.616 6.905 ( 1.870 3.844 0.660) 4.325 7.040 ( -5.279 2.777 3.567) 6.951 7.129 ( 7.739 5.012 0.767) 9.252 7.281 ( -7.172 6.166 0.073) 9.459 7.430 ( 9.452 -4.095 -6.308) 12.079 7.581 ( 6.842 -7.571 0.708) 10.229 7.694 ( -7.912 -9.767 -3.597) 13.074 7.802 ( -17.409 -4.107 -11.364) 21.191 8.338 ( 4.654 0.509 -0.944) 4.776 8.416 ( -3.577 3.088 -0.729) 4.782 16.319 ( 3.272 -0.778 0.796) 3.456 16.340 ( 1.051 -0.959 -0.102) 1.426 17.010 ( 0.786 0.043 -1.201) 1.436 17.032 ( -1.719 -0.181 -0.890) 1.944 22.784 ( 0.386 0.990 0.009) 1.063 22.793 ( -0.459 0.920 0.029) 1.028 26.218 ( 0.875 -0.349 0.022) 0.943 26.246 ( -1.901 -0.614 0.184) 2.006 34.897 ( 10.637 3.448 -3.453) 11.703 35.057 ( -5.460 2.767 -3.211) 6.912 37.407 ( 10.966 -5.222 3.745) 12.710 37.679 ( -16.581 -6.937 3.760) 18.363 ======================= Grid point 342 (111/125) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 0.000 4.017 4.476) 6.014 1.832 ( 0.000 -3.590 -1.796) 4.014 2.011 ( 0.000 5.613 10.248) 11.684 2.172 ( 0.000 0.695 -1.238) 1.420 2.269 ( 0.000 -0.500 -2.167) 2.224 2.430 ( 0.000 -2.085 -3.035) 3.682 3.074 ( 0.000 37.229 -1.281) 37.251 3.082 ( 0.000 1.923 -2.063) 2.820 3.678 ( 0.000 -8.361 0.413) 8.371 3.823 ( 0.000 14.878 -1.817) 14.989 4.897 ( 0.000 -12.532 5.794) 13.807 4.984 ( 0.000 11.042 0.077) 11.042 5.247 ( 0.000 1.039 -1.701) 1.994 5.440 ( 0.000 -4.512 0.337) 4.524 5.518 ( 0.000 -1.907 13.871) 14.002 5.702 ( 0.000 0.425 -2.357) 2.395 6.098 ( 0.000 12.235 0.992) 12.275 6.369 ( 0.000 12.660 0.039) 12.660 6.527 ( 0.000 5.640 -3.791) 6.796 6.676 ( 0.000 -8.155 12.328) 14.782 6.887 ( 0.000 -8.724 1.776) 8.903 6.918 ( 0.000 -7.883 -3.540) 8.641 7.030 ( 0.000 4.516 -3.694) 5.835 7.134 ( 0.000 -3.108 -0.060) 3.108 7.200 ( 0.000 -4.379 0.100) 4.381 7.439 ( 0.000 -5.416 0.115) 5.417 7.803 ( 0.000 -11.236 14.260) 18.154 8.061 ( 0.000 5.942 7.225) 9.354 8.457 ( 0.000 4.286 -25.585) 25.942 8.984 ( 0.000 -0.324 -5.838) 5.847 15.897 ( 0.000 1.101 -0.051) 1.102 16.005 ( 0.000 -0.976 -0.100) 0.981 17.017 ( 0.000 1.369 -1.741) 2.215 17.212 ( 0.000 -3.207 -0.232) 3.215 22.803 ( 0.000 1.766 -0.243) 1.783 22.839 ( 0.000 1.061 -0.085) 1.064 26.268 ( 0.000 0.531 -0.089) 0.538 26.364 ( 0.000 -1.879 0.739) 2.019 34.100 ( 0.000 5.780 0.559) 5.807 34.745 ( 0.000 -6.588 0.684) 6.623 37.342 ( 0.000 3.536 3.060) 4.676 38.502 ( 0.000 -20.208 3.392) 20.490 ======================= Grid point 343 (112/125) ======================= q-point: ( 0.11 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 21.782 2.561 2.147) 22.037 1.959 ( 11.221 -2.943 -1.086) 11.652 2.012 ( 0.357 5.638 9.341) 10.916 2.183 ( 1.422 0.978 -1.491) 2.280 2.277 ( 0.822 -0.772 -1.488) 1.867 2.426 ( 0.137 -2.370 -2.519) 3.462 2.951 ( -3.152 29.088 -2.175) 29.339 3.487 ( 28.051 8.524 0.135) 29.318 3.515 ( -8.347 6.714 -1.178) 10.776 4.073 ( 17.808 2.758 0.061) 18.020 4.903 ( 0.812 -11.462 5.762) 12.854 5.028 ( 3.916 8.442 -0.463) 9.318 5.248 ( 0.053 1.254 -2.106) 2.452 5.401 ( -2.478 -4.428 1.507) 5.293 5.595 ( 6.323 -0.756 14.099) 15.471 5.696 ( -0.582 0.781 -2.382) 2.573 6.029 ( -4.145 11.855 0.140) 12.560 6.468 ( -6.558 4.715 1.977) 8.315 6.500 ( 10.313 12.317 -0.051) 16.065 6.638 ( -1.334 -6.609 3.998) 7.839 6.784 ( -9.769 -17.100 -2.570) 19.861 6.901 ( -0.378 1.790 0.504) 1.898 7.016 ( -0.499 5.736 -1.605) 5.977 7.170 ( 3.246 -2.313 -0.541) 4.022 7.300 ( 7.325 -4.836 1.016) 8.836 7.489 ( 3.791 -8.829 0.160) 9.610 7.788 ( -1.716 -9.653 15.497) 18.338 8.051 ( -0.588 4.189 4.716) 6.335 8.410 ( -4.657 3.303 -25.494) 26.125 8.924 ( -5.896 0.660 -4.723) 7.583 15.946 ( 4.752 0.850 -0.056) 4.828 16.049 ( 4.211 -1.148 -0.128) 4.366 17.012 ( -0.433 1.257 -1.704) 2.161 17.186 ( -2.451 -2.817 -0.194) 3.739 22.803 ( 0.017 1.738 -0.205) 1.751 22.837 ( -0.204 1.074 -0.060) 1.095 26.256 ( -1.154 0.478 -0.067) 1.251 26.349 ( -1.438 -1.813 0.689) 2.415 34.202 ( 9.939 5.803 -0.142) 11.510 34.820 ( 7.119 -5.770 0.308) 9.169 37.302 ( -3.742 2.841 3.095) 5.626 38.400 ( -10.038 -19.246 3.563) 21.997 ======================= Grid point 344 (113/125) ======================= q-point: ( 0.22 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 3.400 4.652 7.017) 9.080 2.083 ( 19.739 0.966 0.590) 19.771 2.148 ( 4.641 -0.264 -0.572) 4.684 2.261 ( 6.061 0.641 -1.132) 6.199 2.306 ( 2.454 -1.575 -0.710) 3.001 2.481 ( 7.701 -2.213 -1.429) 8.139 2.908 ( -1.659 31.748 -2.455) 31.886 3.338 ( -8.428 14.710 -1.287) 17.002 4.120 ( 31.711 0.899 3.484) 31.915 4.448 ( 19.754 1.868 0.866) 19.861 4.943 ( 3.767 -8.258 5.556) 10.642 5.099 ( 2.376 2.269 -0.028) 3.285 5.256 ( 1.368 1.453 -4.225) 4.672 5.352 ( -2.651 -3.886 0.514) 4.732 5.654 ( -2.570 3.274 -1.494) 4.422 5.750 ( 6.537 2.712 16.100) 17.587 6.018 ( 4.843 8.470 -0.519) 9.771 6.296 ( -9.474 2.012 6.751) 11.806 6.523 ( -11.462 -8.975 -6.187) 15.818 6.683 ( 5.003 -6.338 -4.163) 9.085 6.749 ( 10.860 11.007 2.058) 15.599 6.901 ( 0.547 0.477 -0.845) 1.114 7.021 ( 1.112 4.791 0.841) 4.990 7.243 ( 3.940 -2.732 -0.578) 4.829 7.408 ( 2.675 -4.026 4.502) 6.606 7.539 ( 0.613 -12.591 0.326) 12.611 7.727 ( -4.662 -2.117 13.788) 14.708 8.058 ( 0.963 -3.950 -0.263) 4.075 8.289 ( -6.938 2.522 -23.001) 24.156 8.773 ( -8.893 2.503 -2.670) 9.617 16.068 ( 7.189 0.218 0.164) 7.195 16.152 ( 5.798 -1.441 -0.249) 5.980 17.005 ( -0.236 0.942 -1.583) 1.857 17.127 ( -3.347 -1.887 -0.263) 3.851 22.804 ( 0.072 1.661 -0.120) 1.667 22.832 ( -0.346 1.117 -0.011) 1.169 26.230 ( -1.310 0.295 -0.040) 1.344 26.312 ( -2.242 -1.610 0.551) 2.815 34.455 ( 15.005 5.952 -1.466) 16.209 34.988 ( 8.874 -3.253 -0.675) 9.475 37.220 ( -3.861 0.598 3.243) 5.078 38.135 ( -16.213 -16.838 3.857) 23.691 ======================= Grid point 345 (114/125) ======================= q-point: ( 0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 2.192 5.419 5.014) 7.701 2.171 ( -0.174 1.169 -0.175) 1.194 2.312 ( 2.336 -0.957 2.186) 3.340 2.348 ( 1.401 -2.109 -0.890) 2.684 2.486 ( 16.139 0.677 -0.900) 16.178 2.708 ( 11.896 -1.965 -0.567) 12.071 2.884 ( -0.586 32.090 -2.794) 32.216 3.184 ( -7.234 20.034 -1.333) 21.342 4.605 ( 17.090 -7.387 7.893) 20.222 4.812 ( 16.300 3.308 0.788) 16.651 5.050 ( 5.588 -0.023 5.521) 7.855 5.106 ( -0.909 -4.204 0.576) 4.339 5.265 ( -3.608 -1.918 2.302) 4.690 5.365 ( 7.690 -0.724 -7.459) 10.738 5.569 ( -5.529 4.907 -4.577) 8.695 5.831 ( 2.109 5.568 8.916) 10.721 6.075 ( -6.159 4.860 12.109) 14.428 6.264 ( 1.079 -7.118 0.141) 7.201 6.327 ( 3.270 1.653 -3.117) 4.811 6.864 ( 11.499 -3.256 -9.029) 14.978 6.867 ( 1.637 -2.260 4.978) 5.707 6.973 ( 5.628 9.970 -1.141) 11.505 7.087 ( 7.186 5.107 0.941) 8.866 7.318 ( 3.688 -5.719 -0.086) 6.806 7.384 ( -4.965 -4.641 10.018) 12.106 7.516 ( -2.590 -9.536 -0.630) 9.901 7.614 ( -6.515 3.817 4.699) 8.894 7.977 ( -11.407 -9.436 -14.137) 20.470 8.238 ( 3.253 1.746 -6.390) 7.379 8.602 ( -8.180 2.546 -1.684) 8.731 16.205 ( 6.356 -0.507 0.611) 6.406 16.257 ( 4.479 -1.516 -0.300) 4.738 17.004 ( 0.197 0.496 -1.410) 1.507 17.066 ( -2.654 -0.908 -0.617) 2.872 22.806 ( 0.167 1.549 -0.039) 1.558 22.824 ( -0.396 1.191 0.026) 1.256 26.210 ( -0.566 -0.025 -0.019) 0.567 26.267 ( -2.202 -1.277 0.362) 2.571 34.751 ( 14.436 6.138 -2.414) 15.871 35.123 ( 4.139 0.566 -1.799) 4.548 37.184 ( 0.921 -3.152 3.519) 4.813 37.801 ( -17.193 -13.868 3.990) 22.447 ======================= Grid point 346 (115/125) ======================= q-point: ( 0.44 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 2.822 4.563 2.429) 5.890 2.146 ( -2.175 2.903 0.613) 3.679 2.348 ( 1.406 -1.463 2.285) 3.055 2.362 ( 0.026 -1.886 1.071) 2.169 2.727 ( 8.321 2.896 -0.493) 8.825 2.818 ( -1.224 5.645 -0.324) 5.785 2.939 ( 6.268 22.783 -2.404) 23.751 3.056 ( -5.939 21.947 -1.626) 22.795 4.849 ( 9.604 -11.058 6.702) 16.107 5.008 ( -6.424 -9.789 4.832) 12.667 5.057 ( 8.458 4.886 6.706) 11.848 5.175 ( -4.008 2.232 4.511) 6.434 5.203 ( 7.425 3.359 -2.596) 8.552 5.380 ( -8.440 4.010 -3.383) 9.937 5.619 ( 10.468 -1.484 -9.542) 14.241 5.795 ( -6.611 -0.550 -2.785) 7.195 6.021 ( 2.507 5.692 10.709) 12.385 6.121 ( -6.878 1.756 -0.308) 7.105 6.616 ( 14.661 -2.935 9.751) 17.850 6.817 ( -5.639 -4.320 7.097) 10.041 7.049 ( 4.514 6.469 1.903) 8.114 7.120 ( 3.905 3.781 -1.074) 5.540 7.266 ( 9.166 6.947 0.317) 11.505 7.302 ( 4.178 -5.919 -1.588) 7.417 7.385 ( 1.963 -9.499 0.238) 9.703 7.436 ( -5.708 0.747 -1.645) 5.987 7.502 ( -2.707 -2.265 -3.338) 4.858 7.683 ( -16.736 -6.627 -13.092) 22.258 8.338 ( 5.906 -0.685 -1.970) 6.263 8.459 ( -6.573 0.553 -1.571) 6.781 16.299 ( 2.923 -1.037 0.663) 3.172 16.315 ( 1.242 -1.353 0.083) 1.838 17.011 ( 0.492 0.091 -1.259) 1.355 17.027 ( -1.317 -0.268 -1.048) 1.704 22.810 ( 0.275 1.420 0.012) 1.447 22.817 ( -0.363 1.296 0.033) 1.346 26.210 ( 0.508 -0.429 0.047) 0.666 26.230 ( -1.520 -0.863 0.179) 1.757 34.995 ( 10.090 5.796 -2.762) 11.959 35.131 ( -3.464 4.045 -2.557) 5.908 37.271 ( 8.038 -7.287 3.783) 11.490 37.490 ( -13.991 -10.779 3.941) 18.096 ======================= Grid point 351 (116/125) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.000 6.057 3.195) 6.848 1.735 ( 0.000 -5.799 0.456) 5.817 2.100 ( 0.000 3.067 8.348) 8.893 2.166 ( 0.000 -0.918 2.370) 2.541 2.280 ( 0.000 1.439 -5.021) 5.223 2.371 ( 0.000 -2.856 -3.019) 4.156 3.155 ( 0.000 5.351 -1.610) 5.588 3.488 ( 0.000 -9.683 -0.362) 9.690 3.908 ( 0.000 41.518 -0.292) 41.519 4.121 ( 0.000 13.608 0.629) 13.623 4.642 ( 0.000 -11.826 4.324) 12.592 5.215 ( 0.000 8.583 2.841) 9.041 5.296 ( 0.000 5.967 -4.559) 7.509 5.338 ( 0.000 -18.618 5.840) 19.512 5.359 ( 0.000 -3.399 0.564) 3.446 5.661 ( 0.000 -4.808 -2.670) 5.499 6.328 ( 0.000 6.471 0.248) 6.476 6.439 ( 0.000 -4.540 10.778) 11.695 6.511 ( 0.000 -6.486 4.338) 7.803 6.628 ( 0.000 12.297 -0.005) 12.297 6.701 ( 0.000 -3.682 -0.631) 3.736 7.045 ( 0.000 10.146 6.871) 12.254 7.048 ( 0.000 -7.063 -0.101) 7.064 7.134 ( 0.000 0.206 0.193) 0.283 7.225 ( 0.000 13.110 -9.395) 16.129 7.315 ( 0.000 -6.386 0.110) 6.387 7.552 ( 0.000 -12.393 13.048) 17.995 7.933 ( 0.000 -14.591 -3.435) 14.990 8.654 ( 0.000 11.947 -14.728) 18.964 8.966 ( 0.000 -2.452 -5.666) 6.174 15.923 ( 0.000 1.396 -0.058) 1.397 15.982 ( 0.000 -1.308 -0.084) 1.310 17.050 ( 0.000 1.854 -1.412) 2.330 17.148 ( 0.000 -2.950 -0.550) 3.001 22.837 ( 0.000 1.433 -0.278) 1.460 22.857 ( 0.000 0.525 -0.193) 0.560 26.281 ( 0.000 0.776 0.104) 0.782 26.328 ( 0.000 -1.568 0.578) 1.671 34.240 ( 0.000 7.796 0.572) 7.817 34.590 ( 0.000 -8.367 0.641) 8.392 37.467 ( 0.000 8.976 3.565) 9.658 38.080 ( 0.000 -19.908 4.353) 20.378 ======================= Grid point 352 (117/125) ======================= q-point: ( 0.11 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 18.996 4.313 1.619) 19.547 1.882 ( 13.119 -4.491 0.276) 13.869 2.105 ( 0.704 3.426 7.729) 8.484 2.180 ( 1.664 -0.929 2.345) 3.021 2.282 ( 0.350 1.120 -4.373) 4.528 2.363 ( -0.191 -2.903 -2.819) 4.051 3.330 ( 14.155 8.299 -0.973) 16.437 3.553 ( 4.998 -2.449 -0.422) 5.582 3.964 ( 6.711 34.650 0.337) 35.295 4.196 ( 8.388 8.815 1.165) 12.224 4.669 ( 3.181 -10.348 4.235) 11.625 5.180 ( -2.867 0.386 3.426) 4.484 5.282 ( -0.470 -1.753 -1.610) 2.426 5.325 ( 0.079 1.901 -1.636) 2.509 5.487 ( 9.613 -8.681 4.187) 13.613 5.671 ( 0.940 -3.759 -2.845) 4.807 6.260 ( -4.812 8.761 -0.371) 10.002 6.373 ( -5.787 -4.418 10.898) 13.106 6.496 ( -0.740 -7.512 3.703) 8.408 6.616 ( -6.717 -2.862 -1.530) 7.460 6.767 ( 11.086 12.009 0.479) 16.350 6.995 ( -3.452 6.559 3.519) 8.205 7.116 ( 1.927 2.120 2.381) 3.725 7.172 ( 4.315 -2.750 0.113) 5.118 7.248 ( 2.827 6.805 -3.863) 8.320 7.329 ( 1.126 -5.818 -2.075) 6.279 7.559 ( 0.968 -11.438 11.830) 16.484 7.909 ( -2.263 -14.307 -4.839) 15.271 8.600 ( -5.265 11.886 -13.963) 19.078 8.915 ( -5.089 -2.400 -5.115) 7.604 15.967 ( 4.270 1.189 -0.026) 4.432 16.023 ( 3.966 -1.392 -0.062) 4.204 17.042 ( -0.720 1.685 -1.405) 2.309 17.130 ( -1.715 -2.613 -0.567) 3.176 22.837 ( -0.040 1.405 -0.233) 1.425 22.855 ( -0.162 0.552 -0.153) 0.595 26.268 ( -1.254 0.746 0.111) 1.463 26.314 ( -1.341 -1.547 0.544) 2.118 34.342 ( 9.943 7.739 0.083) 12.600 34.680 ( 8.691 -7.763 0.347) 11.658 37.413 ( -5.266 8.282 3.545) 10.435 37.997 ( -8.226 -19.094 4.339) 21.239 ======================= Grid point 353 (118/125) ======================= q-point: ( 0.22 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 12.624 1.391 1.845) 12.834 2.105 ( 6.938 -0.272 2.893) 7.521 2.164 ( 8.089 2.632 1.102) 8.577 2.251 ( 5.396 -1.332 1.060) 5.658 2.306 ( 3.063 1.313 -2.005) 3.889 2.410 ( 7.639 -3.655 -1.581) 8.615 3.535 ( 5.116 24.120 -0.894) 24.673 3.617 ( 1.020 11.447 -0.485) 11.502 4.184 ( 13.486 6.813 3.583) 15.528 4.447 ( 15.585 -1.607 1.332) 15.724 4.804 ( 11.721 -3.445 4.641) 13.069 5.122 ( -2.845 -3.350 4.093) 6.006 5.273 ( -0.585 -0.221 -1.596) 1.714 5.333 ( 0.817 2.367 -4.379) 5.044 5.686 ( 0.076 -0.773 -3.090) 3.186 5.698 ( 10.445 -7.832 4.166) 13.703 6.200 ( -0.205 8.542 -0.611) 8.566 6.242 ( -6.506 0.506 11.450) 13.179 6.451 ( -6.054 -2.595 0.251) 6.592 6.550 ( 3.645 -7.004 0.101) 7.896 6.910 ( -3.516 4.754 2.266) 6.332 7.009 ( 11.265 9.093 -0.167) 14.478 7.121 ( -0.646 3.583 3.438) 5.008 7.228 ( 1.318 0.059 0.055) 1.320 7.290 ( -0.126 -5.700 3.496) 6.688 7.384 ( 4.048 -0.045 -3.689) 5.476 7.599 ( 2.979 -8.830 7.266) 11.817 7.851 ( -3.580 -13.686 -7.995) 16.249 8.465 ( -7.863 11.166 -11.418) 17.801 8.778 ( -8.542 -2.449 -4.011) 9.749 16.076 ( 6.425 0.635 0.150) 6.458 16.122 ( 5.671 -1.478 -0.037) 5.860 17.027 ( -0.740 1.229 -1.379) 1.990 17.088 ( -2.288 -1.786 -0.683) 2.982 22.836 ( -0.035 1.323 -0.132) 1.330 22.851 ( -0.263 0.628 -0.068) 0.684 26.239 ( -1.575 0.599 0.104) 1.688 26.280 ( -1.990 -1.424 0.440) 2.486 34.597 ( 15.065 7.602 -0.892) 16.898 34.895 ( 12.205 -5.794 -0.408) 13.516 37.283 ( -7.267 5.998 3.535) 10.064 37.780 ( -13.273 -16.899 4.264) 21.907 ======================= Grid point 354 (119/125) ======================= q-point: ( 0.33 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 1.955 3.180 3.573) 5.167 2.185 ( 1.382 0.147 0.632) 1.527 2.289 ( 2.204 -0.909 0.271) 2.399 2.308 ( 1.342 -1.477 -0.060) 1.996 2.522 ( 15.131 2.590 -0.380) 15.356 2.648 ( 12.510 -3.169 -0.402) 12.911 3.568 ( -0.371 31.609 -1.117) 31.631 3.607 ( -1.543 20.384 -0.536) 20.450 4.399 ( 8.515 -11.840 5.367) 15.540 4.690 ( 6.427 -14.291 2.555) 15.877 5.093 ( 3.010 1.978 5.017) 6.176 5.098 ( 13.298 3.273 6.834) 15.305 5.257 ( -1.132 1.163 -0.254) 1.643 5.373 ( 4.084 0.743 -9.301) 10.186 5.654 ( -3.462 2.718 -4.174) 6.065 5.804 ( -0.847 -8.329 -0.819) 8.412 6.153 ( -1.686 7.436 9.743) 12.372 6.272 ( 1.764 4.901 5.149) 7.325 6.372 ( 3.928 1.748 1.538) 4.566 6.704 ( 9.066 -11.008 5.897) 15.432 6.855 ( 0.737 1.614 -3.630) 4.040 7.100 ( -0.661 -1.927 2.762) 3.432 7.185 ( 4.320 -0.401 1.137) 4.485 7.237 ( -0.383 -1.797 1.622) 2.451 7.322 ( 5.215 7.635 0.528) 9.261 7.412 ( -1.139 0.206 -2.390) 2.656 7.634 ( -1.439 -3.925 1.181) 4.344 7.768 ( -4.874 -10.377 -9.659) 14.991 8.331 ( -4.501 7.214 -6.838) 10.912 8.599 ( -9.264 -2.869 -3.100) 10.181 16.199 ( 5.645 -0.057 0.437) 5.662 16.226 ( 4.640 -1.337 0.026) 4.829 17.016 ( -0.349 0.641 -1.340) 1.526 17.047 ( -1.776 -0.884 -0.943) 2.196 22.836 ( 0.026 1.197 -0.035) 1.198 22.845 ( -0.278 0.743 0.004) 0.794 26.213 ( -0.981 0.275 0.075) 1.022 26.242 ( -1.795 -1.127 0.289) 2.139 34.891 ( 14.132 7.172 -1.660) 15.934 35.110 ( 8.685 -2.222 -1.271) 9.054 37.162 ( -4.210 1.727 3.622) 5.817 37.509 ( -13.705 -13.726 4.114) 19.828 ======================= Grid point 355 (120/125) ======================= q-point: ( 0.44 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 1.586 2.615 1.388) 3.359 2.191 ( -0.584 1.430 0.257) 1.566 2.318 ( 0.955 -1.212 1.932) 2.473 2.325 ( 0.300 -1.513 1.353) 2.052 2.757 ( 8.003 1.096 -0.216) 8.081 2.810 ( 3.027 -1.386 -0.172) 3.333 3.557 ( -0.125 30.721 -1.054) 30.739 3.573 ( -1.578 26.184 -0.744) 26.242 4.549 ( 7.343 -17.547 4.782) 19.613 4.681 ( -5.320 -19.722 3.981) 20.812 5.161 ( 4.021 4.254 7.413) 9.445 5.221 ( -2.181 1.881 5.492) 6.201 5.329 ( 9.070 6.415 -1.518) 11.213 5.457 ( -0.847 1.605 -2.995) 3.502 5.600 ( 2.137 0.598 -9.309) 9.570 5.716 ( -6.531 -5.411 -5.356) 10.031 6.163 ( 2.015 7.793 6.342) 10.247 6.217 ( -3.418 5.820 3.096) 7.426 6.570 ( 10.058 -1.445 13.463) 16.867 6.710 ( -4.641 -6.257 13.247) 15.368 7.076 ( 14.734 -4.347 -4.987) 16.151 7.136 ( 5.204 -3.817 -2.027) 6.765 7.213 ( -1.601 -1.744 2.639) 3.545 7.233 ( 1.045 -0.623 -1.331) 1.803 7.301 ( -4.856 -2.600 -4.103) 6.868 7.435 ( -6.239 -0.849 -8.508) 10.585 7.551 ( 1.645 3.540 -3.068) 4.965 7.664 ( -5.984 4.709 -2.861) 8.135 8.322 ( 3.288 -0.170 -3.224) 4.608 8.432 ( -7.434 -2.998 -2.610) 8.430 16.281 ( 2.461 -0.621 0.518) 2.590 16.290 ( 1.556 -1.022 0.258) 1.879 17.013 ( 0.089 0.145 -1.307) 1.318 17.022 ( -0.834 -0.260 -1.206) 1.490 22.837 ( 0.122 1.044 0.022) 1.051 22.840 ( -0.220 0.887 0.035) 0.914 26.203 ( 0.017 -0.182 0.077) 0.198 26.213 ( -1.030 -0.682 0.151) 1.245 35.118 ( 8.456 5.675 -1.997) 10.377 35.202 ( 0.239 2.277 -1.868) 2.955 37.145 ( 2.830 -4.087 3.789) 6.251 37.272 ( -9.826 -9.558 3.949) 14.265 ======================= Grid point 360 (121/125) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.000 -6.819 2.004) 7.108 1.603 ( 0.000 6.819 2.004) 7.108 2.143 ( 0.000 -1.396 5.589) 5.761 2.143 ( 0.000 1.396 5.589) 5.761 2.319 ( 0.000 -2.224 -4.474) 4.996 2.319 ( 0.000 2.224 -4.474) 4.996 3.298 ( 0.000 -8.414 -1.019) 8.475 3.298 ( 0.000 8.414 -1.019) 8.475 4.371 ( 0.000 -10.165 3.379) 10.712 4.371 ( 0.000 10.165 3.379) 10.712 4.754 ( 0.000 -34.835 0.370) 34.837 4.754 ( 0.000 34.835 0.370) 34.837 5.297 ( 0.000 -2.722 1.259) 2.999 5.297 ( 0.000 2.722 1.259) 2.999 5.503 ( 0.000 -10.252 -3.217) 10.744 5.503 ( 0.000 10.252 -3.217) 10.745 6.370 ( 0.000 -4.522 6.926) 8.271 6.370 ( 0.000 4.522 6.926) 8.271 6.585 ( 0.000 -7.796 1.808) 8.002 6.585 ( 0.000 7.796 1.808) 8.002 6.863 ( 0.000 -10.479 -0.031) 10.479 6.863 ( 0.000 10.479 -0.031) 10.479 7.194 ( 0.000 -4.934 0.134) 4.936 7.194 ( 0.000 4.934 0.134) 4.936 7.270 ( 0.000 -11.222 10.452) 15.336 7.270 ( 0.000 11.222 10.452) 15.336 7.586 ( 0.000 -17.290 -8.296) 19.177 7.586 ( 0.000 17.290 -8.296) 19.177 8.863 ( 0.000 -7.778 -8.392) 11.442 8.863 ( 0.000 7.778 -8.392) 11.442 15.953 ( 0.000 -1.461 -0.069) 1.462 15.953 ( 0.000 1.461 -0.069) 1.462 17.093 ( 0.000 -2.359 -0.993) 2.559 17.093 ( 0.000 2.359 -0.993) 2.559 22.857 ( 0.000 -0.493 -0.252) 0.554 22.857 ( 0.000 0.493 -0.252) 0.554 26.300 ( 0.000 -1.102 0.337) 1.152 26.300 ( 0.000 1.102 0.337) 1.152 34.412 ( 0.000 -8.748 0.601) 8.769 34.412 ( 0.000 8.748 0.601) 8.769 37.716 ( 0.000 -15.207 4.144) 15.762 37.716 ( 0.000 15.207 4.144) 15.762 ======================= Grid point 362 (122/125) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 15.909 -5.112 1.125) 16.748 1.781 ( 15.909 5.112 1.125) 16.748 2.155 ( 1.381 -1.630 5.584) 5.979 2.155 ( 1.381 1.630 5.584) 5.979 2.314 ( -0.146 -1.933 -4.344) 4.757 2.314 ( -0.146 1.933 -4.344) 4.757 3.461 ( 14.606 -5.628 -0.518) 15.661 3.461 ( 14.606 5.628 -0.518) 15.661 4.377 ( 0.367 -6.502 3.651) 7.466 4.377 ( 0.367 6.502 3.651) 7.466 4.778 ( 3.092 -29.449 0.451) 29.615 4.778 ( 3.092 29.449 0.451) 29.615 5.307 ( 0.591 -3.128 0.737) 3.267 5.307 ( 0.591 3.128 0.737) 3.267 5.539 ( 3.816 -8.446 -3.149) 9.789 5.539 ( 3.816 8.446 -3.149) 9.789 6.347 ( -1.691 -5.429 6.219) 8.426 6.347 ( -1.691 5.429 6.219) 8.426 6.500 ( -6.267 -8.001 2.188) 10.396 6.500 ( -6.267 8.001 2.188) 10.396 6.980 ( 8.759 -8.249 0.475) 12.041 6.980 ( 8.759 8.249 0.475) 12.041 7.159 ( -3.119 -4.684 3.763) 6.770 7.159 ( -3.119 4.684 3.763) 6.770 7.291 ( 2.150 -8.439 6.023) 10.588 7.291 ( 2.150 8.439 6.023) 10.589 7.582 ( -0.387 -15.589 -8.262) 17.647 7.582 ( -0.387 15.589 -8.262) 17.647 8.810 ( -5.242 -7.897 -7.873) 12.322 8.810 ( -5.242 7.897 -7.873) 12.322 15.994 ( 3.970 -1.391 -0.028) 4.207 15.994 ( 3.970 1.391 -0.028) 4.207 17.081 ( -1.134 -2.115 -1.012) 2.605 17.081 ( -1.134 2.115 -1.012) 2.605 22.856 ( -0.101 -0.462 -0.208) 0.517 22.856 ( -0.101 0.462 -0.208) 0.517 26.287 ( -1.304 -1.095 0.325) 1.733 26.287 ( -1.304 1.095 0.325) 1.733 34.511 ( 9.626 -8.473 0.269) 12.827 34.511 ( 9.626 8.473 0.269) 12.827 37.647 ( -6.708 -14.527 4.096) 16.517 37.647 ( -6.708 14.527 4.096) 16.517 ======================= Grid point 364 (123/125) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 10.261 -1.147 1.384) 10.417 2.086 ( 10.261 1.147 1.384) 10.417 2.218 ( 5.928 -2.098 2.775) 6.873 2.218 ( 5.928 2.098 2.775) 6.873 2.345 ( 5.660 -2.512 -2.578) 6.708 2.345 ( 5.660 2.512 -2.578) 6.708 3.757 ( 13.200 -0.884 0.120) 13.230 3.757 ( 13.200 0.884 0.120) 13.230 4.372 ( -1.236 -7.072 3.617) 8.039 4.372 ( -1.236 7.072 3.617) 8.039 4.907 ( 10.250 -13.503 2.223) 17.097 4.907 ( 10.250 13.503 2.223) 17.097 5.312 ( 0.083 -3.382 -1.342) 3.640 5.312 ( 0.083 3.382 -1.342) 3.640 5.636 ( 4.983 -2.781 -2.939) 6.419 5.636 ( 4.983 2.781 -2.939) 6.419 6.338 ( 1.451 -7.120 4.560) 8.579 6.338 ( 1.451 7.120 4.560) 8.579 6.388 ( -4.257 -8.479 4.289) 10.412 6.388 ( -4.257 8.479 4.289) 10.412 7.037 ( -4.620 -6.735 3.295) 8.807 7.037 ( -4.620 6.735 3.295) 8.807 7.162 ( 4.057 -4.306 3.141) 6.699 7.162 ( 4.057 4.307 3.141) 6.699 7.374 ( 7.063 -8.980 1.475) 11.520 7.374 ( 7.063 8.980 1.475) 11.520 7.568 ( -1.383 -12.167 -7.828) 14.533 7.568 ( -1.383 12.167 -7.828) 14.533 8.669 ( -8.710 -7.995 -6.547) 13.514 8.669 ( -8.710 7.995 -6.547) 13.514 16.094 ( 5.866 -1.134 0.091) 5.976 16.094 ( 5.866 1.134 0.091) 5.976 17.055 ( -1.412 -1.492 -1.079) 2.320 17.055 ( -1.412 1.492 -1.079) 2.320 22.854 ( -0.151 -0.375 -0.109) 0.419 22.854 ( -0.151 0.375 -0.109) 0.419 26.255 ( -1.793 -0.997 0.272) 2.069 26.255 ( -1.793 0.997 0.272) 2.069 34.755 ( 14.340 -7.577 -0.473) 16.226 34.755 ( 14.340 7.577 -0.473) 16.226 37.473 ( -10.420 -12.465 3.979) 16.726 37.473 ( -10.420 12.465 3.979) 16.726 ======================= Grid point 366 (124/125) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 2.091 -1.125 2.300) 3.305 2.176 ( 2.091 1.125 2.300) 3.305 2.287 ( 1.518 -0.637 -0.256) 1.666 2.287 ( 1.518 0.637 -0.256) 1.666 2.583 ( 13.800 -3.176 -0.373) 14.166 2.583 ( 13.800 3.176 -0.373) 14.166 3.942 ( 6.111 -7.234 0.079) 9.470 3.942 ( 6.111 7.234 0.079) 9.470 4.326 ( -3.205 -15.643 3.252) 16.296 4.326 ( -3.205 15.643 3.252) 16.296 5.127 ( 9.817 -0.548 7.304) 12.248 5.127 ( 9.817 0.548 7.304) 12.248 5.329 ( 2.556 -4.955 -5.469) 7.810 5.329 ( 2.556 4.955 -5.469) 7.810 5.686 ( -0.410 -1.870 -3.578) 4.057 5.686 ( -0.410 1.870 -3.578) 4.057 6.306 ( -2.313 -4.156 0.650) 4.800 6.306 ( -2.313 4.156 0.650) 4.800 6.464 ( 8.679 -10.270 12.801) 18.565 6.464 ( 8.679 10.270 12.801) 18.565 6.953 ( -1.773 -7.553 -1.103) 7.836 6.953 ( -1.773 7.553 -1.103) 7.836 7.208 ( 0.969 -1.600 2.583) 3.189 7.208 ( 0.969 1.600 2.583) 3.189 7.493 ( -3.549 -6.188 -5.808) 9.199 7.493 ( -3.549 6.188 -5.808) 9.199 7.554 ( 6.636 -10.301 -1.916) 12.402 7.554 ( 6.636 10.301 -1.916) 12.402 8.491 ( -8.821 -7.243 -4.880) 12.413 8.491 ( -8.821 7.243 -4.880) 12.413 16.205 ( 5.031 -0.687 0.257) 5.085 16.205 ( 5.031 0.687 0.257) 5.085 17.030 ( -1.004 -0.761 -1.193) 1.735 17.030 ( -1.004 0.761 -1.193) 1.735 22.851 ( -0.129 -0.244 -0.018) 0.276 22.851 ( -0.129 0.244 -0.018) 0.276 26.223 ( -1.395 -0.709 0.182) 1.575 26.223 ( -1.395 0.709 0.182) 1.575 35.027 ( 12.419 -5.686 -1.187) 13.710 35.027 ( 12.419 5.686 -1.187) 13.710 37.271 ( -9.466 -8.828 3.873) 13.511 37.271 ( -9.466 8.828 3.873) 13.511 ======================= Grid point 368 (125/125) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( 0.617 -0.534 0.671) 1.056 2.201 ( 0.617 0.534 0.671) 1.056 2.306 ( 0.551 -0.191 1.613) 1.715 2.306 ( 0.551 0.191 1.613) 1.715 2.782 ( 5.568 -1.292 -0.195) 5.719 2.782 ( 5.568 1.292 -0.195) 5.719 4.020 ( 2.154 -6.086 -0.688) 6.492 4.020 ( 2.154 6.086 -0.688) 6.492 4.265 ( -2.280 -9.690 3.659) 10.606 4.265 ( -2.280 9.690 3.659) 10.606 5.227 ( 1.465 -1.724 7.440) 7.776 5.227 ( 1.465 1.724 7.440) 7.776 5.430 ( 5.747 -3.549 -3.020) 7.399 5.430 ( 5.747 3.549 -3.020) 7.399 5.635 ( -3.601 -2.356 -6.275) 7.609 5.635 ( -3.601 2.356 -6.275) 7.609 6.281 ( -0.477 -1.567 0.561) 1.732 6.281 ( -0.477 1.567 0.561) 1.732 6.584 ( 2.212 -4.145 20.032) 20.576 6.584 ( 2.212 4.145 20.032) 20.576 7.041 ( 9.963 -2.436 -5.445) 11.612 7.041 ( 9.963 2.436 -5.446) 11.612 7.216 ( 0.087 -1.711 -0.992) 1.980 7.216 ( 0.087 1.711 -0.992) 1.980 7.338 ( -10.115 -4.629 -7.591) 13.467 7.338 ( -10.115 4.629 -7.591) 13.467 7.677 ( 3.806 -4.144 -0.580) 5.656 7.677 ( 3.806 4.144 -0.580) 5.656 8.357 ( -4.034 -3.488 -3.551) 6.406 8.357 ( -4.034 3.488 -3.551) 6.406 16.276 ( 1.979 -0.216 0.391) 2.029 16.276 ( 1.979 0.216 0.391) 2.029 17.017 ( -0.360 -0.205 -1.298) 1.362 17.017 ( -0.360 0.205 -1.298) 1.362 22.849 ( -0.050 -0.084 0.031) 0.103 22.849 ( -0.050 0.084 0.031) 0.103 26.204 ( -0.509 -0.256 0.112) 0.580 26.204 ( -0.509 0.256 0.112) 0.580 35.204 ( 4.933 -2.224 -1.610) 5.646 35.204 ( 4.933 2.224 -1.610) 5.646 37.134 ( -3.883 -3.304 3.836) 6.381 37.134 ( -3.883 3.304 3.836) 6.381 =================== 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 3/27216 10.0 361.459 502.584 569.001 0.000 0.000 0.000 3/27216 20.0 141.925 96.177 104.117 0.000 0.000 0.000 3/27216 30.0 72.058 42.390 45.340 0.000 0.000 0.000 3/27216 40.0 40.531 24.709 25.258 0.000 0.000 0.000 3/27216 50.0 25.817 16.641 16.387 0.000 0.000 0.000 3/27216 60.0 18.213 12.319 11.814 0.000 0.000 0.000 3/27216 70.0 13.872 9.740 9.174 0.000 0.000 0.000 3/27216 80.0 11.166 8.066 7.505 0.000 0.000 0.000 3/27216 90.0 9.352 6.905 6.368 0.000 0.000 0.000 3/27216 100.0 8.063 6.053 5.549 0.000 0.000 0.000 3/27216 110.0 7.103 5.402 4.929 0.000 0.000 0.000 3/27216 120.0 6.359 4.886 4.444 0.000 0.000 0.000 3/27216 130.0 5.766 4.467 4.052 0.000 0.000 0.000 3/27216 140.0 5.281 4.118 3.728 0.000 0.000 0.000 3/27216 150.0 4.876 3.822 3.456 0.000 0.000 0.000 3/27216 160.0 4.532 3.568 3.223 0.000 0.000 0.000 3/27216 170.0 4.237 3.348 3.022 0.000 0.000 0.000 3/27216 180.0 3.980 3.153 2.845 0.000 0.000 0.000 3/27216 190.0 3.754 2.982 2.689 0.000 0.000 0.000 3/27216 200.0 3.553 2.828 2.551 0.000 0.000 0.000 3/27216 210.0 3.374 2.690 2.426 0.000 0.000 0.000 3/27216 220.0 3.213 2.565 2.314 0.000 0.000 0.000 3/27216 230.0 3.068 2.452 2.212 0.000 0.000 0.000 3/27216 240.0 2.935 2.349 2.120 0.000 0.000 0.000 3/27216 250.0 2.815 2.254 2.035 0.000 0.000 0.000 3/27216 260.0 2.704 2.167 1.957 0.000 0.000 0.000 3/27216 270.0 2.602 2.087 1.885 0.000 0.000 0.000 3/27216 280.0 2.509 2.012 1.819 0.000 0.000 0.000 3/27216 290.0 2.422 1.943 1.757 0.000 0.000 0.000 3/27216 300.0 2.341 1.879 1.700 0.000 0.000 0.000 3/27216 310.0 2.266 1.819 1.646 0.000 0.000 0.000 3/27216 320.0 2.196 1.763 1.597 0.000 0.000 0.000 3/27216 330.0 2.130 1.710 1.550 0.000 0.000 0.000 3/27216 340.0 2.068 1.661 1.506 0.000 0.000 0.000 3/27216 350.0 2.011 1.615 1.465 0.000 0.000 0.000 3/27216 360.0 1.956 1.571 1.426 0.000 0.000 0.000 3/27216 370.0 1.905 1.530 1.389 0.000 0.000 0.000 3/27216 380.0 1.856 1.491 1.355 0.000 0.000 0.000 3/27216 390.0 1.810 1.454 1.322 0.000 0.000 0.000 3/27216 400.0 1.767 1.419 1.291 0.000 0.000 0.000 3/27216 410.0 1.726 1.386 1.261 0.000 0.000 0.000 3/27216 420.0 1.686 1.354 1.233 0.000 0.000 0.000 3/27216 430.0 1.649 1.324 1.206 0.000 0.000 0.000 3/27216 440.0 1.614 1.295 1.181 0.000 0.000 0.000 3/27216 450.0 1.580 1.268 1.157 0.000 0.000 0.000 3/27216 460.0 1.547 1.241 1.133 0.000 0.000 0.000 3/27216 470.0 1.516 1.216 1.111 0.000 0.000 0.000 3/27216 480.0 1.487 1.192 1.090 0.000 0.000 0.000 3/27216 490.0 1.458 1.169 1.069 0.000 0.000 0.000 3/27216 500.0 1.431 1.147 1.050 0.000 0.000 0.000 3/27216 510.0 1.405 1.126 1.031 0.000 0.000 0.000 3/27216 520.0 1.379 1.105 1.013 0.000 0.000 0.000 3/27216 530.0 1.355 1.086 0.995 0.000 0.000 0.000 3/27216 540.0 1.332 1.067 0.979 0.000 0.000 0.000 3/27216 550.0 1.310 1.049 0.962 0.000 0.000 0.000 3/27216 560.0 1.288 1.031 0.947 0.000 0.000 0.000 3/27216 570.0 1.267 1.014 0.932 0.000 0.000 0.000 3/27216 580.0 1.247 0.998 0.917 0.000 0.000 0.000 3/27216 590.0 1.227 0.982 0.903 0.000 0.000 0.000 3/27216 600.0 1.208 0.967 0.890 0.000 0.000 0.000 3/27216 610.0 1.190 0.952 0.876 0.000 0.000 0.000 3/27216 620.0 1.173 0.938 0.864 0.000 0.000 0.000 3/27216 630.0 1.156 0.924 0.851 0.000 0.000 0.000 3/27216 640.0 1.139 0.910 0.839 0.000 0.000 0.000 3/27216 650.0 1.123 0.897 0.828 0.000 0.000 0.000 3/27216 660.0 1.107 0.885 0.816 0.000 0.000 0.000 3/27216 670.0 1.092 0.872 0.806 0.000 0.000 0.000 3/27216 680.0 1.078 0.860 0.795 0.000 0.000 0.000 3/27216 690.0 1.063 0.849 0.785 0.000 0.000 0.000 3/27216 700.0 1.049 0.838 0.775 0.000 0.000 0.000 3/27216 710.0 1.036 0.827 0.765 0.000 0.000 0.000 3/27216 720.0 1.023 0.816 0.755 0.000 0.000 0.000 3/27216 730.0 1.010 0.806 0.746 0.000 0.000 0.000 3/27216 740.0 0.998 0.796 0.737 0.000 0.000 0.000 3/27216 750.0 0.985 0.786 0.728 0.000 0.000 0.000 3/27216 760.0 0.974 0.776 0.720 0.000 0.000 0.000 3/27216 770.0 0.962 0.767 0.711 0.000 0.000 0.000 3/27216 780.0 0.951 0.758 0.703 0.000 0.000 0.000 3/27216 790.0 0.940 0.749 0.695 0.000 0.000 0.000 3/27216 800.0 0.929 0.740 0.688 0.000 0.000 0.000 3/27216 810.0 0.919 0.732 0.680 0.000 0.000 0.000 3/27216 820.0 0.909 0.723 0.673 0.000 0.000 0.000 3/27216 830.0 0.899 0.715 0.665 0.000 0.000 0.000 3/27216 840.0 0.889 0.707 0.658 0.000 0.000 0.000 3/27216 850.0 0.879 0.700 0.651 0.000 0.000 0.000 3/27216 860.0 0.870 0.692 0.645 0.000 0.000 0.000 3/27216 870.0 0.861 0.685 0.638 0.000 0.000 0.000 3/27216 880.0 0.852 0.678 0.632 0.000 0.000 0.000 3/27216 890.0 0.844 0.671 0.625 0.000 0.000 0.000 3/27216 900.0 0.835 0.664 0.619 0.000 0.000 0.000 3/27216 910.0 0.827 0.657 0.613 0.000 0.000 0.000 3/27216 920.0 0.819 0.650 0.607 0.000 0.000 0.000 3/27216 930.0 0.811 0.644 0.601 0.000 0.000 0.000 3/27216 940.0 0.803 0.638 0.596 0.000 0.000 0.000 3/27216 950.0 0.795 0.631 0.590 0.000 0.000 0.000 3/27216 960.0 0.788 0.625 0.584 0.000 0.000 0.000 3/27216 970.0 0.780 0.619 0.579 0.000 0.000 0.000 3/27216 980.0 0.773 0.613 0.574 0.000 0.000 0.000 3/27216 990.0 0.766 0.608 0.569 0.000 0.000 0.000 3/27216 1000.0 0.759 0.602 0.564 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m989.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:05:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|