----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:13:04]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.137011295208754 -4.600765850000000 0.000000000000000 b 4.137011295208754 4.600765850000000 0.000000000000000 c -3.267892479762997 0.000000000000000 5.018007749172874 Atomic positions (fractional): *1 O 0.12512866355757 0.23461596735546 0.20826440946517 15.999 2 O 0.76538403264454 0.87487133644243 0.29173559053483 15.999 3 O 0.23461596735546 0.12512866355757 0.70826440946517 15.999 4 O 0.87487133644243 0.76538403264454 0.79173559053483 15.999 *5 Cs 0.35857113050143 0.64142886949857 0.75000000000000 132.905 6 Cs 0.64142886949857 0.35857113050143 0.25000000000000 132.905 *7 Bi 0.08881330435512 0.91118669564488 0.25000000000000 208.980 8 Bi 0.91118669564488 0.08881330435512 0.75000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.274022590417507 0.000000000000000 0.000000000000000 b 0.000000000000000 9.201531700000000 0.000000000000000 c -3.267892479762997 0.000000000000000 5.018007749172874 Atomic positions (fractional): *1 O 0.17987231545651 0.05474365189894 0.20826440946517 15.999 > 1 2 O 0.82012768454348 0.05474365189894 0.29173559053483 15.999 > 2 3 O 0.17987231545651 0.94525634810106 0.70826440946517 15.999 > 3 4 O 0.82012768454348 0.94525634810106 0.79173559053483 15.999 > 4 5 O 0.67987231545652 0.55474365189894 0.20826440946517 15.999 > 1 6 O 0.32012768454349 0.55474365189894 0.29173559053483 15.999 > 2 7 O 0.67987231545652 0.44525634810106 0.70826440946517 15.999 > 3 8 O 0.32012768454349 0.44525634810106 0.79173559053483 15.999 > 4 *9 Cs 0.50000000000000 0.14142886949857 0.75000000000000 132.905 > 5 10 Cs 0.50000000000000 0.85857113050143 0.25000000000000 132.905 > 6 11 Cs 0.00000000000000 0.64142886949857 0.75000000000000 132.905 > 5 12 Cs 0.00000000000000 0.35857113050143 0.25000000000000 132.905 > 6 *13 Bi 0.50000000000000 0.41118669564488 0.25000000000000 208.980 > 7 14 Bi 0.50000000000000 0.58881330435512 0.75000000000000 208.980 > 8 15 Bi 0.00000000000000 0.91118669564488 0.25000000000000 208.980 > 7 16 Bi 0.00000000000000 0.08881330435512 0.75000000000000 208.980 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.548045180835015 0.000000000000000 0.000000000000000 b 0.000000000000000 18.403063400000001 0.000000000000000 c -6.535784959525994 0.000000000000000 10.036015498345748 Atomic positions (fractional): *1 O 0.08993615772826 0.02737182594947 0.10413220473258 15.999 > 1 2 O 0.58993615772826 0.02737182594947 0.10413220473258 15.999 > 1 3 O 0.08993615772826 0.52737182594947 0.10413220473258 15.999 > 1 4 O 0.58993615772826 0.52737182594947 0.10413220473258 15.999 > 1 5 O 0.08993615772826 0.02737182594947 0.60413220473258 15.999 > 1 6 O 0.58993615772826 0.02737182594947 0.60413220473258 15.999 > 1 7 O 0.08993615772826 0.52737182594947 0.60413220473258 15.999 > 1 8 O 0.58993615772826 0.52737182594947 0.60413220473258 15.999 > 1 9 O 0.41006384227174 0.02737182594947 0.14586779526742 15.999 > 2 10 O 0.91006384227174 0.02737182594947 0.14586779526742 15.999 > 2 11 O 0.41006384227174 0.52737182594947 0.14586779526742 15.999 > 2 12 O 0.91006384227174 0.52737182594947 0.14586779526742 15.999 > 2 13 O 0.41006384227174 0.02737182594947 0.64586779526742 15.999 > 2 14 O 0.91006384227174 0.02737182594947 0.64586779526742 15.999 > 2 15 O 0.41006384227174 0.52737182594947 0.64586779526742 15.999 > 2 16 O 0.91006384227174 0.52737182594947 0.64586779526742 15.999 > 2 17 O 0.08993615772826 0.47262817405053 0.35413220473258 15.999 > 3 18 O 0.58993615772826 0.47262817405053 0.35413220473258 15.999 > 3 19 O 0.08993615772826 0.97262817405053 0.35413220473258 15.999 > 3 20 O 0.58993615772826 0.97262817405053 0.35413220473258 15.999 > 3 21 O 0.08993615772826 0.47262817405053 0.85413220473258 15.999 > 3 22 O 0.58993615772826 0.47262817405053 0.85413220473258 15.999 > 3 23 O 0.08993615772826 0.97262817405053 0.85413220473258 15.999 > 3 24 O 0.58993615772826 0.97262817405053 0.85413220473258 15.999 > 3 25 O 0.41006384227174 0.47262817405053 0.39586779526742 15.999 > 4 26 O 0.91006384227174 0.47262817405053 0.39586779526742 15.999 > 4 27 O 0.41006384227174 0.97262817405053 0.39586779526742 15.999 > 4 28 O 0.91006384227174 0.97262817405053 0.39586779526742 15.999 > 4 29 O 0.41006384227174 0.47262817405053 0.89586779526742 15.999 > 4 30 O 0.91006384227174 0.47262817405053 0.89586779526742 15.999 > 4 31 O 0.41006384227174 0.97262817405053 0.89586779526742 15.999 > 4 32 O 0.91006384227174 0.97262817405053 0.89586779526742 15.999 > 4 33 O 0.33993615772826 0.27737182594947 0.10413220473258 15.999 > 1 34 O 0.83993615772826 0.27737182594947 0.10413220473258 15.999 > 1 35 O 0.33993615772826 0.77737182594947 0.10413220473258 15.999 > 1 36 O 0.83993615772826 0.77737182594947 0.10413220473258 15.999 > 1 37 O 0.33993615772826 0.27737182594947 0.60413220473258 15.999 > 1 38 O 0.83993615772826 0.27737182594947 0.60413220473258 15.999 > 1 39 O 0.33993615772826 0.77737182594947 0.60413220473258 15.999 > 1 40 O 0.83993615772826 0.77737182594947 0.60413220473258 15.999 > 1 41 O 0.16006384227174 0.27737182594947 0.14586779526742 15.999 > 2 42 O 0.66006384227174 0.27737182594947 0.14586779526742 15.999 > 2 43 O 0.16006384227174 0.77737182594947 0.14586779526742 15.999 > 2 44 O 0.66006384227174 0.77737182594947 0.14586779526742 15.999 > 2 45 O 0.16006384227174 0.27737182594947 0.64586779526742 15.999 > 2 46 O 0.66006384227174 0.27737182594947 0.64586779526742 15.999 > 2 47 O 0.16006384227174 0.77737182594947 0.64586779526742 15.999 > 2 48 O 0.66006384227174 0.77737182594947 0.64586779526742 15.999 > 2 49 O 0.33993615772826 0.22262817405053 0.35413220473258 15.999 > 3 50 O 0.83993615772826 0.22262817405053 0.35413220473258 15.999 > 3 51 O 0.33993615772826 0.72262817405053 0.35413220473258 15.999 > 3 52 O 0.83993615772826 0.72262817405053 0.35413220473258 15.999 > 3 53 O 0.33993615772826 0.22262817405053 0.85413220473258 15.999 > 3 54 O 0.83993615772826 0.22262817405053 0.85413220473258 15.999 > 3 55 O 0.33993615772826 0.72262817405053 0.85413220473258 15.999 > 3 56 O 0.83993615772826 0.72262817405053 0.85413220473258 15.999 > 3 57 O 0.16006384227174 0.22262817405053 0.39586779526742 15.999 > 4 58 O 0.66006384227174 0.22262817405053 0.39586779526742 15.999 > 4 59 O 0.16006384227174 0.72262817405053 0.39586779526742 15.999 > 4 60 O 0.66006384227174 0.72262817405053 0.39586779526742 15.999 > 4 61 O 0.16006384227174 0.22262817405053 0.89586779526742 15.999 > 4 62 O 0.66006384227174 0.22262817405053 0.89586779526742 15.999 > 4 63 O 0.16006384227174 0.72262817405053 0.89586779526742 15.999 > 4 64 O 0.66006384227174 0.72262817405053 0.89586779526742 15.999 > 4 *65 Cs 0.25000000000000 0.07071443474928 0.37500000000000 132.905 > 5 66 Cs 0.75000000000000 0.07071443474928 0.37500000000000 132.905 > 5 67 Cs 0.25000000000000 0.57071443474928 0.37500000000000 132.905 > 5 68 Cs 0.75000000000000 0.57071443474928 0.37500000000000 132.905 > 5 69 Cs 0.25000000000000 0.07071443474928 0.87500000000000 132.905 > 5 70 Cs 0.75000000000000 0.07071443474928 0.87500000000000 132.905 > 5 71 Cs 0.25000000000000 0.57071443474928 0.87500000000000 132.905 > 5 72 Cs 0.75000000000000 0.57071443474928 0.87500000000000 132.905 > 5 73 Cs 0.25000000000000 0.42928556525072 0.12500000000000 132.905 > 6 74 Cs 0.75000000000000 0.42928556525072 0.12500000000000 132.905 > 6 75 Cs 0.25000000000000 0.92928556525072 0.12500000000000 132.905 > 6 76 Cs 0.75000000000000 0.92928556525072 0.12500000000000 132.905 > 6 77 Cs 0.25000000000000 0.42928556525072 0.62500000000000 132.905 > 6 78 Cs 0.75000000000000 0.42928556525072 0.62500000000000 132.905 > 6 79 Cs 0.25000000000000 0.92928556525072 0.62500000000000 132.905 > 6 80 Cs 0.75000000000000 0.92928556525072 0.62500000000000 132.905 > 6 81 Cs 0.00000000000000 0.32071443474928 0.37500000000000 132.905 > 5 82 Cs 0.50000000000000 0.32071443474928 0.37500000000000 132.905 > 5 83 Cs 0.00000000000000 0.82071443474928 0.37500000000000 132.905 > 5 84 Cs 0.50000000000000 0.82071443474928 0.37500000000000 132.905 > 5 85 Cs 0.00000000000000 0.32071443474928 0.87500000000000 132.905 > 5 86 Cs 0.50000000000000 0.32071443474928 0.87500000000000 132.905 > 5 87 Cs 0.00000000000000 0.82071443474928 0.87500000000000 132.905 > 5 88 Cs 0.50000000000000 0.82071443474928 0.87500000000000 132.905 > 5 89 Cs 0.00000000000000 0.17928556525072 0.12500000000000 132.905 > 6 90 Cs 0.50000000000000 0.17928556525072 0.12500000000000 132.905 > 6 91 Cs 0.00000000000000 0.67928556525072 0.12500000000000 132.905 > 6 92 Cs 0.50000000000000 0.67928556525072 0.12500000000000 132.905 > 6 93 Cs 0.00000000000000 0.17928556525072 0.62500000000000 132.905 > 6 94 Cs 0.50000000000000 0.17928556525072 0.62500000000000 132.905 > 6 95 Cs 0.00000000000000 0.67928556525072 0.62500000000000 132.905 > 6 96 Cs 0.50000000000000 0.67928556525072 0.62500000000000 132.905 > 6 *97 Bi 0.25000000000000 0.20559334782244 0.12500000000000 208.980 > 7 98 Bi 0.75000000000000 0.20559334782244 0.12500000000000 208.980 > 7 99 Bi 0.25000000000000 0.70559334782244 0.12500000000000 208.980 > 7 100 Bi 0.75000000000000 0.70559334782244 0.12500000000000 208.980 > 7 101 Bi 0.25000000000000 0.20559334782244 0.62500000000000 208.980 > 7 102 Bi 0.75000000000000 0.20559334782244 0.62500000000000 208.980 > 7 103 Bi 0.25000000000000 0.70559334782244 0.62500000000000 208.980 > 7 104 Bi 0.75000000000000 0.70559334782244 0.62500000000000 208.980 > 7 105 Bi 0.25000000000000 0.29440665217756 0.37500000000000 208.980 > 8 106 Bi 0.75000000000000 0.29440665217756 0.37500000000000 208.980 > 8 107 Bi 0.25000000000000 0.79440665217756 0.37500000000000 208.980 > 8 108 Bi 0.75000000000000 0.79440665217756 0.37500000000000 208.980 > 8 109 Bi 0.25000000000000 0.29440665217756 0.87500000000000 208.980 > 8 110 Bi 0.75000000000000 0.29440665217756 0.87500000000000 208.980 > 8 111 Bi 0.25000000000000 0.79440665217756 0.87500000000000 208.980 > 8 112 Bi 0.75000000000000 0.79440665217756 0.87500000000000 208.980 > 8 113 Bi 0.00000000000000 0.45559334782244 0.12500000000000 208.980 > 7 114 Bi 0.50000000000000 0.45559334782244 0.12500000000000 208.980 > 7 115 Bi 0.00000000000000 0.95559334782244 0.12500000000000 208.980 > 7 116 Bi 0.50000000000000 0.95559334782244 0.12500000000000 208.980 > 7 117 Bi 0.00000000000000 0.45559334782244 0.62500000000000 208.980 > 7 118 Bi 0.50000000000000 0.45559334782244 0.62500000000000 208.980 > 7 119 Bi 0.00000000000000 0.95559334782244 0.62500000000000 208.980 > 7 120 Bi 0.50000000000000 0.95559334782244 0.62500000000000 208.980 > 7 121 Bi 0.00000000000000 0.04440665217756 0.37500000000000 208.980 > 8 122 Bi 0.50000000000000 0.04440665217756 0.37500000000000 208.980 > 8 123 Bi 0.00000000000000 0.54440665217756 0.37500000000000 208.980 > 8 124 Bi 0.50000000000000 0.54440665217756 0.37500000000000 208.980 > 8 125 Bi 0.00000000000000 0.04440665217756 0.87500000000000 208.980 > 8 126 Bi 0.50000000000000 0.04440665217756 0.87500000000000 208.980 > 8 127 Bi 0.00000000000000 0.54440665217756 0.87500000000000 208.980 > 8 128 Bi 0.50000000000000 0.54440665217756 0.87500000000000 208.980 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8647459 0.0000000 -0.5318714 0.0000000 3.5503247 0.0000000 -0.5318711 0.0000000 4.5940461 -------------------------- Born effective charges -------------------------- 1 O -2.0502105 -0.8352031 0.5255592 -0.3368120 -1.4911219 0.0702951 0.5544027 0.7338007 -2.8511736 2 O -2.0502105 0.8352031 0.5255592 0.3368120 -1.4911219 -0.0702951 0.5544027 -0.7338007 -2.8511736 3 O -2.0502105 0.8352031 0.5255592 0.3368120 -1.4911219 -0.0702951 0.5544027 -0.7338007 -2.8511736 4 O -2.0502105 -0.8352031 0.5255592 -0.3368120 -1.4911219 0.0702951 0.5544027 0.7338007 -2.8511736 5 Cs 1.4076465 0.0000000 0.3114480 0.0000000 1.3597763 0.0000000 0.2897097 0.0000000 1.4249451 6 Cs 1.4076465 0.0000000 0.3114480 0.0000000 1.3597763 0.0000000 0.2897097 0.0000000 1.4249451 7 Bi 2.6927745 0.0000000 -1.3625663 0.0000000 1.6224674 0.0000000 -1.3985150 0.0000000 4.2774021 8 Bi 2.6927745 0.0000000 -1.3625663 0.0000000 1.6224674 0.0000000 -1.3985150 0.0000000 4.2774021 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 240 - Time: 1.915 Solver_block: 200 / 240 - Time: 1.833 Solver_block: 240 / 240 - Time: 0.788 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.567 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 5712/5712 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1256 Number of blocks in projector: 1256 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: 272 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 240 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1256, 1238), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (240, 238), data: True |-- (240, 238), data: True |-- (272, 267), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:13:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:13:21]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.137011295208754 -4.600765850000000 0.000000000000000 b 4.137011295208754 4.600765850000000 0.000000000000000 c -3.267892479762997 0.000000000000000 5.018007749172874 Atomic positions (fractional): 1 O 0.12512866355757 0.23461596735546 0.20826440946517 15.999 2 O 0.76538403264454 0.87487133644243 0.29173559053483 15.999 3 O 0.23461596735546 0.12512866355757 0.70826440946517 15.999 4 O 0.87487133644243 0.76538403264454 0.79173559053483 15.999 5 Cs 0.35857113050143 0.64142886949857 0.75000000000000 132.905 6 Cs 0.64142886949857 0.35857113050143 0.25000000000000 132.905 7 Bi 0.08881330435512 0.91118669564488 0.25000000000000 208.980 8 Bi 0.91118669564488 0.08881330435512 0.75000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.548045180835015 0.000000000000000 0.000000000000000 b 0.000000000000000 18.403063400000001 0.000000000000000 c -6.535784959525994 0.000000000000000 10.036015498345748 Atomic positions (fractional): 1 O 0.08993615772826 0.02737182594947 0.10413220473258 15.999 > 1 2 O 0.58993615772826 0.02737182594947 0.10413220473258 15.999 > 1 3 O 0.08993615772826 0.52737182594947 0.10413220473258 15.999 > 1 4 O 0.58993615772826 0.52737182594947 0.10413220473258 15.999 > 1 5 O 0.08993615772826 0.02737182594947 0.60413220473258 15.999 > 1 6 O 0.58993615772826 0.02737182594947 0.60413220473258 15.999 > 1 7 O 0.08993615772826 0.52737182594947 0.60413220473258 15.999 > 1 8 O 0.58993615772826 0.52737182594947 0.60413220473258 15.999 > 1 9 O 0.41006384227174 0.02737182594947 0.14586779526742 15.999 > 9 10 O 0.91006384227174 0.02737182594947 0.14586779526742 15.999 > 9 11 O 0.41006384227174 0.52737182594947 0.14586779526742 15.999 > 9 12 O 0.91006384227174 0.52737182594947 0.14586779526742 15.999 > 9 13 O 0.41006384227174 0.02737182594947 0.64586779526742 15.999 > 9 14 O 0.91006384227174 0.02737182594947 0.64586779526742 15.999 > 9 15 O 0.41006384227174 0.52737182594947 0.64586779526742 15.999 > 9 16 O 0.91006384227174 0.52737182594947 0.64586779526742 15.999 > 9 17 O 0.08993615772826 0.47262817405053 0.35413220473258 15.999 > 17 18 O 0.58993615772826 0.47262817405053 0.35413220473258 15.999 > 17 19 O 0.08993615772826 0.97262817405053 0.35413220473258 15.999 > 17 20 O 0.58993615772826 0.97262817405053 0.35413220473258 15.999 > 17 21 O 0.08993615772826 0.47262817405053 0.85413220473258 15.999 > 17 22 O 0.58993615772826 0.47262817405053 0.85413220473258 15.999 > 17 23 O 0.08993615772826 0.97262817405053 0.85413220473258 15.999 > 17 24 O 0.58993615772826 0.97262817405053 0.85413220473258 15.999 > 17 25 O 0.41006384227174 0.47262817405053 0.39586779526742 15.999 > 25 26 O 0.91006384227174 0.47262817405053 0.39586779526742 15.999 > 25 27 O 0.41006384227174 0.97262817405053 0.39586779526742 15.999 > 25 28 O 0.91006384227174 0.97262817405053 0.39586779526742 15.999 > 25 29 O 0.41006384227174 0.47262817405053 0.89586779526742 15.999 > 25 30 O 0.91006384227174 0.47262817405053 0.89586779526742 15.999 > 25 31 O 0.41006384227174 0.97262817405053 0.89586779526742 15.999 > 25 32 O 0.91006384227174 0.97262817405053 0.89586779526742 15.999 > 25 33 O 0.33993615772826 0.27737182594947 0.10413220473258 15.999 > 1 34 O 0.83993615772826 0.27737182594947 0.10413220473258 15.999 > 1 35 O 0.33993615772826 0.77737182594947 0.10413220473258 15.999 > 1 36 O 0.83993615772826 0.77737182594947 0.10413220473258 15.999 > 1 37 O 0.33993615772826 0.27737182594947 0.60413220473258 15.999 > 1 38 O 0.83993615772826 0.27737182594947 0.60413220473258 15.999 > 1 39 O 0.33993615772826 0.77737182594947 0.60413220473258 15.999 > 1 40 O 0.83993615772826 0.77737182594947 0.60413220473258 15.999 > 1 41 O 0.16006384227174 0.27737182594947 0.14586779526742 15.999 > 9 42 O 0.66006384227174 0.27737182594947 0.14586779526742 15.999 > 9 43 O 0.16006384227174 0.77737182594947 0.14586779526742 15.999 > 9 44 O 0.66006384227174 0.77737182594947 0.14586779526742 15.999 > 9 45 O 0.16006384227174 0.27737182594947 0.64586779526742 15.999 > 9 46 O 0.66006384227174 0.27737182594947 0.64586779526742 15.999 > 9 47 O 0.16006384227174 0.77737182594947 0.64586779526742 15.999 > 9 48 O 0.66006384227174 0.77737182594947 0.64586779526742 15.999 > 9 49 O 0.33993615772826 0.22262817405053 0.35413220473258 15.999 > 17 50 O 0.83993615772826 0.22262817405053 0.35413220473258 15.999 > 17 51 O 0.33993615772826 0.72262817405053 0.35413220473258 15.999 > 17 52 O 0.83993615772826 0.72262817405053 0.35413220473258 15.999 > 17 53 O 0.33993615772826 0.22262817405053 0.85413220473258 15.999 > 17 54 O 0.83993615772826 0.22262817405053 0.85413220473258 15.999 > 17 55 O 0.33993615772826 0.72262817405053 0.85413220473258 15.999 > 17 56 O 0.83993615772826 0.72262817405053 0.85413220473258 15.999 > 17 57 O 0.16006384227174 0.22262817405053 0.39586779526742 15.999 > 25 58 O 0.66006384227174 0.22262817405053 0.39586779526742 15.999 > 25 59 O 0.16006384227174 0.72262817405053 0.39586779526742 15.999 > 25 60 O 0.66006384227174 0.72262817405053 0.39586779526742 15.999 > 25 61 O 0.16006384227174 0.22262817405053 0.89586779526742 15.999 > 25 62 O 0.66006384227174 0.22262817405053 0.89586779526742 15.999 > 25 63 O 0.16006384227174 0.72262817405053 0.89586779526742 15.999 > 25 64 O 0.66006384227174 0.72262817405053 0.89586779526742 15.999 > 25 65 Cs 0.25000000000000 0.07071443474928 0.37500000000000 132.905 > 65 66 Cs 0.75000000000000 0.07071443474928 0.37500000000000 132.905 > 65 67 Cs 0.25000000000000 0.57071443474928 0.37500000000000 132.905 > 65 68 Cs 0.75000000000000 0.57071443474928 0.37500000000000 132.905 > 65 69 Cs 0.25000000000000 0.07071443474928 0.87500000000000 132.905 > 65 70 Cs 0.75000000000000 0.07071443474928 0.87500000000000 132.905 > 65 71 Cs 0.25000000000000 0.57071443474928 0.87500000000000 132.905 > 65 72 Cs 0.75000000000000 0.57071443474928 0.87500000000000 132.905 > 65 73 Cs 0.25000000000000 0.42928556525072 0.12500000000000 132.905 > 73 74 Cs 0.75000000000000 0.42928556525072 0.12500000000000 132.905 > 73 75 Cs 0.25000000000000 0.92928556525072 0.12500000000000 132.905 > 73 76 Cs 0.75000000000000 0.92928556525072 0.12500000000000 132.905 > 73 77 Cs 0.25000000000000 0.42928556525072 0.62500000000000 132.905 > 73 78 Cs 0.75000000000000 0.42928556525072 0.62500000000000 132.905 > 73 79 Cs 0.25000000000000 0.92928556525072 0.62500000000000 132.905 > 73 80 Cs 0.75000000000000 0.92928556525072 0.62500000000000 132.905 > 73 81 Cs 0.00000000000000 0.32071443474928 0.37500000000000 132.905 > 65 82 Cs 0.50000000000000 0.32071443474928 0.37500000000000 132.905 > 65 83 Cs 0.00000000000000 0.82071443474928 0.37500000000000 132.905 > 65 84 Cs 0.50000000000000 0.82071443474928 0.37500000000000 132.905 > 65 85 Cs 0.00000000000000 0.32071443474928 0.87500000000000 132.905 > 65 86 Cs 0.50000000000000 0.32071443474928 0.87500000000000 132.905 > 65 87 Cs 0.00000000000000 0.82071443474928 0.87500000000000 132.905 > 65 88 Cs 0.50000000000000 0.82071443474928 0.87500000000000 132.905 > 65 89 Cs 0.00000000000000 0.17928556525072 0.12500000000000 132.905 > 73 90 Cs 0.50000000000000 0.17928556525072 0.12500000000000 132.905 > 73 91 Cs 0.00000000000000 0.67928556525072 0.12500000000000 132.905 > 73 92 Cs 0.50000000000000 0.67928556525072 0.12500000000000 132.905 > 73 93 Cs 0.00000000000000 0.17928556525072 0.62500000000000 132.905 > 73 94 Cs 0.50000000000000 0.17928556525072 0.62500000000000 132.905 > 73 95 Cs 0.00000000000000 0.67928556525072 0.62500000000000 132.905 > 73 96 Cs 0.50000000000000 0.67928556525072 0.62500000000000 132.905 > 73 97 Bi 0.25000000000000 0.20559334782244 0.12500000000000 208.980 > 97 98 Bi 0.75000000000000 0.20559334782244 0.12500000000000 208.980 > 97 99 Bi 0.25000000000000 0.70559334782244 0.12500000000000 208.980 > 97 100 Bi 0.75000000000000 0.70559334782244 0.12500000000000 208.980 > 97 101 Bi 0.25000000000000 0.20559334782244 0.62500000000000 208.980 > 97 102 Bi 0.75000000000000 0.20559334782244 0.62500000000000 208.980 > 97 103 Bi 0.25000000000000 0.70559334782244 0.62500000000000 208.980 > 97 104 Bi 0.75000000000000 0.70559334782244 0.62500000000000 208.980 > 97 105 Bi 0.25000000000000 0.29440665217756 0.37500000000000 208.980 > 105 106 Bi 0.75000000000000 0.29440665217756 0.37500000000000 208.980 > 105 107 Bi 0.25000000000000 0.79440665217756 0.37500000000000 208.980 > 105 108 Bi 0.75000000000000 0.79440665217756 0.37500000000000 208.980 > 105 109 Bi 0.25000000000000 0.29440665217756 0.87500000000000 208.980 > 105 110 Bi 0.75000000000000 0.29440665217756 0.87500000000000 208.980 > 105 111 Bi 0.25000000000000 0.79440665217756 0.87500000000000 208.980 > 105 112 Bi 0.75000000000000 0.79440665217756 0.87500000000000 208.980 > 105 113 Bi 0.00000000000000 0.45559334782244 0.12500000000000 208.980 > 97 114 Bi 0.50000000000000 0.45559334782244 0.12500000000000 208.980 > 97 115 Bi 0.00000000000000 0.95559334782244 0.12500000000000 208.980 > 97 116 Bi 0.50000000000000 0.95559334782244 0.12500000000000 208.980 > 97 117 Bi 0.00000000000000 0.45559334782244 0.62500000000000 208.980 > 97 118 Bi 0.50000000000000 0.45559334782244 0.62500000000000 208.980 > 97 119 Bi 0.00000000000000 0.95559334782244 0.62500000000000 208.980 > 97 120 Bi 0.50000000000000 0.95559334782244 0.62500000000000 208.980 > 97 121 Bi 0.00000000000000 0.04440665217756 0.37500000000000 208.980 > 105 122 Bi 0.50000000000000 0.04440665217756 0.37500000000000 208.980 > 105 123 Bi 0.00000000000000 0.54440665217756 0.37500000000000 208.980 > 105 124 Bi 0.50000000000000 0.54440665217756 0.37500000000000 208.980 > 105 125 Bi 0.00000000000000 0.04440665217756 0.87500000000000 208.980 > 105 126 Bi 0.50000000000000 0.04440665217756 0.87500000000000 208.980 > 105 127 Bi 0.00000000000000 0.54440665217756 0.87500000000000 208.980 > 105 128 Bi 0.50000000000000 0.54440665217756 0.87500000000000 208.980 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8647459 0.0000000 -0.5318714 0.0000000 3.5503247 0.0000000 -0.5318711 0.0000000 4.5940461 -------------------------- Born effective charges -------------------------- 1 O -2.0502105 -0.8352031 0.5255592 -0.3368120 -1.4911219 0.0702951 0.5544027 0.7338007 -2.8511736 2 O -2.0502105 0.8352031 0.5255592 0.3368120 -1.4911219 -0.0702951 0.5544027 -0.7338007 -2.8511736 3 O -2.0502105 0.8352031 0.5255592 0.3368120 -1.4911219 -0.0702951 0.5544027 -0.7338007 -2.8511736 4 O -2.0502105 -0.8352031 0.5255592 -0.3368120 -1.4911219 0.0702951 0.5544027 0.7338007 -2.8511736 5 Cs 1.4076465 0.0000000 0.3114480 0.0000000 1.3597763 0.0000000 0.2897097 0.0000000 1.4249451 6 Cs 1.4076465 0.0000000 0.3114480 0.0000000 1.3597763 0.0000000 0.2897097 0.0000000 1.4249451 7 Bi 2.6927745 0.0000000 -1.3625663 0.0000000 1.6224674 0.0000000 -1.3985150 0.0000000 4.2774021 8 Bi 2.6927745 0.0000000 -1.3625663 0.0000000 1.6224674 0.0000000 -1.3985150 0.0000000 4.2774021 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000010 (yyy) 0.00000010 (yyy) 0.00000010 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (zx) -0.00000004 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:13:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:13:35]------------------------- 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.137011295208754 -4.600765850000000 0.000000000000000 b 4.137011295208754 4.600765850000000 0.000000000000000 c -3.267892479762997 0.000000000000000 5.018007749172874 Atomic positions (fractional): 1 O 0.12512866355757 0.23461596735546 0.20826440946517 15.999 2 O 0.76538403264454 0.87487133644243 0.29173559053483 15.999 3 O 0.23461596735546 0.12512866355757 0.70826440946517 15.999 4 O 0.87487133644243 0.76538403264454 0.79173559053483 15.999 5 Cs 0.35857113050143 0.64142886949857 0.75000000000000 132.905 6 Cs 0.64142886949857 0.35857113050143 0.25000000000000 132.905 7 Bi 0.08881330435512 0.91118669564488 0.25000000000000 208.980 8 Bi 0.91118669564488 0.08881330435512 0.75000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.548045180835015 0.000000000000000 0.000000000000000 b 0.000000000000000 18.403063400000001 0.000000000000000 c -6.535784959525994 0.000000000000000 10.036015498345748 Atomic positions (fractional): 1 O 0.08993615772826 0.02737182594947 0.10413220473258 15.999 > 1 2 O 0.58993615772826 0.02737182594947 0.10413220473258 15.999 > 1 3 O 0.08993615772826 0.52737182594947 0.10413220473258 15.999 > 1 4 O 0.58993615772826 0.52737182594947 0.10413220473258 15.999 > 1 5 O 0.08993615772826 0.02737182594947 0.60413220473258 15.999 > 1 6 O 0.58993615772826 0.02737182594947 0.60413220473258 15.999 > 1 7 O 0.08993615772826 0.52737182594947 0.60413220473258 15.999 > 1 8 O 0.58993615772826 0.52737182594947 0.60413220473258 15.999 > 1 9 O 0.41006384227174 0.02737182594947 0.14586779526742 15.999 > 9 10 O 0.91006384227174 0.02737182594947 0.14586779526742 15.999 > 9 11 O 0.41006384227174 0.52737182594947 0.14586779526742 15.999 > 9 12 O 0.91006384227174 0.52737182594947 0.14586779526742 15.999 > 9 13 O 0.41006384227174 0.02737182594947 0.64586779526742 15.999 > 9 14 O 0.91006384227174 0.02737182594947 0.64586779526742 15.999 > 9 15 O 0.41006384227174 0.52737182594947 0.64586779526742 15.999 > 9 16 O 0.91006384227174 0.52737182594947 0.64586779526742 15.999 > 9 17 O 0.08993615772826 0.47262817405053 0.35413220473258 15.999 > 17 18 O 0.58993615772826 0.47262817405053 0.35413220473258 15.999 > 17 19 O 0.08993615772826 0.97262817405053 0.35413220473258 15.999 > 17 20 O 0.58993615772826 0.97262817405053 0.35413220473258 15.999 > 17 21 O 0.08993615772826 0.47262817405053 0.85413220473258 15.999 > 17 22 O 0.58993615772826 0.47262817405053 0.85413220473258 15.999 > 17 23 O 0.08993615772826 0.97262817405053 0.85413220473258 15.999 > 17 24 O 0.58993615772826 0.97262817405053 0.85413220473258 15.999 > 17 25 O 0.41006384227174 0.47262817405053 0.39586779526742 15.999 > 25 26 O 0.91006384227174 0.47262817405053 0.39586779526742 15.999 > 25 27 O 0.41006384227174 0.97262817405053 0.39586779526742 15.999 > 25 28 O 0.91006384227174 0.97262817405053 0.39586779526742 15.999 > 25 29 O 0.41006384227174 0.47262817405053 0.89586779526742 15.999 > 25 30 O 0.91006384227174 0.47262817405053 0.89586779526742 15.999 > 25 31 O 0.41006384227174 0.97262817405053 0.89586779526742 15.999 > 25 32 O 0.91006384227174 0.97262817405053 0.89586779526742 15.999 > 25 33 O 0.33993615772826 0.27737182594947 0.10413220473258 15.999 > 1 34 O 0.83993615772826 0.27737182594947 0.10413220473258 15.999 > 1 35 O 0.33993615772826 0.77737182594947 0.10413220473258 15.999 > 1 36 O 0.83993615772826 0.77737182594947 0.10413220473258 15.999 > 1 37 O 0.33993615772826 0.27737182594947 0.60413220473258 15.999 > 1 38 O 0.83993615772826 0.27737182594947 0.60413220473258 15.999 > 1 39 O 0.33993615772826 0.77737182594947 0.60413220473258 15.999 > 1 40 O 0.83993615772826 0.77737182594947 0.60413220473258 15.999 > 1 41 O 0.16006384227174 0.27737182594947 0.14586779526742 15.999 > 9 42 O 0.66006384227174 0.27737182594947 0.14586779526742 15.999 > 9 43 O 0.16006384227174 0.77737182594947 0.14586779526742 15.999 > 9 44 O 0.66006384227174 0.77737182594947 0.14586779526742 15.999 > 9 45 O 0.16006384227174 0.27737182594947 0.64586779526742 15.999 > 9 46 O 0.66006384227174 0.27737182594947 0.64586779526742 15.999 > 9 47 O 0.16006384227174 0.77737182594947 0.64586779526742 15.999 > 9 48 O 0.66006384227174 0.77737182594947 0.64586779526742 15.999 > 9 49 O 0.33993615772826 0.22262817405053 0.35413220473258 15.999 > 17 50 O 0.83993615772826 0.22262817405053 0.35413220473258 15.999 > 17 51 O 0.33993615772826 0.72262817405053 0.35413220473258 15.999 > 17 52 O 0.83993615772826 0.72262817405053 0.35413220473258 15.999 > 17 53 O 0.33993615772826 0.22262817405053 0.85413220473258 15.999 > 17 54 O 0.83993615772826 0.22262817405053 0.85413220473258 15.999 > 17 55 O 0.33993615772826 0.72262817405053 0.85413220473258 15.999 > 17 56 O 0.83993615772826 0.72262817405053 0.85413220473258 15.999 > 17 57 O 0.16006384227174 0.22262817405053 0.39586779526742 15.999 > 25 58 O 0.66006384227174 0.22262817405053 0.39586779526742 15.999 > 25 59 O 0.16006384227174 0.72262817405053 0.39586779526742 15.999 > 25 60 O 0.66006384227174 0.72262817405053 0.39586779526742 15.999 > 25 61 O 0.16006384227174 0.22262817405053 0.89586779526742 15.999 > 25 62 O 0.66006384227174 0.22262817405053 0.89586779526742 15.999 > 25 63 O 0.16006384227174 0.72262817405053 0.89586779526742 15.999 > 25 64 O 0.66006384227174 0.72262817405053 0.89586779526742 15.999 > 25 65 Cs 0.25000000000000 0.07071443474928 0.37500000000000 132.905 > 65 66 Cs 0.75000000000000 0.07071443474928 0.37500000000000 132.905 > 65 67 Cs 0.25000000000000 0.57071443474928 0.37500000000000 132.905 > 65 68 Cs 0.75000000000000 0.57071443474928 0.37500000000000 132.905 > 65 69 Cs 0.25000000000000 0.07071443474928 0.87500000000000 132.905 > 65 70 Cs 0.75000000000000 0.07071443474928 0.87500000000000 132.905 > 65 71 Cs 0.25000000000000 0.57071443474928 0.87500000000000 132.905 > 65 72 Cs 0.75000000000000 0.57071443474928 0.87500000000000 132.905 > 65 73 Cs 0.25000000000000 0.42928556525072 0.12500000000000 132.905 > 73 74 Cs 0.75000000000000 0.42928556525072 0.12500000000000 132.905 > 73 75 Cs 0.25000000000000 0.92928556525072 0.12500000000000 132.905 > 73 76 Cs 0.75000000000000 0.92928556525072 0.12500000000000 132.905 > 73 77 Cs 0.25000000000000 0.42928556525072 0.62500000000000 132.905 > 73 78 Cs 0.75000000000000 0.42928556525072 0.62500000000000 132.905 > 73 79 Cs 0.25000000000000 0.92928556525072 0.62500000000000 132.905 > 73 80 Cs 0.75000000000000 0.92928556525072 0.62500000000000 132.905 > 73 81 Cs 0.00000000000000 0.32071443474928 0.37500000000000 132.905 > 65 82 Cs 0.50000000000000 0.32071443474928 0.37500000000000 132.905 > 65 83 Cs 0.00000000000000 0.82071443474928 0.37500000000000 132.905 > 65 84 Cs 0.50000000000000 0.82071443474928 0.37500000000000 132.905 > 65 85 Cs 0.00000000000000 0.32071443474928 0.87500000000000 132.905 > 65 86 Cs 0.50000000000000 0.32071443474928 0.87500000000000 132.905 > 65 87 Cs 0.00000000000000 0.82071443474928 0.87500000000000 132.905 > 65 88 Cs 0.50000000000000 0.82071443474928 0.87500000000000 132.905 > 65 89 Cs 0.00000000000000 0.17928556525072 0.12500000000000 132.905 > 73 90 Cs 0.50000000000000 0.17928556525072 0.12500000000000 132.905 > 73 91 Cs 0.00000000000000 0.67928556525072 0.12500000000000 132.905 > 73 92 Cs 0.50000000000000 0.67928556525072 0.12500000000000 132.905 > 73 93 Cs 0.00000000000000 0.17928556525072 0.62500000000000 132.905 > 73 94 Cs 0.50000000000000 0.17928556525072 0.62500000000000 132.905 > 73 95 Cs 0.00000000000000 0.67928556525072 0.62500000000000 132.905 > 73 96 Cs 0.50000000000000 0.67928556525072 0.62500000000000 132.905 > 73 97 Bi 0.25000000000000 0.20559334782244 0.12500000000000 208.980 > 97 98 Bi 0.75000000000000 0.20559334782244 0.12500000000000 208.980 > 97 99 Bi 0.25000000000000 0.70559334782244 0.12500000000000 208.980 > 97 100 Bi 0.75000000000000 0.70559334782244 0.12500000000000 208.980 > 97 101 Bi 0.25000000000000 0.20559334782244 0.62500000000000 208.980 > 97 102 Bi 0.75000000000000 0.20559334782244 0.62500000000000 208.980 > 97 103 Bi 0.25000000000000 0.70559334782244 0.62500000000000 208.980 > 97 104 Bi 0.75000000000000 0.70559334782244 0.62500000000000 208.980 > 97 105 Bi 0.25000000000000 0.29440665217756 0.37500000000000 208.980 > 105 106 Bi 0.75000000000000 0.29440665217756 0.37500000000000 208.980 > 105 107 Bi 0.25000000000000 0.79440665217756 0.37500000000000 208.980 > 105 108 Bi 0.75000000000000 0.79440665217756 0.37500000000000 208.980 > 105 109 Bi 0.25000000000000 0.29440665217756 0.87500000000000 208.980 > 105 110 Bi 0.75000000000000 0.29440665217756 0.87500000000000 208.980 > 105 111 Bi 0.25000000000000 0.79440665217756 0.87500000000000 208.980 > 105 112 Bi 0.75000000000000 0.79440665217756 0.87500000000000 208.980 > 105 113 Bi 0.00000000000000 0.45559334782244 0.12500000000000 208.980 > 97 114 Bi 0.50000000000000 0.45559334782244 0.12500000000000 208.980 > 97 115 Bi 0.00000000000000 0.95559334782244 0.12500000000000 208.980 > 97 116 Bi 0.50000000000000 0.95559334782244 0.12500000000000 208.980 > 97 117 Bi 0.00000000000000 0.45559334782244 0.62500000000000 208.980 > 97 118 Bi 0.50000000000000 0.45559334782244 0.62500000000000 208.980 > 97 119 Bi 0.00000000000000 0.95559334782244 0.62500000000000 208.980 > 97 120 Bi 0.50000000000000 0.95559334782244 0.62500000000000 208.980 > 97 121 Bi 0.00000000000000 0.04440665217756 0.37500000000000 208.980 > 105 122 Bi 0.50000000000000 0.04440665217756 0.37500000000000 208.980 > 105 123 Bi 0.00000000000000 0.54440665217756 0.37500000000000 208.980 > 105 124 Bi 0.50000000000000 0.54440665217756 0.37500000000000 208.980 > 105 125 Bi 0.00000000000000 0.04440665217756 0.87500000000000 208.980 > 105 126 Bi 0.50000000000000 0.04440665217756 0.87500000000000 208.980 > 105 127 Bi 0.00000000000000 0.54440665217756 0.87500000000000 208.980 > 105 128 Bi 0.50000000000000 0.54440665217756 0.87500000000000 208.980 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8647459 0.0000000 -0.5318714 0.0000000 3.5503247 0.0000000 -0.5318711 0.0000000 4.5940461 -------------------------- Born effective charges -------------------------- 1 O -2.0502105 -0.8352031 0.5255592 -0.3368120 -1.4911219 0.0702951 0.5544027 0.7338007 -2.8511736 2 O -2.0502105 0.8352031 0.5255592 0.3368120 -1.4911219 -0.0702951 0.5544027 -0.7338007 -2.8511736 3 O -2.0502105 0.8352031 0.5255592 0.3368120 -1.4911219 -0.0702951 0.5544027 -0.7338007 -2.8511736 4 O -2.0502105 -0.8352031 0.5255592 -0.3368120 -1.4911219 0.0702951 0.5544027 0.7338007 -2.8511736 5 Cs 1.4076465 0.0000000 0.3114480 0.0000000 1.3597763 0.0000000 0.2897097 0.0000000 1.4249451 6 Cs 1.4076465 0.0000000 0.3114480 0.0000000 1.3597763 0.0000000 0.2897097 0.0000000 1.4249451 7 Bi 2.6927745 0.0000000 -1.3625663 0.0000000 1.6224674 0.0000000 -1.3985150 0.0000000 4.2774021 8 Bi 2.6927745 0.0000000 -1.3625663 0.0000000 1.6224674 0.0000000 -1.3985150 0.0000000 4.2774021 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000010 (yyy) 0.00000010 (yyy) 0.00000010 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 10 ] 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: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/230) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.397 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.840 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 0.000 0.000) 0.000 10.855 ( 0.000 0.000 0.000) 0.000 11.561 ( 0.000 0.000 0.000) 0.000 13.735 ( 0.000 0.000 0.000) 0.000 14.476 ( 0.000 0.000 0.000) 0.000 15.721 ( 0.000 0.000 0.000) 0.000 16.561 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/230) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.117 ( 2.600 -5.536 4.597) 7.651 0.296 ( 8.197 -8.895 8.189) 14.608 0.498 ( 16.632 -6.609 20.626) 27.308 1.402 ( 0.617 -0.401 -1.066) 1.295 1.754 ( 0.703 4.685 -0.981) 4.838 1.865 ( 1.259 -1.645 -1.110) 2.350 1.937 ( -4.422 2.889 -1.284) 5.436 2.138 ( -5.963 -11.134 -3.102) 13.006 2.363 ( 1.558 2.298 0.440) 2.811 2.794 ( 8.566 7.215 -6.120) 12.763 3.542 ( -0.303 -1.066 1.045) 1.523 3.875 ( 27.882 2.351 -31.725) 42.302 4.151 ( 5.723 -1.411 -0.772) 5.945 4.371 ( 0.349 -0.160 -0.442) 0.586 5.491 ( -0.106 -2.439 0.208) 2.451 7.620 ( -17.623 16.485 52.481) 57.763 8.267 ( -78.189 -7.813 111.866) 136.706 10.155 ( 1.939 -0.357 1.667) 2.582 10.870 ( -5.347 -4.746 -3.981) 8.183 11.550 ( -0.792 0.183 -0.858) 1.182 14.428 ( 23.397 21.899 -12.535) 34.410 14.620 ( 48.128 32.920 -20.848) 61.925 15.737 ( 2.538 -1.406 -2.117) 3.591 16.990 ( -14.228 -31.734 -18.293) 39.296 ======================= Grid point 2 (3/230) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 4.644 -7.135 6.058) 10.448 0.571 ( 7.450 -8.378 6.484) 12.951 0.949 ( 14.193 -5.298 17.348) 23.032 1.388 ( -0.902 0.739 -1.746) 2.100 1.681 ( -0.911 6.100 -0.372) 6.179 1.832 ( -1.641 4.453 -1.034) 4.857 1.895 ( 0.936 -2.493 -2.638) 3.748 2.132 ( -6.041 -4.782 -0.145) 7.706 2.378 ( 2.539 0.858 0.661) 2.761 2.749 ( 1.307 2.754 -5.903) 6.644 3.564 ( -0.248 -1.366 1.393) 1.967 3.962 ( 16.401 -0.875 -15.344) 22.476 4.260 ( 8.030 -1.581 -1.037) 8.250 4.376 ( 0.644 -0.304 -0.701) 0.999 5.536 ( 0.403 -4.329 0.303) 4.358 7.648 ( -4.648 6.681 19.785) 21.394 8.296 ( -33.648 -3.859 50.132) 60.501 10.217 ( 2.751 -0.397 4.058) 4.918 10.803 ( -2.919 -2.629 -8.336) 9.215 11.526 ( -1.049 -0.004 -1.157) 1.562 14.381 ( 16.106 15.429 -6.899) 23.346 14.664 ( 12.538 9.540 -4.335) 16.340 15.784 ( 4.272 -2.273 -3.111) 5.753 17.028 ( -5.974 -14.360 -6.076) 16.698 ======================= Grid point 3 (4/230) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 5.129 -7.528 6.365) 11.112 0.806 ( 6.214 -7.099 4.281) 10.360 1.240 ( 2.905 -0.665 2.705) 4.024 1.363 ( 2.410 0.408 4.906) 5.481 1.580 ( -2.373 6.328 0.098) 6.759 1.779 ( 1.291 3.346 2.213) 4.214 1.914 ( 1.841 -2.614 -4.065) 5.172 2.113 ( -4.391 -2.408 2.379) 5.545 2.410 ( 1.820 -0.175 0.265) 1.847 2.659 ( -1.951 2.033 -6.620) 7.195 3.589 ( 0.005 -1.102 1.074) 1.539 4.053 ( 10.018 -1.253 -8.249) 13.038 4.356 ( 4.039 -0.219 -0.727) 4.110 4.392 ( 2.815 -0.814 -0.774) 3.031 5.605 ( 1.062 -4.427 0.223) 4.558 7.674 ( -0.834 3.050 7.764) 8.383 8.328 ( -16.091 -1.930 25.252) 30.005 10.301 ( 2.123 -0.012 6.261) 6.611 10.719 ( -1.443 -1.995 -10.024) 10.322 11.506 ( -0.754 -0.295 -0.867) 1.186 14.366 ( 11.008 10.008 -3.238) 15.225 14.651 ( 0.945 3.420 -0.749) 3.626 15.844 ( 4.006 -2.094 -2.568) 5.199 17.062 ( -3.073 -6.977 -1.959) 7.872 ======================= Grid point 4 (5/230) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 2.758 -4.164 3.414) 6.050 0.970 ( 3.456 -3.686 1.980) 5.427 1.177 ( -2.462 2.353 -2.550) 4.254 1.444 ( 0.406 -0.618 1.853) 1.995 1.486 ( -1.239 3.853 -0.211) 4.053 1.833 ( 3.593 1.497 4.723) 6.121 1.932 ( 0.665 -2.125 -2.822) 3.594 2.112 ( -1.848 -0.971 1.841) 2.784 2.433 ( 0.856 -0.371 0.181) 0.950 2.554 ( -1.991 1.352 -4.042) 4.704 3.606 ( 0.055 -0.431 0.397) 0.589 4.107 ( 3.430 -0.510 -2.670) 4.377 4.373 ( 0.448 0.037 -0.243) 0.511 4.437 ( 2.037 -0.283 -0.348) 2.086 5.659 ( 0.627 -1.905 0.070) 2.006 7.687 ( -0.027 0.909 1.986) 2.184 8.348 ( -4.851 -0.566 7.910) 9.296 10.369 ( 0.736 0.226 4.172) 4.242 10.651 ( -0.373 -0.961 -5.637) 5.730 11.498 ( -0.253 -0.193 -0.306) 0.442 14.372 ( 4.550 3.768 -0.939) 5.982 14.614 ( -1.366 0.712 -0.049) 1.541 15.886 ( 1.622 -0.848 -0.971) 2.072 17.079 ( -1.029 -2.078 -0.406) 2.355 ======================= Grid point 10 (6/230) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.216 ( 6.918 -0.000 6.735) 9.655 0.456 ( 8.670 -0.000 10.516) 13.629 0.874 ( 16.566 -0.000 18.897) 25.130 1.397 ( 0.863 -0.000 -2.333) 2.488 1.800 ( 3.182 -0.000 -4.308) 5.356 1.818 ( -2.962 0.000 0.631) 3.028 1.948 ( -2.621 0.000 -1.748) 3.150 2.001 ( -3.257 0.000 3.915) 5.092 2.390 ( 1.312 -0.000 -1.230) 1.799 2.790 ( -0.166 0.000 -8.922) 8.924 3.548 ( 0.859 -0.000 0.801) 1.174 3.960 ( 20.135 -0.000 -23.004) 30.571 4.236 ( 8.989 -0.000 -0.961) 9.040 4.372 ( 0.473 -0.000 -0.451) 0.654 5.481 ( 1.113 -0.000 -0.570) 1.251 7.805 ( 0.926 -0.000 0.648) 1.131 8.195 ( -65.771 0.000 103.777) 122.864 10.212 ( 4.118 -0.000 2.334) 4.734 10.762 ( -1.729 0.000 -6.716) 6.935 11.531 ( -3.263 0.000 1.981) 3.818 14.520 ( 2.108 -0.000 1.317) 2.485 15.071 ( 13.779 -0.000 -35.602) 38.175 15.792 ( 11.684 -0.000 -11.162) 16.159 16.659 ( 3.888 -0.000 4.547) 5.983 ======================= Grid point 11 (7/230) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 8.266 -1.736 7.582) 11.350 0.670 ( 7.660 -3.317 7.593) 11.284 1.211 ( 10.386 -1.096 10.362) 14.712 1.377 ( 0.176 0.508 -1.964) 2.036 1.727 ( -1.947 5.287 -0.773) 5.688 1.832 ( -0.258 -2.692 -2.520) 3.697 1.884 ( 0.643 3.575 1.207) 3.828 2.031 ( -3.954 -4.016 4.444) 7.177 2.392 ( 0.983 -0.778 -2.356) 2.668 2.690 ( -2.763 0.557 -8.122) 8.598 3.573 ( 1.625 -0.253 0.488) 1.715 4.035 ( 12.420 -0.293 -10.722) 16.410 4.350 ( 7.038 -0.242 -0.767) 7.084 4.379 ( 2.162 -0.248 -0.959) 2.379 5.515 ( 2.888 -2.300 -0.951) 3.812 7.800 ( 0.831 5.559 5.311) 7.733 8.239 ( -28.834 -4.222 43.854) 52.654 10.297 ( 5.741 -0.152 0.941) 5.819 10.683 ( -2.748 -0.822 -5.165) 5.908 11.503 ( -3.951 -0.004 3.324) 5.163 14.548 ( 3.518 2.843 0.146) 4.526 14.852 ( 2.436 10.341 -16.163) 19.342 15.840 ( 10.084 1.736 -7.420) 12.639 16.833 ( 3.182 -9.524 2.636) 10.382 ======================= Grid point 12 (8/230) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 8.431 -2.403 6.629) 10.991 0.864 ( 6.462 -4.095 4.226) 8.740 1.259 ( -0.700 3.882 -2.907) 4.901 1.410 ( 0.234 -1.971 0.401) 2.025 1.619 ( -3.293 5.909 -0.062) 6.765 1.832 ( -0.391 -1.987 -3.032) 3.646 1.925 ( 4.418 2.160 5.996) 7.755 2.069 ( -1.903 -2.556 4.889) 5.836 2.397 ( 0.530 -2.212 -2.981) 3.750 2.571 ( -3.823 0.128 -6.730) 7.741 3.602 ( 1.997 0.037 -0.060) 1.998 4.100 ( 5.522 -0.114 -3.064) 6.316 4.375 ( -0.148 0.098 0.827) 0.845 4.440 ( 5.244 0.373 -2.088) 5.656 5.591 ( 4.475 -3.075 -1.272) 5.577 7.788 ( 1.362 6.645 4.803) 8.311 8.279 ( -10.273 -4.827 12.773) 17.087 10.364 ( 6.356 -0.505 -6.834) 9.347 10.639 ( -3.268 -0.131 4.476) 5.544 11.489 ( -3.655 -0.422 4.637) 5.920 14.531 ( 3.232 6.948 -4.407) 8.840 14.657 ( -3.138 3.198 -4.960) 6.684 15.890 ( 7.190 1.298 -3.980) 8.320 16.985 ( 3.293 -5.233 1.956) 6.485 ======================= Grid point 13 (9/230) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 6.077 1.314 2.373) 6.655 0.996 ( 3.086 -1.586 0.782) 3.556 1.174 ( 0.005 2.336 -1.740) 2.913 1.405 ( -2.442 -1.863 -1.130) 3.273 1.512 ( -2.070 4.016 -1.211) 4.678 1.795 ( -3.339 -1.489 -5.287) 6.428 1.980 ( -1.184 1.322 4.738) 5.059 2.124 ( 2.644 0.498 1.344) 3.007 2.407 ( -0.275 -2.511 -2.932) 3.870 2.510 ( -0.683 -2.100 0.412) 2.246 3.621 ( 2.043 0.739 -0.784) 2.310 4.124 ( -1.193 0.778 2.509) 2.885 4.376 ( -0.913 0.247 1.362) 1.658 4.455 ( 0.923 1.116 -1.625) 2.177 5.668 ( 4.355 -1.019 -1.350) 4.672 7.752 ( 0.791 5.977 0.911) 6.098 8.305 ( 0.716 -4.037 -4.247) 5.903 10.352 ( 4.821 -0.988 -13.843) 14.691 10.682 ( -2.203 1.391 14.218) 14.455 11.495 ( -2.873 -0.357 5.607) 6.310 14.381 ( -5.964 3.820 -5.620) 9.041 14.616 ( 1.479 0.751 -1.125) 2.004 15.923 ( 3.794 2.039 -1.322) 4.506 17.088 ( 4.244 -1.069 1.743) 4.710 ======================= Grid point 14 (10/230) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -0.530 8.967 -4.018) 9.840 0.965 ( -2.258 4.978 -2.158) 5.877 1.230 ( 4.994 -1.619 2.945) 6.020 1.356 ( -5.455 -0.359 -6.681) 8.633 1.466 ( 0.832 -1.771 -1.807) 2.664 1.715 ( -2.940 -1.842 -3.389) 4.850 1.962 ( -3.918 1.145 3.806) 5.581 2.148 ( 3.314 0.667 -1.531) 3.711 2.388 ( -1.934 -2.006 -3.280) 4.304 2.597 ( 2.084 -2.899 5.787) 6.800 3.624 ( 2.028 1.625 -1.578) 3.040 4.093 ( -6.959 1.900 6.613) 9.786 4.365 ( -2.407 0.518 1.430) 2.847 4.419 ( -1.804 1.417 -0.695) 2.397 5.697 ( 3.058 2.788 -1.169) 4.300 7.679 ( -0.151 3.229 -5.940) 6.763 8.324 ( 8.392 -2.017 -13.644) 16.145 10.294 ( 2.590 -0.500 -12.203) 12.485 10.772 ( -0.608 2.255 14.985) 15.166 11.515 ( -1.858 0.303 5.871) 6.166 14.218 ( -10.706 -1.844 -2.878) 11.238 14.620 ( 1.249 0.081 -1.947) 2.315 15.917 ( 0.852 3.513 0.586) 3.662 17.163 ( 5.429 1.975 2.145) 6.162 ======================= Grid point 15 (11/230) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -2.551 10.774 -5.304) 12.276 0.802 ( -4.864 9.730 -2.578) 11.179 1.095 ( -10.008 6.508 -13.969) 18.375 1.356 ( 4.326 -2.041 1.420) 4.990 1.530 ( 1.703 -5.846 -0.821) 6.144 1.736 ( 0.992 -3.730 1.639) 4.193 1.930 ( -3.352 0.506 2.956) 4.498 2.190 ( 4.910 0.116 0.154) 4.913 2.350 ( -3.019 -1.676 -2.923) 4.525 2.687 ( -0.621 -2.054 4.203) 4.719 3.611 ( 2.138 2.335 -2.105) 3.802 4.011 ( -11.130 2.855 9.326) 14.799 4.303 ( -5.510 1.895 0.410) 5.841 4.388 ( -0.866 0.747 0.725) 1.354 5.666 ( 1.880 5.834 -0.856) 6.189 7.570 ( 0.557 -0.206 -14.980) 14.992 8.340 ( 13.804 0.233 -19.412) 23.821 10.227 ( 0.437 0.359 -7.638) 7.659 10.866 ( 1.477 2.441 11.318) 11.672 11.539 ( -0.720 0.984 5.434) 5.569 14.083 ( -15.884 -6.510 0.320) 17.169 14.602 ( -1.227 0.032 -2.597) 2.872 15.876 ( -0.641 4.698 1.472) 4.965 17.229 ( 6.375 4.102 3.645) 8.412 ======================= Grid point 16 (12/230) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( -2.176 9.542 -3.820) 10.506 0.575 ( -4.920 12.481 -2.616) 13.669 0.725 ( -9.453 11.099 -13.850) 20.109 1.414 ( 1.398 0.333 0.524) 1.530 1.616 ( 0.658 -6.268 -0.311) 6.310 1.829 ( 1.668 -3.347 3.184) 4.911 1.922 ( 0.337 -0.521 1.343) 1.479 2.279 ( 3.564 -2.482 -0.354) 4.357 2.306 ( 0.239 1.034 1.093) 1.524 2.684 ( -6.343 -1.320 0.030) 6.479 3.590 ( 1.860 2.692 -1.841) 3.755 3.897 ( -12.074 3.281 9.596) 15.769 4.203 ( -4.664 2.753 0.135) 5.417 4.379 ( -0.438 0.452 0.556) 0.840 5.603 ( 1.053 6.474 -0.435) 6.573 7.441 ( 3.171 -1.895 -22.896) 23.192 8.351 ( 16.287 1.374 -21.947) 27.365 10.170 ( -0.659 0.842 -3.095) 3.275 10.947 ( 3.512 1.994 5.430) 6.767 11.565 ( 0.282 1.320 4.039) 4.259 13.927 ( -23.302 -7.506 3.116) 24.679 14.544 ( -2.471 1.200 -2.190) 3.513 15.820 ( -0.627 4.800 1.168) 4.980 17.307 ( 6.776 4.207 5.750) 9.832 ======================= Grid point 17 (13/230) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.188 ( -0.000 7.553 0.000) 7.553 0.354 ( -0.000 14.399 0.000) 14.399 0.399 ( -0.000 16.342 0.000) 16.342 1.412 ( -0.000 1.050 0.000) 1.050 1.691 ( 0.000 -5.658 -0.000) 5.658 1.865 ( 0.000 -0.026 -0.000) 0.026 1.983 ( 0.000 -2.599 -0.000) 2.599 2.282 ( 0.000 -3.721 -0.000) 3.721 2.439 ( 0.000 -2.891 -0.000) 2.891 2.538 ( -0.000 5.293 0.000) 5.293 3.564 ( -0.000 2.410 0.000) 2.410 3.802 ( -0.000 3.431 0.000) 3.431 4.136 ( -0.000 2.419 0.000) 2.419 4.374 ( -0.000 0.291 0.000) 0.291 5.538 ( -0.000 4.985 0.000) 4.985 7.337 ( -0.000 0.540 0.000) 0.540 8.358 ( -0.000 0.664 0.000) 0.664 10.141 ( -0.000 0.753 0.000) 0.753 10.993 ( -0.000 0.429 0.000) 0.429 11.575 ( -0.000 1.098 0.000) 1.098 13.743 ( -0.000 0.660 0.000) 0.660 14.495 ( -0.000 1.522 0.000) 1.522 15.768 ( -0.000 3.729 0.000) 3.729 17.384 ( -0.000 0.333 0.000) 0.333 ======================= Grid point 20 (14/230) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 9.430 -0.000 7.404) 11.989 0.809 ( 7.027 -0.000 5.415) 8.872 1.336 ( 1.476 -0.000 -0.788) 1.673 1.358 ( -0.007 0.000 -2.003) 2.003 1.719 ( -5.297 0.000 0.833) 5.363 1.783 ( 1.435 -0.000 -4.911) 5.116 1.997 ( -3.168 0.000 6.041) 6.821 1.997 ( 5.053 0.000 7.998) 9.460 2.361 ( 0.205 -0.000 -4.586) 4.591 2.570 ( -4.417 0.000 -7.849) 9.007 3.603 ( 2.684 -0.000 -0.272) 2.698 4.099 ( 6.465 -0.000 -3.446) 7.327 4.376 ( -0.379 0.000 1.254) 1.310 4.446 ( 6.738 -0.000 -2.643) 7.238 5.547 ( 5.759 -0.000 -1.559) 5.966 7.913 ( 5.451 -0.000 2.631) 6.053 8.181 ( -16.484 0.000 18.465) 24.752 10.356 ( 8.379 -0.000 -10.924) 13.767 10.639 ( -4.205 0.000 8.277) 9.284 11.483 ( -5.255 0.000 6.710) 8.523 14.607 ( 2.941 -0.000 -0.103) 2.943 14.731 ( -6.741 0.000 -13.496) 15.086 15.921 ( 9.512 -0.000 -7.258) 11.964 16.897 ( 7.046 -0.000 5.012) 8.647 ======================= Grid point 21 (15/230) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 9.682 -0.181 5.790) 11.283 0.943 ( 5.916 -1.688 2.478) 6.633 1.251 ( -3.402 2.800 -5.707) 7.210 1.364 ( -0.259 -1.470 -0.966) 1.778 1.621 ( -4.975 3.763 -0.712) 6.278 1.760 ( -1.203 -1.395 -4.469) 4.834 1.986 ( -4.822 -0.376 5.423) 7.266 2.155 ( 5.873 1.704 4.928) 7.854 2.333 ( 0.135 -2.736 -5.249) 5.920 2.467 ( -2.544 -1.160 -2.948) 4.063 3.636 ( 3.118 0.351 -0.951) 3.279 4.140 ( 0.454 0.398 2.140) 2.224 4.380 ( -1.114 0.092 2.044) 2.330 4.482 ( 2.601 0.781 -2.678) 3.814 5.635 ( 7.739 -1.050 -1.413) 7.937 7.942 ( 1.752 8.829 1.595) 9.142 8.160 ( -2.162 -7.577 -1.882) 8.101 10.332 ( 7.480 -0.510 -17.728) 19.248 10.708 ( -3.009 0.617 17.447) 17.715 11.486 ( -4.685 -0.279 8.987) 10.139 14.488 ( -9.346 3.320 -10.215) 14.238 14.635 ( 2.233 0.476 -1.499) 2.731 15.972 ( 6.905 1.539 -3.962) 8.109 17.049 ( 7.396 -1.428 3.671) 8.380 ======================= Grid point 22 (16/230) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 5.058 4.624 -0.138) 6.855 1.021 ( 1.840 0.240 -1.178) 2.198 1.162 ( 0.402 -3.182 -2.650) 4.161 1.368 ( 0.341 1.271 0.244) 1.338 1.501 ( -3.668 3.344 -2.582) 5.595 1.693 ( -3.407 -0.077 -4.556) 5.690 1.965 ( -5.933 -0.758 4.432) 7.445 2.164 ( 0.796 1.043 -3.332) 3.581 2.318 ( -1.440 -3.553 -5.855) 6.999 2.532 ( 4.046 -2.149 6.434) 7.898 3.659 ( 3.190 1.087 -1.674) 3.763 4.135 ( -4.488 1.456 5.620) 7.338 4.377 ( -2.065 0.397 2.403) 3.193 4.457 ( -0.471 1.542 -2.195) 2.723 5.735 ( 7.421 0.628 -0.690) 7.480 7.803 ( -1.882 6.173 -9.563) 11.537 8.243 ( 6.023 -4.365 -4.574) 8.733 10.281 ( 5.833 -0.522 -15.445) 16.518 10.819 ( -1.808 1.480 17.364) 17.520 11.518 ( -3.056 0.012 9.598) 10.073 14.237 ( -10.801 2.153 -7.661) 13.416 14.636 ( 1.815 0.927 -2.425) 3.168 15.997 ( 4.070 2.824 -1.315) 5.125 17.182 ( 7.119 0.034 2.554) 7.563 ======================= Grid point 23 (17/230) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -4.342 7.670 -7.151) 11.350 0.997 ( -0.003 5.584 -1.515) 5.786 1.217 ( -1.628 -0.178 -5.859) 6.084 1.326 ( 3.096 3.078 0.471) 4.391 1.434 ( -0.185 -1.336 -1.630) 2.116 1.655 ( -0.086 -2.683 -0.014) 2.684 1.924 ( -6.102 -0.841 3.078) 6.886 2.160 ( 1.328 -2.026 -1.669) 2.942 2.287 ( -2.277 -3.518 -4.885) 6.437 2.655 ( 2.816 -0.640 5.240) 5.983 3.665 ( 3.089 1.926 -2.231) 4.269 4.084 ( -7.426 2.864 6.967) 10.577 4.346 ( -3.503 1.485 1.052) 3.948 4.414 ( -0.836 1.407 -0.389) 1.682 5.792 ( 5.311 4.164 0.075) 6.749 7.608 ( -1.960 2.661 -15.570) 15.917 8.325 ( 7.454 -1.191 -5.492) 9.335 10.233 ( 3.589 0.115 -10.488) 11.085 10.919 ( -0.536 1.899 13.429) 13.573 11.564 ( -1.204 0.914 8.312) 8.448 14.021 ( -11.048 0.106 -4.775) 12.037 14.619 ( 0.744 1.090 -2.812) 3.106 15.989 ( 1.757 4.268 0.196) 4.619 17.285 ( 6.316 1.187 2.200) 6.793 ======================= Grid point 24 (18/230) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( -5.496 6.907 -7.568) 11.627 0.860 ( -2.526 10.558 -1.571) 10.969 1.009 ( -3.382 11.866 -6.798) 14.087 1.402 ( 3.056 -1.548 0.800) 3.518 1.474 ( 0.922 -4.829 -0.823) 4.985 1.737 ( 3.339 -3.921 2.622) 5.779 1.886 ( -4.704 -2.140 1.187) 5.302 2.201 ( 0.590 -3.242 -2.144) 3.931 2.273 ( -0.743 -3.582 -0.662) 3.718 2.698 ( -0.311 1.648 1.939) 2.563 3.657 ( 2.434 2.569 -1.939) 4.035 3.995 ( -7.002 4.328 5.620) 9.967 4.275 ( -3.042 2.941 0.017) 4.231 4.394 ( -0.450 0.877 0.501) 1.105 5.776 ( 2.524 7.199 0.269) 7.633 7.435 ( -0.786 0.742 -13.677) 13.719 8.371 ( 5.990 0.492 -5.587) 8.206 10.192 ( 1.192 0.859 -4.832) 5.050 10.989 ( 0.665 1.652 6.959) 7.183 11.603 ( 0.159 1.616 5.183) 5.432 13.855 ( -9.567 -0.394 -1.799) 9.743 14.582 ( -0.314 1.738 -2.081) 2.730 15.947 ( 0.416 5.345 0.579) 5.393 17.362 ( 4.305 1.233 2.005) 4.907 ======================= Grid point 25 (19/230) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -0.000 6.634 0.000) 6.634 0.686 ( -0.000 12.843 0.000) 12.843 0.783 ( -0.000 15.267 0.000) 15.267 1.431 ( -0.000 0.146 0.000) 0.146 1.544 ( 0.000 -6.031 -0.000) 6.031 1.830 ( 0.000 -2.402 -0.000) 2.402 1.893 ( 0.000 -4.632 -0.000) 4.632 2.211 ( 0.000 -2.352 -0.000) 2.352 2.341 ( 0.000 -5.027 -0.000) 5.027 2.655 ( -0.000 4.273 0.000) 4.273 3.632 ( -0.000 2.936 0.000) 2.936 3.909 ( -0.000 5.059 0.000) 5.059 4.211 ( -0.000 3.536 0.000) 3.536 4.385 ( -0.000 0.647 0.000) 0.647 5.700 ( -0.000 7.867 0.000) 7.867 7.354 ( -0.000 0.782 0.000) 0.782 8.378 ( -0.000 0.898 0.000) 0.898 10.165 ( -0.000 1.119 0.000) 1.119 11.011 ( -0.000 1.059 0.000) 1.059 11.610 ( -0.000 1.668 0.000) 1.668 13.764 ( -0.000 1.045 0.000) 1.045 14.543 ( -0.000 2.226 0.000) 2.226 15.886 ( -0.000 5.567 0.000) 5.567 17.395 ( -0.000 0.552 0.000) 0.552 ======================= Grid point 30 (20/230) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 9.818 -0.000 4.576) 10.832 1.016 ( 3.780 -0.000 0.150) 3.783 1.120 ( -6.037 0.000 -9.342) 11.124 1.386 ( 2.703 -0.000 2.028) 3.380 1.558 ( -5.377 0.000 -2.497) 5.929 1.695 ( -2.437 0.000 -3.706) 4.435 1.950 ( -6.664 0.000 5.175) 8.437 2.194 ( -2.059 0.000 -4.736) 5.164 2.251 ( -0.169 0.000 -7.497) 7.499 2.505 ( 5.498 -0.000 7.172) 9.037 3.672 ( 3.488 -0.000 -1.625) 3.848 4.154 ( -3.472 0.000 5.141) 6.203 4.382 ( -2.034 0.000 2.752) 3.423 4.479 ( -0.049 0.000 -2.677) 2.678 5.741 ( 9.253 -0.000 -0.157) 9.255 7.905 ( -4.687 0.000 -16.880) 17.519 8.165 ( 7.701 -0.000 3.855) 8.612 10.274 ( 6.901 -0.000 -16.318) 17.717 10.838 ( -2.081 0.000 17.917) 18.038 11.518 ( -3.385 0.000 10.990) 11.500 14.271 ( -11.570 0.000 -9.427) 14.924 14.650 ( 1.863 -0.000 -2.521) 3.135 16.035 ( 5.095 -0.000 -2.394) 5.630 17.180 ( 8.051 -0.000 3.035) 8.605 ======================= Grid point 31 (21/230) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -7.689 3.193 -9.388) 12.548 1.068 ( 4.820 1.353 -1.206) 5.150 1.134 ( 6.390 -3.761 1.091) 7.495 1.439 ( 2.804 2.959 1.393) 4.308 1.455 ( -3.613 1.640 -2.175) 4.525 1.622 ( -2.764 0.021 -2.379) 3.646 1.900 ( -7.363 -0.812 3.872) 8.359 2.119 ( -1.919 -0.933 -3.593) 4.178 2.201 ( -0.922 -2.769 -6.961) 7.548 2.648 ( 5.282 -0.080 6.258) 8.189 3.698 ( 3.255 0.696 -2.041) 3.905 4.135 ( -5.389 1.198 5.828) 8.027 4.369 ( -2.918 0.416 2.127) 3.635 4.446 ( -0.649 0.882 -1.659) 1.988 5.859 ( 7.931 1.370 1.356) 8.162 7.667 ( -3.466 1.643 -19.972) 20.337 8.297 ( 6.171 -0.816 2.163) 6.590 10.234 ( 5.363 0.006 -11.720) 12.889 10.953 ( -1.370 0.765 14.210) 14.296 11.579 ( -1.287 0.305 9.899) 9.987 14.040 ( -10.433 0.747 -7.249) 12.726 14.642 ( 1.079 0.618 -2.742) 3.011 16.065 ( 3.039 1.766 -0.869) 3.621 17.301 ( 6.635 0.258 1.985) 6.930 ======================= Grid point 32 (22/230) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( -6.858 3.876 -8.967) 11.936 1.052 ( 0.454 4.714 -1.948) 5.121 1.234 ( 3.742 3.943 -0.247) 5.442 1.376 ( 0.337 1.547 -2.344) 2.828 1.414 ( -1.621 0.599 0.660) 1.849 1.652 ( 3.959 -2.851 1.746) 5.182 1.839 ( -7.097 -1.513 1.257) 7.364 2.119 ( -0.066 -3.643 -0.468) 3.673 2.172 ( -1.486 -3.805 -4.525) 6.096 2.736 ( 2.440 1.214 3.117) 4.141 3.706 ( 2.277 1.407 -1.678) 3.159 4.086 ( -4.575 2.868 4.200) 6.841 4.331 ( -2.304 1.504 0.474) 2.792 4.420 ( -0.339 1.100 -0.077) 1.154 5.923 ( 4.321 4.466 1.502) 6.393 7.459 ( -2.151 0.930 -13.743) 13.942 8.378 ( 3.705 0.129 0.181) 3.711 10.209 ( 2.668 0.512 -5.892) 6.488 11.025 ( -0.500 1.223 7.767) 7.878 11.636 ( 0.047 0.987 5.911) 5.993 13.864 ( -6.723 0.673 -3.791) 7.748 14.620 ( 0.388 1.237 -1.873) 2.278 16.058 ( 1.239 3.462 -0.046) 3.678 17.382 ( 3.894 0.527 1.143) 4.092 ======================= Grid point 33 (23/230) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -0.000 5.132 0.000) 5.132 0.956 ( -0.000 8.901 0.000) 8.901 1.125 ( -0.000 12.623 0.000) 12.623 1.397 ( 0.000 -2.911 -0.000) 2.911 1.431 ( 0.000 -2.829 -0.000) 2.829 1.775 ( 0.000 -1.816 -0.000) 1.816 1.777 ( 0.000 -4.453 -0.000) 4.453 2.156 ( 0.000 -2.294 -0.000) 2.294 2.203 ( 0.000 -6.236 -0.000) 6.236 2.740 ( -0.000 2.668 0.000) 2.668 3.694 ( -0.000 2.024 0.000) 2.024 4.027 ( -0.000 4.309 0.000) 4.309 4.290 ( -0.000 2.650 0.000) 2.650 4.405 ( -0.000 1.018 0.000) 1.018 5.887 ( -0.000 6.962 0.000) 6.962 7.372 ( -0.000 0.643 0.000) 0.643 8.398 ( -0.000 0.679 0.000) 0.679 10.191 ( -0.000 0.951 0.000) 0.951 11.041 ( -0.000 1.351 0.000) 1.351 11.649 ( -0.000 1.439 0.000) 1.439 13.790 ( -0.000 0.951 0.000) 0.951 14.594 ( -0.000 1.852 0.000) 1.852 16.016 ( -0.000 4.782 0.000) 4.782 17.408 ( -0.000 0.524 0.000) 0.524 ======================= Grid point 40 (24/230) ======================= q-point: ( 0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -7.101 0.000 -9.066) 11.516 1.098 ( 1.601 -0.000 -1.806) 2.413 1.246 ( 8.558 -0.000 2.030) 8.796 1.401 ( -2.011 0.000 -1.835) 2.722 1.476 ( -4.381 0.000 -0.692) 4.435 1.615 ( 4.517 -0.000 1.539) 4.772 1.819 ( -7.622 0.000 1.809) 7.834 2.057 ( -1.563 0.000 -1.848) 2.421 2.125 ( -0.248 0.000 -4.636) 4.643 2.751 ( 3.177 -0.000 3.429) 4.674 3.723 ( 2.147 -0.000 -1.538) 2.641 4.122 ( -3.770 0.000 3.735) 5.307 4.348 ( -2.221 0.000 0.861) 2.382 4.436 ( -0.271 0.000 -0.491) 0.561 5.978 ( 5.168 -0.000 2.155) 5.599 7.471 ( -2.615 0.000 -14.631) 14.863 8.379 ( 3.315 -0.000 1.918) 3.830 10.215 ( 3.207 -0.000 -6.197) 6.978 11.041 ( -0.760 0.000 7.962) 7.998 11.648 ( 0.026 -0.000 6.228) 6.228 13.874 ( -6.455 0.000 -4.462) 7.848 14.635 ( 0.457 -0.000 -1.784) 1.842 16.102 ( 1.528 -0.000 -0.338) 1.565 17.388 ( 3.849 -0.000 0.994) 3.975 ======================= Grid point 42 (25/230) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -0.000 2.150 0.000) 2.150 1.088 ( -0.000 2.078 0.000) 2.078 1.357 ( 0.000 -0.431 -0.000) 0.431 1.359 ( -0.000 5.678 0.000) 5.678 1.383 ( 0.000 -0.778 -0.000) 0.778 1.704 ( 0.000 -1.285 -0.000) 1.285 1.744 ( 0.000 -0.752 -0.000) 0.752 2.065 ( 0.000 -4.089 -0.000) 4.089 2.109 ( 0.000 -1.212 -0.000) 1.212 2.783 ( -0.000 0.898 0.000) 0.898 3.727 ( -0.000 0.690 0.000) 0.690 4.102 ( -0.000 1.688 0.000) 1.688 4.331 ( -0.000 0.771 0.000) 0.771 4.428 ( -0.000 0.654 0.000) 0.654 6.009 ( -0.000 2.726 0.000) 2.726 7.383 ( -0.000 0.242 0.000) 0.242 8.409 ( -0.000 0.242 0.000) 0.242 10.208 ( -0.000 0.368 0.000) 0.368 11.068 ( -0.000 0.649 0.000) 0.649 11.674 ( -0.000 0.555 0.000) 0.555 13.806 ( -0.000 0.383 0.000) 0.383 14.626 ( -0.000 0.705 0.000) 0.705 16.099 ( -0.000 1.868 0.000) 1.868 17.418 ( -0.000 0.215 0.000) 0.215 ======================= Grid point 83 (26/230) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.180 ( -2.272 0.000 10.803) 11.039 0.408 ( 7.765 -0.000 19.550) 21.036 0.659 ( -6.190 0.000 31.466) 32.069 1.428 ( -3.694 0.000 2.510) 4.466 1.728 ( 0.818 -0.000 -5.307) 5.369 1.761 ( 4.610 -0.000 -6.462) 7.938 2.045 ( 0.953 -0.000 1.919) 2.143 2.047 ( -3.259 0.000 1.695) 3.674 2.372 ( -0.669 0.000 0.020) 0.669 2.437 ( 8.163 -0.000 -2.386) 8.504 3.504 ( 1.067 -0.000 -3.129) 3.306 3.893 ( -9.939 0.000 -0.969) 9.986 4.135 ( -2.089 0.000 2.555) 3.300 4.354 ( 0.471 -0.000 -1.145) 1.238 5.587 ( -8.287 0.000 10.442) 13.331 7.716 ( 5.387 -0.000 -7.829) 9.503 10.015 ( 7.343 -0.000 -10.155) 12.532 10.920 ( -8.051 0.000 5.799) 9.922 11.324 ( -8.294 0.000 -21.111) 22.682 12.955 ( 76.326 -0.000 3.408) 76.402 14.202 (-168.239 0.000 9.040) 168.482 14.518 ( -1.489 0.000 3.948) 4.219 15.705 ( -1.040 0.000 -1.508) 1.832 16.583 ( 2.587 -0.000 1.752) 3.124 ======================= Grid point 84 (27/230) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 1.237 -2.024 11.708) 11.945 0.645 ( 0.138 -2.580 18.808) 18.984 0.945 ( 7.292 -3.427 22.066) 23.491 1.402 ( -2.905 -0.736 0.528) 3.043 1.672 ( 2.994 3.842 -5.792) 7.568 1.782 ( 3.014 -2.094 -5.626) 6.717 1.970 ( -3.761 4.369 2.797) 6.408 2.119 ( -0.943 -5.026 1.606) 5.360 2.356 ( 0.857 0.763 -1.318) 1.747 2.534 ( 9.017 -1.384 -8.583) 12.526 3.507 ( 3.062 -0.730 -3.382) 4.620 3.837 ( -2.462 -1.647 3.516) 4.597 4.175 ( 3.110 -1.525 2.389) 4.208 4.354 ( 0.787 0.086 -0.512) 0.942 5.595 ( -6.573 -2.600 10.148) 12.367 7.725 ( 5.071 -0.224 -6.545) 8.282 10.018 ( 5.251 3.540 -9.323) 11.271 10.493 ( -76.831 21.720 20.326) 82.389 10.883 ( -11.926 -1.896 3.822) 12.667 11.995 ( -58.178 27.209 51.022) 82.026 14.089 ( 39.768 10.861 -8.798) 42.153 14.564 ( 1.294 -2.794 2.888) 4.222 15.693 ( 0.114 -2.109 -2.436) 3.224 16.785 ( 0.859 -18.040 -3.683) 18.432 ======================= Grid point 85 (28/230) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 3.402 -4.546 10.434) 11.879 0.820 ( -1.043 -3.258 14.893) 15.281 1.223 ( 4.949 -2.395 8.018) 9.722 1.378 ( -0.808 -0.484 0.535) 1.083 1.620 ( 2.450 4.011 -3.842) 6.070 1.802 ( 3.510 -1.465 -3.478) 5.154 1.900 ( -3.251 4.244 4.803) 7.187 2.159 ( -2.602 -2.503 2.827) 4.586 2.358 ( 1.635 -1.255 -2.727) 3.419 2.545 ( 3.887 -0.234 -10.194) 10.912 3.538 ( 3.427 -1.375 -3.074) 4.805 3.903 ( 3.863 -2.146 2.822) 5.244 4.280 ( 5.484 -2.468 1.512) 6.201 4.365 ( 0.832 0.434 1.358) 1.651 5.646 ( -6.243 -4.971 10.517) 13.202 7.740 ( 4.164 0.305 -4.273) 5.975 9.412 ( -61.289 17.593 34.177) 72.346 10.124 ( 4.891 -4.758 -11.797) 13.628 10.824 ( -7.756 0.966 10.041) 12.724 11.694 ( -14.426 9.742 20.507) 26.899 14.273 ( 18.027 10.113 -2.794) 20.858 14.637 ( 1.950 -1.376 0.609) 2.463 15.725 ( 2.693 -3.714 -2.707) 5.327 16.937 ( 0.746 -10.853 -3.233) 11.349 ======================= Grid point 86 (29/230) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 3.020 -4.455 6.574) 8.496 0.957 ( -0.263 -3.237 9.450) 9.993 1.228 ( -3.521 1.736 -1.049) 4.063 1.419 ( 1.554 -1.253 -1.369) 2.420 1.566 ( -0.532 4.263 -0.500) 4.325 1.829 ( 0.148 -2.131 -4.164) 4.680 1.914 ( 3.915 3.200 9.136) 10.442 2.156 ( -3.305 -0.281 0.982) 3.459 2.378 ( 1.683 -2.472 -2.997) 4.234 2.496 ( 1.494 -0.160 -7.176) 7.331 3.569 ( 2.149 -1.293 -2.314) 3.412 4.019 ( 6.482 -1.244 2.148) 6.941 4.365 ( 2.822 -0.942 -1.783) 3.469 4.412 ( 1.556 -0.733 6.152) 6.388 5.722 ( -6.737 -5.632 11.282) 14.296 7.754 ( 2.975 1.126 -1.339) 3.452 8.843 ( -40.091 7.087 21.028) 45.822 10.144 ( 6.571 -4.691 -15.770) 17.716 10.830 ( -5.419 1.960 15.619) 16.648 11.612 ( -5.856 5.869 11.673) 14.318 14.340 ( 7.666 4.709 0.726) 9.026 14.646 ( -2.050 -0.221 0.120) 2.066 15.799 ( 3.965 -3.797 -1.771) 5.768 17.019 ( 1.091 -5.110 -2.580) 5.828 ======================= Grid point 87 (30/230) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -0.549 1.044 -0.851) 1.454 1.039 ( -2.106 -0.691 4.380) 4.909 1.180 ( -1.052 -0.880 3.008) 3.306 1.412 ( -0.088 -0.381 -4.514) 4.531 1.503 ( -2.822 2.030 1.913) 3.968 1.801 ( -2.275 -1.984 -4.994) 5.836 1.998 ( 2.241 2.836 6.139) 7.124 2.096 ( -1.256 1.947 -3.350) 4.073 2.399 ( 0.518 -2.450 -3.528) 4.326 2.511 ( 4.056 -1.874 0.397) 4.485 3.583 ( 0.791 -0.741 -1.933) 2.216 4.129 ( 5.544 0.130 2.443) 6.060 4.385 ( 1.254 0.255 0.059) 1.282 4.481 ( -1.795 -1.381 5.915) 6.334 5.783 ( -8.548 -3.902 12.192) 15.393 7.772 ( 1.252 1.661 3.049) 3.691 8.470 ( -26.197 2.940 7.052) 27.288 10.137 ( 5.505 -3.704 -15.476) 16.839 10.892 ( -4.088 2.385 17.985) 18.597 11.582 ( -2.506 4.359 7.948) 9.405 14.389 ( -0.214 -2.013 2.695) 3.371 14.615 ( -2.338 -0.394 0.292) 2.389 15.875 ( 2.279 -2.568 -0.187) 3.438 17.054 ( 2.278 -0.807 -2.159) 3.240 ======================= Grid point 88 (31/230) ======================= q-point: (-0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -4.194 6.796 -4.914) 9.377 0.989 ( -6.980 3.821 4.197) 8.996 1.256 ( 0.446 -1.449 3.638) 3.941 1.316 ( -4.359 -0.303 -9.678) 10.619 1.500 ( -0.513 -2.597 1.057) 2.850 1.754 ( -2.016 -2.650 -1.463) 3.637 2.012 ( -1.336 2.927 3.734) 4.930 2.054 ( 3.902 2.577 -3.124) 5.624 2.393 ( -0.754 -2.212 -3.654) 4.337 2.617 ( 5.198 -1.906 1.527) 5.743 3.575 ( -0.214 -0.134 -1.913) 1.930 4.203 ( 2.705 0.783 3.042) 4.145 4.395 ( 0.413 0.547 0.726) 0.998 4.492 ( -6.697 -0.947 6.108) 9.113 5.792 ( -11.318 -1.127 13.475) 17.634 7.803 ( -3.560 1.872 12.410) 13.046 8.168 ( -14.771 3.120 -5.045) 15.918 10.117 ( 4.862 -2.150 -12.873) 13.927 10.961 ( -4.238 2.651 17.049) 17.767 11.572 ( -0.934 3.420 5.630) 6.653 14.428 ( -8.193 -8.473 4.869) 12.752 14.620 ( -0.056 -2.642 0.857) 2.778 15.909 ( -1.079 -0.975 1.188) 1.878 17.071 ( 4.530 2.796 -1.258) 5.470 ======================= Grid point 89 (32/230) ======================= q-point: (-0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -5.253 7.935 -3.514) 10.144 0.850 ( -11.542 7.276 8.671) 16.166 1.014 ( -12.591 4.586 -15.020) 20.128 1.377 ( 1.947 -3.180 3.455) 5.084 1.555 ( 2.095 -4.644 -1.781) 5.397 1.802 ( 0.992 -3.911 2.745) 4.880 1.965 ( -2.083 3.060 0.324) 3.716 2.079 ( 6.416 2.769 -0.908) 7.047 2.371 ( -1.889 -2.138 -3.333) 4.387 2.690 ( 3.336 -0.512 -2.687) 4.314 3.552 ( -0.516 0.101 -1.838) 1.911 4.238 ( -0.460 -0.180 2.424) 2.474 4.394 ( -0.271 0.569 0.314) 0.704 4.430 ( -10.738 0.275 5.840) 12.226 5.752 ( -13.588 0.093 15.212) 20.397 7.828 ( -25.146 0.071 33.184) 41.636 7.958 ( 10.547 6.828 -11.568) 17.079 10.095 ( 4.521 -0.292 -9.964) 10.946 11.006 ( -4.744 2.613 14.025) 15.035 11.571 ( -0.113 2.337 3.357) 4.091 14.466 ( -9.620 -9.390 6.522) 14.942 14.688 ( -6.109 -12.270 3.472) 14.140 15.892 ( -4.347 -0.124 1.997) 4.785 17.091 ( 7.612 6.616 0.387) 10.093 ======================= Grid point 90 (33/230) ======================= q-point: (-0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( -4.399 6.608 2.984) 8.481 0.601 ( -16.624 6.097 -10.390) 20.530 0.704 ( -13.714 8.893 13.027) 20.901 1.445 ( -0.739 -1.225 3.634) 3.905 1.629 ( 3.914 -5.360 -4.545) 8.044 1.875 ( 0.408 -0.077 -1.810) 1.857 1.918 ( 0.185 -0.045 3.525) 3.530 2.123 ( 7.359 4.458 -1.971) 8.827 2.342 ( -2.763 -3.098 -2.574) 4.884 2.652 ( -0.630 2.051 -8.922) 9.176 3.532 ( -0.101 -0.120 -1.621) 1.629 4.230 ( -3.329 -2.628 -4.134) 5.923 4.309 ( -11.484 1.484 4.471) 12.413 4.380 ( -0.680 0.441 -0.780) 1.125 5.701 ( -14.254 -0.711 14.699) 20.488 7.737 ( -6.784 0.961 5.714) 8.921 8.251 ( 2.223 -3.597 77.173) 77.289 10.072 ( 4.740 1.586 -7.342) 8.881 11.017 ( -4.702 2.428 10.278) 11.560 11.567 ( 0.161 1.207 0.197) 1.234 14.503 ( -5.116 -4.026 5.407) 8.463 14.828 ( -24.216 -35.481 10.848) 44.306 15.839 ( -6.857 -0.945 2.179) 7.257 17.122 ( 12.089 11.227 0.562) 16.508 ======================= Grid point 91 (34/230) ======================= q-point: (-0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.198 ( 0.108 7.170 10.354) 12.594 0.246 ( -12.347 4.251 2.888) 13.374 0.589 ( -14.682 6.231 26.415) 30.857 1.453 ( -3.382 0.244 3.710) 5.026 1.701 ( 3.825 -5.152 -6.186) 8.913 1.813 ( 0.801 3.440 -4.677) 5.861 1.993 ( 1.553 -1.903 2.339) 3.392 2.106 ( 3.365 7.056 -1.783) 8.019 2.340 ( -1.883 -4.696 -1.109) 5.180 2.490 ( -3.939 5.185 -5.561) 8.563 3.520 ( 0.354 -0.129 -2.285) 2.316 4.098 ( -9.656 -1.490 -11.878) 15.380 4.188 ( -7.825 1.334 2.903) 8.453 4.362 ( 0.006 0.196 -1.156) 1.173 5.636 ( -12.005 0.448 11.061) 16.330 7.717 ( 3.883 0.442 -6.003) 7.163 9.890 ( 28.551 -34.577 52.543) 69.076 10.224 ( 43.723 -26.281 86.575) 100.487 11.018 ( 1.603 3.898 10.539) 11.351 11.551 ( 0.746 -0.553 -0.225) 0.956 14.515 ( -2.205 0.340 3.746) 4.360 15.096 ( -60.464 -82.250 10.163) 102.588 15.774 ( -9.588 -3.996 0.960) 10.432 17.055 ( 10.595 26.396 -18.151) 33.741 ======================= Grid point 93 (35/230) ======================= q-point: ( 0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 3.647 -0.000 11.959) 12.503 0.782 ( -1.649 0.000 17.996) 18.071 1.188 ( 8.047 -0.000 10.726) 13.409 1.366 ( -1.488 0.000 -1.027) 1.808 1.697 ( 3.519 -0.000 -5.220) 6.296 1.756 ( 2.384 -0.000 -3.928) 4.595 1.987 ( -2.634 0.000 4.053) 4.834 2.099 ( -2.171 0.000 5.633) 6.037 2.339 ( 0.412 -0.000 -3.976) 3.998 2.539 ( 4.881 -0.000 -10.753) 11.809 3.521 ( 3.679 -0.000 -2.898) 4.684 3.876 ( 4.864 -0.000 3.105) 5.771 4.248 ( 6.364 -0.000 0.831) 6.418 4.371 ( 0.836 -0.000 1.871) 2.050 5.581 ( -5.923 0.000 9.890) 11.528 7.748 ( 6.854 -0.000 -6.298) 9.309 9.668 ( -79.668 0.000 29.014) 84.787 10.050 ( 10.284 -0.000 -14.743) 17.976 10.835 ( -7.527 0.000 11.479) 13.727 11.849 ( -31.313 0.000 30.146) 43.466 14.520 ( 25.135 -0.000 -17.813) 30.807 14.564 ( 0.188 -0.000 2.764) 2.770 15.678 ( 3.875 -0.000 -3.370) 5.136 16.745 ( 5.323 -0.000 3.551) 6.399 ======================= Grid point 94 (36/230) ======================= q-point: ( 0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 5.122 -0.831 10.058) 11.317 0.907 ( -1.615 -0.959 14.054) 14.179 1.277 ( 0.467 2.109 -1.572) 2.672 1.364 ( 0.448 -2.563 -1.213) 2.871 1.672 ( 2.149 3.800 -3.159) 5.388 1.769 ( 0.356 -2.508 -3.543) 4.356 2.010 ( 2.032 3.921 9.227) 10.229 2.128 ( -3.042 -1.958 4.708) 5.937 2.315 ( 0.468 -2.044 -4.943) 5.369 2.484 ( 0.937 -0.479 -9.862) 9.918 3.549 ( 3.212 -0.404 -2.308) 3.975 4.000 ( 8.158 -0.402 3.210) 8.776 4.333 ( 5.430 -0.926 -2.353) 5.990 4.416 ( 1.171 0.356 5.893) 6.019 5.612 ( -4.857 -2.703 9.841) 11.302 7.793 ( 8.068 1.311 -4.759) 9.458 8.976 ( -54.043 3.245 22.879) 58.776 10.058 ( 9.068 -1.991 -16.349) 18.801 10.864 ( -5.403 0.746 15.918) 16.827 11.731 ( -15.273 3.085 18.120) 23.898 14.513 ( 6.248 7.606 -5.792) 11.421 14.629 ( 1.058 -1.952 -3.477) 4.125 15.737 ( 7.549 -1.239 -3.392) 8.368 16.882 ( 5.451 -4.514 1.716) 7.282 ======================= Grid point 95 (37/230) ======================= q-point: ( 0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 5.146 0.379 5.508) 7.547 1.009 ( -0.740 -1.322 9.408) 9.529 1.204 ( -2.628 2.154 -2.630) 4.297 1.373 ( -0.339 -1.961 -2.944) 3.554 1.602 ( -2.242 4.746 -0.963) 5.337 1.753 ( -1.438 -1.975 -4.498) 5.119 2.071 ( 0.571 2.895 6.939) 7.540 2.128 ( -0.890 1.067 -0.372) 1.439 2.320 ( 0.182 -3.814 -4.379) 5.810 2.453 ( 2.303 -2.599 -2.686) 4.390 3.572 ( 2.462 -0.209 -2.173) 3.291 4.138 ( 6.766 0.409 4.389) 8.075 4.377 ( 2.764 -0.729 -1.722) 3.337 4.474 ( -0.511 0.556 6.209) 6.255 5.681 ( -3.847 -3.775 9.706) 11.102 7.843 ( 7.390 3.409 -1.379) 8.254 8.512 ( -35.261 0.631 11.704) 37.158 10.058 ( 7.415 -2.512 -14.893) 16.825 10.940 ( -3.652 1.475 17.562) 17.998 11.673 ( -7.983 2.847 11.960) 14.658 14.427 ( -1.670 4.036 -4.566) 6.319 14.614 ( -1.169 0.025 -0.312) 1.211 15.831 ( 7.212 -1.042 -2.023) 7.562 17.008 ( 5.605 -2.534 0.010) 6.151 ======================= Grid point 96 (38/230) ======================= q-point: (-0.56 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 2.162 6.016 -1.824) 6.648 1.045 ( -3.135 1.274 3.968) 5.215 1.189 ( 0.709 -3.528 2.338) 4.291 1.339 ( -1.880 1.335 -5.374) 5.848 1.502 ( -4.051 2.847 0.958) 5.043 1.704 ( -2.816 -1.421 -2.831) 4.239 2.069 ( -3.106 1.502 3.500) 4.915 2.099 ( 1.781 1.484 -2.257) 3.235 2.316 ( -0.810 -4.015 -5.755) 7.064 2.556 ( 5.124 -2.896 3.090) 6.648 3.579 ( 1.752 0.391 -2.565) 3.131 4.234 ( 2.654 1.497 5.295) 6.110 4.399 ( 0.933 -0.259 -0.191) 0.987 4.487 ( -4.443 0.628 5.799) 7.333 5.752 ( -3.955 -1.984 9.444) 10.429 7.877 ( -1.142 4.144 8.920) 9.902 8.202 ( -16.903 -0.365 -1.648) 16.988 10.063 ( 6.288 -2.079 -11.193) 13.005 11.022 ( -3.431 2.120 16.137) 16.633 11.647 ( -4.067 2.575 7.797) 9.163 14.309 ( -8.659 -1.246 -1.271) 8.840 14.603 ( -0.107 0.428 0.165) 0.472 15.905 ( 4.400 0.277 -0.559) 4.444 17.099 ( 6.588 0.034 -0.661) 6.621 ======================= Grid point 97 (39/230) ======================= q-point: (-0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -2.099 9.594 -4.359) 10.745 1.003 ( -5.019 4.500 6.035) 9.048 1.126 ( -7.571 4.202 -13.541) 16.072 1.311 ( 3.011 -1.645 4.962) 6.032 1.471 ( -1.542 -1.549 1.438) 2.616 1.708 ( -0.074 -3.605 1.841) 4.048 2.021 ( -4.328 1.527 1.693) 4.892 2.112 ( 4.102 0.089 -1.838) 4.496 2.301 ( -1.333 -3.754 -5.115) 6.483 2.665 ( 3.565 -1.287 1.306) 4.009 3.566 ( 1.421 0.978 -3.105) 3.552 4.262 ( -2.163 1.889 5.053) 5.812 4.403 ( -0.594 0.139 0.262) 0.664 4.444 ( -7.946 0.971 5.824) 9.899 5.777 ( -5.078 1.510 9.452) 10.835 7.833 ( -24.325 0.456 26.426) 35.920 8.079 ( 11.310 3.243 -12.360) 17.064 10.080 ( 5.381 -0.826 -7.038) 8.898 11.070 ( -4.005 2.491 12.562) 13.418 11.631 ( -1.766 2.426 4.009) 5.008 14.217 ( -13.391 -6.866 3.038) 15.352 14.598 ( -0.819 -0.056 0.309) 0.878 15.927 ( 1.263 2.162 0.310) 2.523 17.180 ( 7.901 1.737 -0.608) 8.112 ======================= Grid point 98 (40/230) ======================= q-point: (-0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -3.012 8.984 -0.604) 9.494 0.798 ( -9.597 10.007 -9.293) 16.691 0.918 ( -7.280 8.063 8.477) 13.779 1.409 ( 2.208 -1.569 3.676) 4.566 1.508 ( 1.074 -4.247 -1.147) 4.528 1.796 ( 1.396 -4.370 3.433) 5.730 1.955 ( -3.579 1.056 -0.278) 3.742 2.164 ( 5.399 -0.619 -2.382) 5.933 2.281 ( -1.133 -2.520 -4.051) 4.903 2.689 ( 0.055 1.186 -2.203) 2.503 3.545 ( 1.672 1.159 -3.303) 3.879 4.217 ( -7.343 1.453 3.629) 8.319 4.354 ( -9.155 2.054 4.877) 10.574 4.389 ( -1.231 0.339 -0.207) 1.294 5.749 ( -6.394 4.091 10.085) 12.622 7.747 ( -19.052 -0.261 23.565) 30.304 8.202 ( 9.347 -0.513 16.111) 18.633 10.101 ( 4.486 0.821 -3.476) 5.734 11.075 ( -4.268 2.193 8.098) 9.413 11.607 ( -0.451 1.994 -0.196) 2.054 14.161 ( -19.863 -12.277 7.662) 24.575 14.581 ( -2.540 0.296 1.083) 2.777 15.896 ( -0.839 3.768 0.446) 3.886 17.258 ( 8.461 2.477 -1.297) 8.911 ======================= Grid point 99 (41/230) ======================= q-point: (-0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -3.015 5.853 7.967) 10.335 0.500 ( -1.277 14.122 -2.893) 14.472 0.803 ( -9.761 9.867 17.608) 22.420 1.459 ( -1.070 0.112 3.678) 3.832 1.571 ( 2.894 -5.239 -4.030) 7.215 1.851 ( -0.905 -0.561 -2.245) 2.484 1.939 ( 0.298 -2.649 1.603) 3.110 2.216 ( 4.819 -0.370 -3.445) 5.935 2.265 ( 1.226 -0.560 -3.976) 4.198 2.607 ( -2.413 4.313 -3.169) 5.871 3.528 ( 1.973 0.999 -3.253) 3.934 4.092 ( -11.480 1.656 1.367) 11.679 4.244 ( -7.290 3.123 3.773) 8.783 4.367 ( -0.225 0.263 -1.375) 1.418 5.694 ( -7.200 4.656 10.799) 13.789 7.733 ( -4.399 0.724 7.763) 8.952 8.795 ( -1.496 -29.126 77.957) 83.233 10.128 ( 3.521 1.123 1.915) 4.163 11.057 ( -3.541 0.635 4.930) 6.103 11.561 ( -0.340 1.208 -4.621) 4.788 14.076 ( -31.628 -14.741 11.598) 36.772 14.550 ( -2.255 1.722 3.128) 4.223 15.829 ( -1.514 4.435 -0.194) 4.691 17.300 ( 6.243 3.297 -6.654) 9.701 ======================= Grid point 100 (42/230) ======================= q-point: (-0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( -2.504 7.902 6.876) 10.770 0.506 ( 6.896 7.142 15.164) 18.125 0.771 ( -4.539 7.871 25.052) 26.648 1.446 ( -3.350 1.254 2.709) 4.487 1.632 ( 3.159 -4.848 -5.917) 8.276 1.813 ( 0.999 0.761 -4.254) 4.436 1.964 ( -3.136 -2.657 0.299) 4.121 2.196 ( 2.285 5.261 -5.204) 7.745 2.302 ( 2.952 -3.022 0.835) 4.306 2.524 ( 3.515 4.492 -2.854) 6.378 3.514 ( 2.127 0.975 -3.430) 4.152 3.925 ( -9.804 2.725 2.049) 10.380 4.171 ( -2.165 2.783 2.926) 4.582 4.355 ( 0.442 0.054 -1.393) 1.463 5.638 ( -7.090 4.157 10.627) 13.434 7.727 ( 2.558 1.012 -3.565) 4.503 9.880 ( -2.621 -28.175 19.798) 34.535 10.411 ( -25.937 -43.802 56.553) 76.089 11.078 ( -10.990 -9.357 4.755) 15.197 11.586 ( 0.214 -14.700 17.834) 23.113 13.866 ( -24.603 -2.720 12.255) 27.620 14.548 ( -0.384 1.730 4.773) 5.092 15.754 ( -1.006 3.814 -1.388) 4.182 17.143 ( -1.711 13.872 -16.151) 21.359 ======================= Grid point 103 (43/230) ======================= q-point: ( 0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 6.318 -0.000 7.982) 10.180 0.990 ( -1.895 0.000 11.615) 11.769 1.239 ( -3.023 0.000 -7.378) 7.974 1.343 ( 0.915 -0.000 0.294) 0.961 1.692 ( -3.624 0.000 -3.445) 5.000 1.703 ( 1.399 -0.000 -2.800) 3.130 2.103 ( -3.898 0.000 4.175) 5.712 2.166 ( 3.322 -0.000 6.017) 6.873 2.249 ( -0.856 0.000 -5.719) 5.783 2.415 ( 1.617 -0.000 -5.048) 5.301 3.570 ( 3.139 -0.000 -2.288) 3.885 4.144 ( 7.034 -0.000 5.442) 8.894 4.366 ( 3.868 -0.000 -2.736) 4.738 4.485 ( -0.152 0.000 6.362) 6.363 5.631 ( -1.994 0.000 9.063) 9.280 7.893 ( 11.357 -0.000 -5.077) 12.440 8.515 ( -40.912 0.000 14.841) 43.521 10.026 ( 8.296 -0.000 -14.771) 16.942 10.958 ( -3.566 0.000 17.458) 17.818 11.709 ( -10.707 0.000 13.643) 17.343 14.499 ( -4.427 0.000 -9.331) 10.328 14.609 ( 0.864 -0.000 0.532) 1.015 15.820 ( 9.397 -0.000 -3.229) 9.936 16.968 ( 7.592 -0.000 1.816) 7.806 ======================= Grid point 104 (44/230) ======================= q-point: ( 0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 6.316 2.525 3.774) 7.779 1.062 ( -1.791 -0.316 8.736) 8.924 1.111 ( -5.104 -1.765 -7.319) 9.096 1.370 ( 2.066 0.874 1.191) 2.540 1.584 ( -5.011 2.582 -2.638) 6.224 1.687 ( -1.499 -0.157 -2.457) 2.882 2.082 ( -3.985 0.070 3.341) 5.201 2.143 ( -1.661 2.155 -3.305) 4.281 2.215 ( -1.520 -3.828 -6.370) 7.586 2.497 ( 6.632 -1.527 4.731) 8.288 3.588 ( 2.989 0.261 -2.887) 4.164 4.262 ( 2.084 0.656 7.735) 8.037 4.390 ( 2.509 -0.296 -2.032) 3.242 4.509 ( -3.539 0.743 5.591) 6.658 5.711 ( 1.061 -1.049 8.301) 8.435 7.984 ( 7.131 3.869 -1.231) 8.206 8.160 ( -25.837 -2.417 6.992) 26.875 10.026 ( 7.404 -0.826 -10.376) 12.773 11.057 ( -3.111 0.764 15.598) 15.924 11.690 ( -6.235 0.913 9.424) 11.336 14.322 ( -9.580 1.031 -5.988) 11.345 14.619 ( 0.415 0.538 0.365) 0.772 15.914 ( 7.754 0.294 -2.115) 8.043 17.091 ( 8.275 -0.419 0.419) 8.296 ======================= Grid point 105 (45/230) ======================= q-point: (-0.56 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -3.430 6.293 -5.537) 9.056 1.052 ( 0.200 -0.128 2.602) 2.613 1.144 ( -0.330 -2.414 1.678) 2.959 1.361 ( 0.752 5.102 -0.597) 5.192 1.485 ( -3.562 1.568 1.585) 4.202 1.645 ( -2.060 -1.196 -0.274) 2.398 2.041 ( -6.721 0.280 2.781) 7.278 2.096 ( 1.104 -0.937 -2.654) 3.024 2.193 ( -1.102 -4.742 -6.084) 7.792 2.639 ( 5.516 -0.801 3.951) 6.832 3.591 ( 2.936 0.925 -3.818) 4.905 4.310 ( -3.363 1.643 8.065) 8.891 4.402 ( 0.795 -0.138 -1.114) 1.376 4.475 ( -6.301 1.328 5.086) 8.206 5.808 ( 2.065 0.900 7.617) 7.943 7.850 ( -25.146 0.830 18.563) 31.266 8.124 ( 12.202 0.794 -9.609) 15.552 10.062 ( 6.446 -0.609 -5.158) 8.278 11.118 ( -3.722 1.376 11.348) 12.022 11.679 ( -2.967 1.425 4.889) 5.894 14.138 ( -11.875 -0.786 -1.878) 12.048 14.617 ( -0.142 1.079 1.073) 1.528 15.975 ( 4.894 1.555 -1.092) 5.249 17.202 ( 8.382 0.405 -0.584) 8.412 ======================= Grid point 106 (46/230) ======================= q-point: (-0.44 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -6.690 5.673 -3.495) 9.442 1.053 ( -3.866 9.603 -2.544) 10.660 1.067 ( 0.819 4.290 2.391) 4.979 1.371 ( 2.207 -1.578 3.277) 4.254 1.454 ( -2.056 0.466 2.447) 3.229 1.689 ( 1.085 -4.240 2.964) 5.286 1.958 ( -7.113 -0.512 0.020) 7.132 2.129 ( 2.497 -1.979 -0.667) 3.255 2.192 ( -0.547 -4.660 -4.666) 6.617 2.715 ( 2.405 1.006 1.164) 2.855 3.581 ( 3.336 1.575 -4.585) 5.885 4.274 ( -8.048 2.614 7.201) 11.111 4.393 ( -0.054 0.525 -1.664) 1.745 4.407 ( -7.252 1.709 5.214) 9.093 5.860 ( 0.311 4.366 7.171) 8.402 7.731 ( -21.903 -0.805 27.464) 35.137 8.208 ( 11.968 0.649 -5.161) 13.050 10.116 ( 5.027 0.470 -0.716) 5.099 11.120 ( -4.572 1.489 5.940) 7.642 11.654 ( -1.040 1.735 -0.356) 2.054 13.998 ( -12.805 -2.876 2.839) 13.428 14.609 ( -0.790 1.573 2.383) 2.962 15.986 ( 2.209 3.304 -0.575) 4.016 17.294 ( 7.518 0.874 -1.440) 7.704 ======================= Grid point 107 (47/230) ======================= q-point: (-0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -2.872 5.538 5.781) 8.505 0.849 ( 0.654 14.110 -2.886) 14.417 1.023 ( -4.018 7.870 9.899) 13.269 1.444 ( 0.064 -2.078 3.030) 3.674 1.470 ( 0.862 -2.136 0.454) 2.347 1.790 ( 1.499 -3.936 2.152) 4.730 1.876 ( -5.751 -2.348 -1.379) 6.363 2.183 ( 1.774 -1.369 1.434) 2.660 2.214 ( 2.375 -4.184 -5.294) 7.154 2.699 ( -0.480 3.201 -1.481) 3.559 3.567 ( 3.979 1.972 -4.859) 6.583 4.164 ( -10.720 3.682 5.875) 12.766 4.325 ( -6.004 3.248 4.546) 8.202 4.375 ( 0.146 0.348 -2.118) 2.152 5.839 ( -2.859 6.607 7.909) 10.695 7.745 ( -13.029 0.189 25.338) 28.492 8.398 ( 3.263 -8.011 20.163) 21.940 10.167 ( 3.436 1.766 2.297) 4.495 11.070 ( -5.230 0.575 1.245) 5.407 11.597 ( -0.499 1.580 -5.878) 6.107 13.907 ( -12.461 -2.596 7.170) 14.609 14.601 ( -1.130 2.252 4.091) 4.804 15.947 ( 0.347 4.864 -0.617) 4.915 17.347 ( 4.871 1.191 -3.491) 6.110 ======================= Grid point 108 (48/230) ======================= q-point: (-0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.635 8.416 8.008) 11.635 0.732 ( 4.904 11.298 5.691) 13.567 0.979 ( -2.501 8.695 16.028) 18.405 1.463 ( -2.963 -0.790 1.486) 3.407 1.523 ( 2.207 -3.296 -1.365) 4.195 1.794 ( -2.440 -1.781 -2.498) 3.920 1.886 ( -1.300 -4.002 0.170) 4.211 2.234 ( 1.573 -2.290 -4.256) 5.083 2.256 ( 4.120 -0.671 1.173) 4.336 2.625 ( 0.231 3.726 -3.477) 5.102 3.554 ( 4.188 2.208 -4.762) 6.715 4.019 ( -9.423 4.647 4.835) 11.565 4.257 ( -2.520 4.041 4.020) 6.233 4.357 ( 0.693 0.192 -2.263) 2.375 5.777 ( -5.338 6.852 9.696) 13.018 7.767 ( -3.539 2.313 7.761) 8.837 8.891 ( -15.478 -28.312 56.973) 65.476 10.207 ( 1.360 1.954 4.610) 5.189 10.996 ( -7.053 -1.387 -0.736) 7.225 11.512 ( -0.087 0.404 -7.398) 7.410 13.858 ( -5.975 0.772 9.376) 11.145 14.600 ( -0.680 2.471 5.314) 5.900 15.873 ( -0.497 5.635 -1.194) 5.782 17.313 ( 0.389 3.340 -7.407) 8.135 ======================= Grid point 109 (49/230) ======================= q-point: (-0.11 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 1.365 9.754 7.553) 12.412 0.761 ( 0.836 6.693 13.052) 14.692 1.068 ( 6.173 5.925 17.364) 19.358 1.418 ( -4.237 -0.140 -0.387) 4.257 1.576 ( 2.324 -3.546 -3.144) 5.279 1.784 ( 0.487 -2.077 -2.025) 2.941 1.893 ( -2.542 -1.972 0.086) 3.218 2.207 ( -0.939 1.527 -1.987) 2.676 2.336 ( 3.477 -0.621 0.921) 3.651 2.575 ( 4.067 1.545 -7.606) 8.763 3.543 ( 3.904 2.147 -4.189) 6.115 3.910 ( -3.622 4.149 3.897) 6.747 4.240 ( 2.085 3.595 3.463) 5.409 4.351 ( 0.977 -0.115 -1.393) 1.705 5.707 ( -6.387 6.212 10.686) 13.913 7.744 ( 0.814 1.738 -1.663) 2.539 9.432 ( -42.294 -35.230 51.904) 75.657 10.216 ( -3.640 1.550 2.863) 4.884 10.890 ( -10.224 -0.995 0.951) 10.316 11.539 ( -1.807 -8.036 8.190) 11.615 13.953 ( 12.134 -1.144 5.725) 13.465 14.616 ( 0.451 1.908 4.465) 4.876 15.786 ( -0.040 5.274 -2.023) 5.649 17.143 ( -2.538 9.203 -8.899) 13.052 ======================= Grid point 113 (50/230) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -8.680 0.000 -9.034) 12.528 1.018 ( 8.022 -0.000 3.060) 8.585 1.112 ( -1.940 0.000 8.706) 8.920 1.438 ( 3.663 -0.000 2.470) 4.418 1.503 ( -5.121 0.000 -2.272) 5.602 1.644 ( -2.870 0.000 -1.712) 3.342 2.043 ( -7.494 0.000 3.762) 8.385 2.092 ( -1.980 0.000 -5.060) 5.434 2.113 ( 0.134 -0.000 -4.989) 4.991 2.629 ( 6.569 -0.000 4.880) 8.183 3.604 ( 3.440 -0.000 -3.995) 5.272 4.331 ( -4.223 0.000 9.882) 10.746 4.400 ( 2.062 -0.000 -2.427) 3.185 4.493 ( -5.944 0.000 4.699) 7.577 5.819 ( 4.798 -0.000 7.388) 8.809 7.862 ( -26.283 0.000 14.885) 30.205 8.131 ( 13.320 -0.000 -7.850) 15.461 10.054 ( 6.921 -0.000 -4.518) 8.265 11.135 ( -3.606 0.000 10.856) 11.439 11.696 ( -3.398 0.000 5.324) 6.316 14.134 ( -11.716 0.000 -3.717) 12.292 14.632 ( -0.109 0.000 1.404) 1.409 15.995 ( 6.261 -0.000 -1.833) 6.524 17.206 ( 8.711 -0.000 -0.390) 8.720 ======================= Grid point 114 (51/230) ======================= q-point: (-0.56 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -8.094 2.236 -4.319) 9.442 1.132 ( 2.815 1.952 5.391) 6.388 1.171 ( 2.219 -0.378 4.338) 4.888 1.404 ( -2.058 3.888 -1.163) 4.550 1.488 ( -0.995 0.848 0.893) 1.583 1.610 ( -0.121 -1.814 0.990) 2.070 1.947 ( -8.603 -0.232 0.112) 8.607 2.058 ( -0.080 -3.249 -3.502) 4.778 2.110 ( 0.179 -1.400 0.154) 1.420 2.733 ( 3.982 0.395 2.371) 4.651 3.610 ( 4.041 0.689 -5.007) 6.471 4.322 ( -8.568 1.105 9.463) 12.813 4.400 ( 1.000 0.133 -2.349) 2.557 4.442 ( -6.102 0.870 4.050) 7.375 5.937 ( 4.139 1.732 6.380) 7.800 7.716 ( -21.502 -0.357 25.702) 33.512 8.222 ( 12.037 0.332 -9.824) 15.541 10.124 ( 5.605 0.174 0.847) 5.671 11.145 ( -4.500 0.538 4.599) 6.457 11.685 ( -1.396 0.672 -0.282) 1.575 13.968 ( -10.563 -0.293 0.571) 10.583 14.641 ( -0.725 0.819 3.137) 3.323 16.043 ( 4.070 1.272 -1.452) 4.505 17.307 ( 7.407 0.268 -1.363) 7.536 ======================= Grid point 115 (52/230) ======================= q-point: (-0.44 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -2.667 3.791 5.218) 6.979 1.135 ( -3.876 6.908 6.967) 10.549 1.184 ( 5.203 7.203 -1.876) 9.082 1.382 ( 0.213 -1.920 2.206) 2.932 1.457 ( -2.798 0.000 2.832) 3.981 1.689 ( 2.938 -3.765 1.837) 5.117 1.834 ( -8.205 -1.084 -1.276) 8.374 2.091 ( 1.482 -5.195 -3.769) 6.588 2.150 ( 0.764 -1.358 3.840) 4.144 2.758 ( 0.576 1.683 -0.856) 1.974 3.610 ( 4.820 1.422 -5.517) 7.462 4.245 ( -10.276 2.670 7.675) 13.101 4.376 ( -3.491 0.468 1.472) 3.817 4.396 ( -0.603 1.759 0.098) 1.862 5.980 ( -0.244 4.489 5.979) 7.481 7.744 ( -16.200 -0.177 35.883) 39.371 8.293 ( 8.412 -1.938 -5.366) 10.164 10.204 ( 3.723 1.172 4.498) 5.955 11.085 ( -5.312 0.528 -1.406) 5.520 11.631 ( -0.760 1.049 -6.508) 6.636 13.880 ( -7.015 -0.290 5.583) 8.970 14.649 ( -1.143 1.568 4.852) 5.226 16.046 ( 1.974 3.032 -1.177) 3.805 17.367 ( 4.592 0.556 -2.555) 5.284 ======================= Grid point 116 (53/230) ======================= q-point: (-0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 3.449 5.192 10.692) 12.376 1.018 ( 0.912 11.374 1.042) 11.458 1.165 ( 0.414 6.047 7.301) 9.489 1.416 ( -1.913 -1.340 1.649) 2.859 1.475 ( -1.166 -1.820 3.504) 4.117 1.741 ( -6.427 -2.958 -1.390) 7.211 1.787 ( 2.917 -3.265 0.107) 4.380 2.146 ( 2.064 -4.464 -2.634) 5.579 2.228 ( 2.548 -1.487 4.475) 5.360 2.700 ( -1.669 2.455 -4.037) 5.011 3.608 ( 5.135 2.022 -5.526) 7.810 4.129 ( -9.080 4.128 5.841) 11.559 4.339 ( -3.242 1.687 4.035) 5.444 4.374 ( 1.747 1.849 -2.324) 3.445 5.939 ( -4.701 5.994 7.891) 10.968 7.838 ( -8.709 3.413 23.694) 25.474 8.461 ( -2.603 -10.657 20.300) 23.075 10.268 ( 2.312 2.495 5.688) 6.628 10.976 ( -6.169 -0.341 -4.793) 7.819 11.531 ( -0.406 0.876 -10.591) 10.635 13.882 ( -1.649 1.030 9.199) 9.402 14.657 ( -1.390 2.064 5.852) 6.360 16.004 ( 0.390 4.785 -1.114) 4.929 17.364 ( 0.705 1.270 -4.372) 4.608 ======================= Grid point 117 (54/230) ======================= q-point: (-0.22 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 2.442 9.439 6.734) 11.849 0.947 ( 1.438 8.280 6.195) 10.440 1.205 ( 4.486 4.570 10.407) 12.219 1.384 ( -5.219 -1.498 -1.702) 5.691 1.513 ( -0.940 -2.077 2.802) 3.613 1.714 ( -2.416 -3.192 0.930) 4.109 1.848 ( 2.240 -2.049 -1.899) 3.581 2.195 ( 0.865 -2.041 -0.849) 2.374 2.320 ( 3.413 -1.002 3.095) 4.716 2.606 ( -1.011 1.148 -7.050) 7.214 3.600 ( 4.426 2.386 -4.964) 7.066 4.021 ( -4.926 4.658 4.109) 7.928 4.326 ( -0.735 2.207 4.837) 5.368 4.359 ( 2.578 1.787 -2.450) 3.980 5.864 ( -7.140 6.173 10.616) 14.205 7.824 ( -3.458 5.042 5.533) 8.246 8.789 ( -19.654 -18.673 41.084) 49.222 10.297 ( 2.181 3.923 2.150) 4.977 10.856 ( -7.741 -1.416 -2.611) 8.292 11.451 ( 1.426 -1.255 -7.151) 7.399 13.970 ( 5.183 1.828 9.564) 11.031 14.663 ( -1.466 1.957 5.398) 5.927 15.927 ( -0.264 5.926 -1.316) 6.076 17.277 ( -2.564 3.061 -6.086) 7.279 ======================= Grid point 118 (55/230) ======================= q-point: (-0.11 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 1.748 9.461 6.177) 11.434 0.937 ( -0.236 5.977 8.867) 10.695 1.281 ( -3.084 1.827 1.936) 4.073 1.356 ( 3.728 -2.225 2.208) 4.871 1.542 ( -1.027 -2.311 0.473) 2.573 1.771 ( 1.303 -2.996 5.549) 6.439 1.863 ( 1.755 0.317 -3.180) 3.646 2.194 ( -2.327 0.524 1.144) 2.646 2.381 ( 2.780 0.377 -0.218) 2.814 2.538 ( 1.367 -0.876 -8.730) 8.879 3.584 ( 2.930 2.224 -3.569) 5.126 3.973 ( 1.420 3.496 2.387) 4.465 4.352 ( 0.585 0.165 3.705) 3.754 4.358 ( 3.705 3.002 -0.242) 4.775 5.789 ( -7.676 6.070 11.909) 15.414 7.761 ( -0.887 2.685 -0.526) 2.876 8.980 ( -35.421 -16.264 34.785) 52.241 10.252 ( 3.911 5.511 -8.928) 11.198 10.788 ( -7.620 -1.945 7.523) 10.883 11.498 ( -0.000 -5.815 4.464) 7.331 14.142 ( 10.241 -1.078 6.139) 11.989 14.663 ( -1.520 1.115 3.137) 3.659 15.843 ( 0.773 5.747 -1.603) 6.016 17.134 ( -2.601 5.201 -5.591) 8.067 ======================= Grid point 123 (56/230) ======================= q-point: ( 0.44 -0.56 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -2.694 0.000 5.089) 5.758 1.198 ( -4.051 0.000 10.367) 11.131 1.286 ( 8.497 -0.000 2.126) 8.759 1.405 ( -1.568 0.000 1.723) 2.330 1.430 ( -4.853 0.000 -3.964) 6.267 1.639 ( 3.955 -0.000 0.453) 3.981 1.822 ( -8.600 0.000 -0.959) 8.653 2.015 ( 1.271 -0.000 -2.102) 2.457 2.130 ( 0.179 -0.000 4.808) 4.811 2.779 ( 0.895 -0.000 -0.676) 1.121 3.628 ( 4.954 -0.000 -5.588) 7.468 4.279 ( -10.130 0.000 8.361) 13.135 4.380 ( -2.187 0.000 -0.445) 2.231 4.420 ( -1.256 0.000 1.389) 1.872 6.037 ( 0.641 -0.000 5.349) 5.387 7.741 ( -16.416 0.000 38.677) 42.017 8.273 ( 9.542 -0.000 -11.844) 15.210 10.219 ( 3.817 -0.000 5.445) 6.650 11.092 ( -5.139 0.000 -2.397) 5.671 11.644 ( -0.893 0.000 -6.717) 6.776 13.878 ( -5.877 0.000 5.110) 7.788 14.669 ( -1.348 0.000 5.150) 5.324 16.084 ( 2.660 -0.000 -1.462) 3.036 17.374 ( 4.540 -0.000 -2.350) 5.112 ======================= Grid point 125 (57/230) ======================= q-point: (-0.44 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 3.928 1.976 10.731) 11.596 1.213 ( -4.844 2.950 9.537) 11.096 1.280 ( -1.825 4.618 -4.643) 6.798 1.407 ( 2.881 0.077 3.294) 4.377 1.436 ( -0.373 -1.361 3.631) 3.896 1.668 ( -3.392 -1.944 -2.314) 4.543 1.742 ( 0.550 -0.897 -0.421) 1.133 2.052 ( 2.932 -2.544 -0.184) 3.886 2.194 ( 0.788 -0.971 6.779) 6.893 2.741 ( -2.416 0.853 -4.268) 4.978 3.644 ( 5.184 0.788 -5.519) 7.613 4.203 ( -8.932 1.700 6.270) 11.044 4.350 ( -1.437 0.011 -0.321) 1.473 4.422 ( 0.480 1.247 1.677) 2.144 6.043 ( -4.858 2.303 6.492) 8.429 7.913 ( -12.573 2.181 43.033) 44.885 8.295 ( 4.903 -3.583 -6.832) 9.141 10.312 ( 1.971 0.972 7.870) 8.171 10.974 ( -5.462 0.045 -7.436) 9.227 11.547 ( -0.643 0.345 -11.783) 11.806 13.901 ( 0.083 0.442 9.358) 9.369 14.693 ( -1.891 0.788 6.195) 6.525 16.087 ( 1.158 1.856 -1.134) 2.464 17.383 ( 0.712 0.371 -3.496) 3.587 ======================= Grid point 126 (58/230) ======================= q-point: (-0.33 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 5.071 4.802 9.006) 11.397 1.129 ( -2.357 5.579 0.387) 6.069 1.236 ( -3.183 -0.802 4.014) 5.185 1.417 ( -2.591 2.797 1.345) 4.043 1.473 ( -0.635 -0.494 4.369) 4.442 1.644 ( -0.960 -2.279 1.903) 3.121 1.797 ( 4.613 -2.023 -2.561) 5.651 2.136 ( 3.282 -2.283 1.940) 4.444 2.285 ( 1.750 -1.628 5.948) 6.410 2.630 ( -4.208 0.767 -7.536) 8.665 3.648 ( 4.261 1.458 -4.957) 6.697 4.118 ( -5.654 3.106 4.117) 7.653 4.337 ( 0.140 -0.091 -0.743) 0.762 4.431 ( 1.245 2.663 3.206) 4.350 5.983 ( -8.807 3.409 9.734) 13.562 7.984 ( -5.726 7.931 14.210) 17.251 8.445 ( -8.545 -11.266 24.274) 28.092 10.378 ( 1.543 2.456 5.991) 6.656 10.831 ( -6.071 -0.630 -7.034) 9.313 11.436 ( 1.013 -0.243 -12.042) 12.086 14.018 ( 5.108 1.741 11.331) 12.550 14.705 ( -2.473 1.316 5.892) 6.525 16.051 ( -0.127 3.913 -0.628) 3.965 17.323 ( -2.880 1.002 -4.752) 5.646 ======================= Grid point 127 (59/230) ======================= q-point: (-0.22 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.161 7.776 2.691) 8.230 1.073 ( -1.524 4.291 4.850) 6.653 1.247 ( -3.355 -3.153 -0.252) 4.611 1.358 ( -0.806 1.755 2.429) 3.103 1.504 ( -0.939 -0.684 2.821) 3.051 1.716 ( 2.396 -1.312 6.261) 6.830 1.855 ( 5.069 -1.236 -3.769) 6.436 2.199 ( -0.314 0.146 2.543) 2.566 2.371 ( 2.363 -1.157 2.839) 3.871 2.509 ( -2.141 -1.319 -8.605) 8.965 3.635 ( 2.433 1.839 -3.792) 4.866 4.060 ( -0.917 3.364 2.158) 4.101 4.342 ( 1.088 -0.355 -0.630) 1.306 4.447 ( 1.545 3.500 4.554) 5.947 5.909 ( -10.466 3.520 12.876) 16.962 7.882 ( -3.844 7.186 1.377) 8.265 8.648 ( -20.088 -11.606 29.503) 37.532 10.375 ( 3.124 4.361 -6.028) 8.069 10.739 ( -7.044 -1.879 4.857) 8.759 11.401 ( 3.016 -2.661 -5.323) 6.672 14.177 ( 7.799 2.933 10.613) 13.493 14.695 ( -3.157 1.434 4.235) 5.473 15.983 ( -0.752 5.412 -0.215) 5.468 17.210 ( -4.357 1.565 -5.323) 7.054 ======================= Grid point 128 (60/230) ======================= q-point: (-0.11 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -2.591 4.861 0.270) 5.515 1.047 ( -1.735 3.418 5.113) 6.390 1.204 ( -3.862 0.086 0.627) 3.914 1.401 ( 2.141 -2.076 -0.033) 2.983 1.509 ( -1.843 -0.294 1.531) 2.414 1.829 ( 2.195 -1.608 4.431) 5.200 1.894 ( 4.460 0.560 -1.052) 4.616 2.152 ( -4.707 -0.147 -2.373) 5.273 2.417 ( 2.151 0.608 -0.459) 2.282 2.481 ( 2.468 -1.416 -3.616) 4.601 3.607 ( 0.886 1.677 -2.435) 3.086 4.060 ( 3.727 2.013 1.210) 4.406 4.362 ( 1.356 -0.560 -0.159) 1.476 4.466 ( 0.592 3.077 5.442) 6.280 5.843 ( -10.295 3.782 13.929) 17.729 7.776 ( -2.171 3.342 0.157) 3.989 8.660 ( -26.553 -7.732 18.281) 33.151 10.264 ( 4.353 4.795 -15.705) 16.988 10.776 ( -5.682 -2.324 15.798) 16.949 11.477 ( 1.303 -4.961 3.627) 6.282 14.323 ( 6.647 2.927 7.541) 10.469 14.660 ( -3.667 1.036 1.819) 4.222 15.909 ( 0.004 5.094 -0.080) 5.095 17.098 ( -2.320 1.510 -4.282) 5.099 ======================= Grid point 134 (61/230) ======================= q-point: (-0.44 0.56 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 6.808 -0.000 10.054) 12.142 1.181 ( -7.580 0.000 -4.564) 8.848 1.233 ( -7.185 0.000 9.333) 11.778 1.460 ( 2.252 -0.000 2.627) 3.460 1.474 ( -2.118 0.000 -0.918) 2.309 1.617 ( 1.808 -0.000 2.556) 3.131 1.767 ( 4.905 -0.000 -2.965) 5.731 2.105 ( 4.537 -0.000 3.689) 5.847 2.261 ( 0.568 -0.000 7.468) 7.490 2.640 ( -5.230 0.000 -7.786) 9.379 3.667 ( 4.071 -0.000 -4.798) 6.292 4.158 ( -5.912 0.000 4.170) 7.234 4.335 ( 0.485 -0.000 -1.582) 1.654 4.465 ( 0.991 -0.000 3.941) 4.064 6.024 ( -9.712 0.000 9.202) 13.379 8.171 ( -14.383 0.000 48.105) 50.209 8.225 ( 2.556 -0.000 -11.942) 12.213 10.408 ( 0.856 -0.000 7.948) 7.994 10.824 ( -5.347 0.000 -9.132) 10.582 11.434 ( 0.757 -0.000 -13.401) 13.423 14.041 ( 5.704 -0.000 11.929) 13.222 14.721 ( -2.695 0.000 6.053) 6.626 16.101 ( 0.079 -0.000 -0.323) 0.332 17.334 ( -3.080 0.000 -4.456) 5.417 ======================= Grid point 136 (62/230) ======================= q-point: (-0.33 -0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -4.840 3.940 -0.988) 6.319 1.096 ( -0.085 -1.869 4.366) 4.749 1.207 ( -5.802 -0.322 6.904) 9.024 1.400 ( -3.190 1.315 -1.229) 3.663 1.510 ( 2.725 0.802 1.247) 3.102 1.704 ( 3.712 -0.076 5.486) 6.624 1.815 ( 5.847 -1.365 -4.463) 7.481 2.207 ( 3.218 0.474 5.025) 5.986 2.336 ( 0.753 -1.267 5.799) 5.983 2.484 ( -5.282 -0.568 -9.780) 11.130 3.666 ( 2.002 0.690 -3.633) 4.205 4.122 ( -2.111 1.471 2.128) 3.339 4.335 ( 1.444 -0.195 -1.622) 2.180 4.511 ( 0.671 1.500 5.612) 5.848 5.960 ( -12.952 0.901 12.982) 18.360 8.078 ( -3.012 7.682 -3.550) 8.982 8.404 ( -16.124 -8.188 32.118) 36.859 10.449 ( 2.291 1.633 -3.720) 4.664 10.706 ( -6.586 -0.727 2.555) 7.101 11.359 ( 3.168 -0.870 -9.631) 10.176 14.241 ( 8.768 1.703 12.650) 15.486 14.723 ( -3.509 0.706 4.714) 5.918 16.083 ( -1.103 2.371 1.033) 2.812 17.228 ( -5.693 0.206 -5.375) 7.832 ======================= Grid point 137 (63/230) ======================= q-point: (-0.22 -0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -8.952 1.205 -4.207) 9.964 1.087 ( -7.867 -0.112 4.774) 9.203 1.238 ( 1.307 2.265 4.292) 5.026 1.372 ( 0.970 -0.257 0.548) 1.143 1.532 ( 2.066 1.985 0.348) 2.886 1.800 ( 2.764 -0.716 4.913) 5.682 1.876 ( 5.431 -1.879 -3.759) 6.867 2.168 ( -7.016 1.376 -5.182) 8.830 2.405 ( 0.560 -1.524 2.499) 2.980 2.442 ( 4.702 -1.382 -0.424) 4.919 3.642 ( 0.075 1.097 -2.397) 2.638 4.109 ( 1.454 1.828 0.934) 2.515 4.349 ( 1.566 -0.447 -0.810) 1.819 4.538 ( -1.064 2.519 6.375) 6.937 5.894 ( -14.168 0.699 16.282) 21.595 7.907 ( -4.224 6.685 -3.102) 8.494 8.477 ( -20.469 -7.190 18.998) 28.838 10.357 ( 3.366 2.735 -16.940) 17.486 10.729 ( -6.334 -1.436 17.067) 18.261 11.381 ( 3.984 -2.890 -2.025) 5.323 14.432 ( 8.620 4.747 11.729) 15.310 14.691 ( -4.208 1.308 2.720) 5.178 16.032 ( -2.281 4.577 2.170) 5.555 17.103 ( -5.415 -0.775 -5.373) 7.667 ======================= Grid point 138 (64/230) ======================= q-point: (-0.11 -0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -8.266 -1.463 -4.958) 9.749 1.023 ( -8.183 -2.005 3.511) 9.128 1.244 ( 0.521 3.768 4.439) 5.845 1.395 ( 0.846 -0.505 -2.820) 2.987 1.526 ( 0.765 2.712 0.399) 2.846 1.841 ( -0.573 1.146 -3.475) 3.704 1.937 ( 1.080 -2.247 3.464) 4.268 2.037 ( -1.868 -2.602 -6.048) 6.844 2.429 ( 0.203 -0.029 -0.674) 0.704 2.538 ( 6.180 0.468 2.081) 6.538 3.605 ( -0.788 0.985 -1.667) 2.090 4.137 ( 3.659 0.772 1.302) 3.959 4.372 ( 1.168 -0.649 0.156) 1.345 4.531 ( -3.975 2.343 6.425) 7.910 5.844 ( -13.782 0.980 16.843) 21.785 7.785 ( -2.946 2.701 1.359) 4.222 8.372 ( -21.075 -5.024 5.502) 22.354 10.220 ( 4.023 2.863 -16.811) 17.521 10.835 ( -5.067 -2.080 18.944) 19.720 11.477 ( 1.808 -4.016 3.913) 5.892 14.526 ( 1.657 8.200 8.680) 12.055 14.641 ( -1.912 1.759 1.509) 3.004 15.958 ( -2.763 4.415 2.078) 5.608 17.034 ( -1.218 -2.509 -3.556) 4.519 ======================= Grid point 145 (65/230) ======================= q-point: (-0.33 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -11.238 0.000 -4.436) 12.082 1.077 ( -10.458 0.000 5.504) 11.818 1.273 ( 4.824 -0.000 5.710) 7.475 1.371 ( -1.095 0.000 0.382) 1.160 1.570 ( 4.680 -0.000 -1.496) 4.913 1.789 ( 1.898 -0.000 5.380) 5.705 1.844 ( 5.935 -0.000 -5.125) 7.841 2.193 ( -8.068 0.000 -7.465) 10.992 2.377 ( -0.107 0.000 4.587) 4.588 2.424 ( 5.711 -0.000 1.352) 5.869 3.656 ( -0.213 0.000 -2.307) 2.317 4.134 ( 0.632 -0.000 0.982) 1.168 4.343 ( 1.716 -0.000 -1.288) 2.146 4.571 ( -1.593 0.000 6.804) 6.988 5.898 ( -15.922 0.000 17.063) 23.338 8.018 ( -2.729 0.000 -9.931) 10.299 8.364 ( -20.961 0.000 24.775) 32.453 10.391 ( 3.221 -0.000 -17.967) 18.254 10.711 ( -6.790 0.000 18.048) 19.283 11.345 ( 4.557 -0.000 -4.010) 6.071 14.498 ( 10.353 -0.000 13.097) 16.694 14.709 ( -4.261 0.000 3.024) 5.225 16.095 ( -2.384 0.000 3.708) 4.408 17.087 ( -7.343 0.000 -6.214) 9.619 ======================= Grid point 146 (66/230) ======================= q-point: (-0.22 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -11.557 -0.288 -4.309) 12.338 0.969 ( -12.784 -1.624 4.797) 13.750 1.328 ( 0.453 2.567 1.653) 3.086 1.386 ( 0.652 -0.563 0.243) 0.895 1.599 ( 4.681 2.511 -2.713) 5.965 1.851 ( 1.665 -0.222 1.888) 2.528 1.885 ( 2.881 -1.775 -1.992) 3.926 1.999 ( -6.492 -0.381 -8.201) 10.467 2.412 ( -0.161 -0.848 2.225) 2.387 2.542 ( 7.126 -0.017 2.718) 7.627 3.624 ( -1.515 0.449 -1.446) 2.142 4.158 ( 2.328 0.664 1.187) 2.696 4.358 ( 1.358 -0.398 -0.559) 1.521 4.578 ( -5.449 1.215 6.916) 8.888 5.844 ( -17.126 -0.424 20.855) 26.989 7.875 ( -3.239 3.443 -6.453) 7.999 8.251 ( -21.645 -3.925 9.537) 23.976 10.266 ( 3.553 0.949 -18.225) 18.593 10.800 ( -6.105 -0.754 19.965) 20.891 11.405 ( 3.869 -1.667 1.575) 4.497 14.660 ( -4.567 1.484 2.067) 5.228 14.725 ( 9.359 4.357 12.228) 16.003 16.074 ( -4.297 3.967 6.087) 8.441 16.951 ( -6.091 -3.145 -5.928) 9.062 ======================= Grid point 147 (67/230) ======================= q-point: (-0.11 -0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -10.100 -2.134 -4.353) 11.203 0.877 ( -12.759 -4.503 5.907) 14.763 1.244 ( -8.363 -1.230 -9.101) 12.421 1.375 ( 0.776 3.022 1.395) 3.417 1.590 ( 3.472 4.153 -2.458) 5.945 1.826 ( -0.222 3.130 -0.622) 3.199 1.935 ( -0.994 -3.222 2.751) 4.352 1.976 ( 4.306 -3.527 -3.064) 6.354 2.420 ( -0.657 0.184 -0.666) 0.953 2.643 ( 6.195 0.367 -0.096) 6.207 3.584 ( -1.672 0.498 -1.214) 2.125 4.202 ( 2.729 0.513 2.147) 3.510 4.378 ( 0.781 -0.777 0.133) 1.110 4.520 ( -9.176 1.160 6.332) 11.209 5.805 ( -16.805 0.116 20.970) 26.873 7.786 ( -3.453 0.386 4.842) 5.959 8.065 ( -18.066 -4.809 -1.117) 18.728 10.157 ( 4.006 1.082 -14.997) 15.561 10.905 ( -5.457 -1.763 18.104) 18.991 11.497 ( 1.702 -2.511 4.096) 5.097 14.583 ( -5.281 2.832 1.894) 6.285 14.822 ( 3.694 12.799 10.496) 16.959 15.982 ( -6.726 5.795 4.848) 10.116 16.941 ( 0.510 -8.076 -2.306) 8.414 ======================= Grid point 155 (68/230) ======================= q-point: (-0.22 -0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -11.677 0.000 -2.407) 11.922 0.815 ( -15.202 0.000 6.373) 16.484 1.226 ( -10.700 0.000 -11.235) 15.515 1.416 ( 0.688 -0.000 3.349) 3.419 1.656 ( 6.124 -0.000 -5.062) 7.945 1.881 ( 1.794 -0.000 -3.480) 3.915 1.890 ( 0.695 -0.000 3.409) 3.479 1.909 ( 0.330 -0.000 -0.818) 0.882 2.418 ( -0.440 0.000 1.160) 1.241 2.645 ( 6.550 -0.000 -1.034) 6.631 3.591 ( -2.055 0.000 -0.913) 2.249 4.212 ( 3.036 -0.000 2.184) 3.740 4.366 ( 0.872 -0.000 -0.498) 1.004 4.536 ( -10.297 0.000 6.333) 12.088 5.805 ( -18.343 0.000 25.718) 31.589 7.801 ( -0.354 0.000 -8.428) 8.435 7.990 ( -24.065 0.000 9.060) 25.714 10.170 ( 3.776 -0.000 -16.065) 16.503 10.883 ( -6.111 0.000 18.621) 19.598 11.464 ( 2.735 -0.000 3.587) 4.510 14.615 ( -4.693 0.000 0.906) 4.780 15.010 ( 10.412 -0.000 13.592) 17.122 16.117 ( -5.870 0.000 12.109) 13.457 16.781 ( -6.156 0.000 -6.455) 8.920 ======================= Grid point 156 (69/230) ======================= q-point: (-0.11 -0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -10.468 -0.165 -0.519) 10.482 0.699 ( -16.127 -4.144 10.925) 19.916 0.922 ( -16.506 -2.436 -15.929) 23.068 1.440 ( -0.236 1.555 3.608) 3.936 1.666 ( 5.576 3.811 -5.325) 8.601 1.878 ( 1.211 -1.240 -3.279) 3.709 1.899 ( -0.757 1.779 4.281) 4.698 1.989 ( 4.593 -4.086 0.923) 6.216 2.409 ( -1.224 0.960 -0.462) 1.623 2.688 ( 4.432 -0.416 -7.188) 8.455 3.557 ( -1.526 0.298 -0.798) 1.747 4.267 ( 3.617 1.536 0.060) 3.930 4.375 ( 0.591 -0.872 -0.821) 1.335 4.427 ( -12.867 -0.033 5.581) 14.025 5.780 ( -17.762 1.737 23.896) 29.825 7.781 ( 3.775 -5.775 -10.049) 12.190 7.828 ( -24.810 -0.084 39.945) 47.023 10.094 ( 4.047 -0.181 -12.827) 13.451 10.957 ( -5.993 -1.147 15.167) 16.349 11.529 ( 1.230 -0.956 3.091) 3.461 14.557 ( -4.247 1.091 1.532) 4.645 15.170 ( 5.691 16.528 13.487) 22.079 16.033 ( -11.042 13.865 10.735) 20.722 16.802 ( 2.100 -16.862 -0.210) 16.994 ======================= Grid point 165 (70/230) ======================= q-point: (-0.11 -0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( -8.850 0.000 4.392) 9.880 0.517 ( -19.767 0.000 -13.722) 24.063 0.569 ( -18.224 0.000 19.552) 26.728 1.461 ( -2.540 0.000 3.883) 4.640 1.727 ( 6.965 -0.000 -7.025) 9.892 1.820 ( -1.593 0.000 -2.927) 3.332 1.974 ( 2.254 -0.000 1.428) 2.668 2.008 ( 1.927 -0.000 2.915) 3.494 2.399 ( -1.447 0.000 0.133) 1.453 2.611 ( -0.743 0.000 -15.191) 15.209 3.538 ( -0.595 0.000 -1.019) 1.180 4.288 ( -11.641 0.000 3.044) 12.033 4.293 ( 4.303 -0.000 -14.534) 15.157 4.368 ( -0.399 0.000 -0.235) 0.463 5.741 ( -16.295 0.000 13.554) 21.195 7.719 ( 4.324 -0.000 -7.974) 9.071 8.323 ( 1.303 -0.000 138.766) 138.773 10.042 ( 4.410 -0.000 -11.153) 11.994 10.980 ( -6.691 0.000 11.243) 13.083 11.552 ( 0.543 -0.000 0.443) 0.701 14.527 ( -3.400 0.000 2.236) 4.069 15.519 ( 11.663 -0.000 6.085) 13.155 16.298 ( -2.612 0.000 25.913) 26.045 16.581 ( -1.793 0.000 -3.195) 3.664 ======================= Grid point 166 (71/230) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -1.991 0.000 13.516) 13.662 0.762 ( 6.394 -0.000 15.512) 16.779 1.213 ( -7.577 0.000 22.537) 23.776 1.463 ( -5.543 0.000 0.020) 5.543 1.602 ( 2.105 -0.000 -6.236) 6.582 1.620 ( 6.938 -0.000 -7.036) 9.881 2.051 ( -2.149 0.000 -0.985) 2.364 2.097 ( 3.036 -0.000 3.073) 4.319 2.365 ( -2.970 0.000 -0.618) 3.034 2.386 ( 3.848 -0.000 -2.368) 4.518 3.412 ( 2.619 -0.000 -4.989) 5.634 3.924 ( -6.209 0.000 4.383) 7.600 4.158 ( 0.548 -0.000 -1.689) 1.776 4.370 ( -1.292 0.000 3.811) 4.024 5.854 ( -11.357 0.000 15.404) 19.138 7.503 ( 9.407 -0.000 -12.806) 15.890 9.797 ( 5.563 -0.000 -10.326) 11.729 10.838 ( -10.861 0.000 -25.385) 27.611 11.067 ( -7.454 0.000 8.984) 11.673 12.979 ( 38.484 -0.000 -2.032) 38.537 14.422 ( -75.944 0.000 11.960) 76.880 14.617 ( -3.254 0.000 5.513) 6.402 15.670 ( -3.207 0.000 -1.615) 3.591 16.604 ( 5.899 -0.000 -0.414) 5.913 ======================= Grid point 167 (72/230) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 0.070 -1.034 12.977) 13.018 0.966 ( 3.545 -1.144 12.856) 13.385 1.291 ( -4.464 -0.811 10.382) 11.330 1.394 ( -3.311 -0.550 -1.608) 3.722 1.572 ( 3.682 2.755 -3.362) 5.696 1.675 ( 4.852 -2.617 -4.975) 7.426 2.020 ( -0.075 3.121 3.210) 4.478 2.183 ( 1.731 -2.279 4.113) 5.010 2.310 ( -2.611 -0.348 -2.941) 3.948 2.403 ( 2.477 -0.556 -5.310) 5.886 3.426 ( 4.454 -0.677 -3.745) 5.859 3.920 ( -2.632 -1.654 5.571) 6.380 4.184 ( 4.232 -1.517 -2.523) 5.156 4.407 ( 0.261 -0.103 6.155) 6.161 5.865 ( -10.279 -3.140 15.985) 19.262 7.532 ( 9.756 -1.213 -12.045) 15.548 9.788 ( 5.987 -0.535 -10.730) 12.298 10.348 ( -28.832 3.832 -17.288) 33.835 11.064 ( -6.478 0.700 12.788) 14.353 12.715 ( -39.644 24.797 15.722) 49.333 14.121 ( 5.056 -0.391 11.159) 12.257 14.636 ( -2.380 -2.345 3.782) 5.047 15.643 ( -0.456 -2.343 -2.264) 3.290 16.740 ( 5.709 -8.004 -2.453) 10.133 ======================= Grid point 168 (73/230) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.734 -1.833 9.665) 9.865 1.094 ( -1.177 0.134 11.481) 11.542 1.275 ( -3.652 0.006 -0.294) 3.663 1.369 ( -0.859 -1.177 -1.886) 2.383 1.572 ( 2.891 1.832 -0.800) 3.515 1.717 ( 3.644 -2.277 -5.808) 7.225 2.039 ( 1.808 4.180 8.419) 9.572 2.214 ( -4.386 0.545 -0.268) 4.428 2.286 ( 1.945 -2.652 -2.391) 4.066 2.388 ( 1.618 -1.547 -5.124) 5.591 3.475 ( 4.794 -1.102 -2.379) 5.464 3.982 ( 1.461 -1.693 5.255) 5.711 4.249 ( 5.560 -2.278 -3.810) 7.114 4.485 ( 0.910 -0.404 8.679) 8.736 5.929 ( -10.171 -6.159 16.744) 20.536 7.578 ( 9.775 -1.393 -11.031) 14.805 9.650 ( -27.399 8.001 -0.302) 28.545 9.877 ( -5.177 -4.042 -11.202) 12.985 11.101 ( -5.174 1.312 16.083) 16.946 12.157 ( -26.393 16.817 18.809) 36.512 14.299 ( 7.780 1.339 5.925) 9.871 14.663 ( -2.110 -2.390 1.706) 3.616 15.680 ( 2.473 -4.353 -1.612) 5.259 16.871 ( 4.917 -6.169 -4.120) 8.899 ======================= Grid point 169 (74/230) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -1.042 0.422 3.200) 3.392 1.146 ( -2.907 0.928 8.269) 8.815 1.230 ( -2.820 -0.471 1.934) 3.452 1.349 ( -0.451 -1.150 -4.118) 4.299 1.575 ( -0.108 1.614 0.705) 1.764 1.725 ( 1.530 -1.924 -5.321) 5.862 2.092 ( 0.925 3.524 5.987) 7.008 2.110 ( -2.475 2.765 -3.531) 5.123 2.308 ( 0.273 -3.002 -4.261) 5.220 2.432 ( 3.762 -2.749 0.536) 4.690 3.526 ( 3.019 -0.956 -1.454) 3.485 4.078 ( 4.528 -0.283 3.727) 5.871 4.312 ( 4.987 -1.705 -3.696) 6.437 4.579 ( -0.555 -1.084 9.474) 9.552 6.022 ( -11.193 -7.571 17.374) 22.010 7.634 ( 10.127 -0.960 -10.056) 14.304 9.141 ( -36.830 5.674 11.349) 38.955 9.870 ( 5.477 -3.299 -9.898) 11.783 11.166 ( -4.398 1.570 16.625) 17.268 11.882 ( -12.778 9.870 11.956) 20.090 14.406 ( 0.859 -1.636 6.301) 6.566 14.657 ( -3.515 -1.147 1.230) 3.897 15.776 ( 4.119 -4.866 -0.526) 6.397 16.949 ( 4.566 -2.788 -4.627) 7.074 ======================= Grid point 170 (75/230) ======================= q-point: (-0.56 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -3.858 4.597 -1.166) 6.114 1.128 ( -4.141 1.113 3.275) 5.396 1.276 ( -0.871 -3.276 4.759) 5.843 1.290 ( -3.161 1.258 -4.759) 5.850 1.545 ( -2.542 0.762 1.620) 3.109 1.724 ( -0.057 -1.758 -1.631) 2.399 2.008 ( 1.499 3.192 -4.761) 5.924 2.115 ( -1.140 3.221 5.129) 6.163 2.307 ( -0.211 -3.791 -5.196) 6.436 2.535 ( 5.490 -1.821 0.948) 5.861 3.548 ( 0.737 -0.539 -1.297) 1.586 4.161 ( 5.094 1.261 1.324) 5.413 4.356 ( 3.990 -0.358 -2.974) 4.989 4.647 ( -4.282 -1.506 9.163) 10.226 6.099 ( -13.507 -6.809 17.491) 23.125 7.696 ( 11.380 0.093 -10.667) 15.598 8.759 ( -33.229 2.788 22.189) 40.054 9.904 ( 6.024 -1.452 -6.848) 9.236 11.222 ( -4.682 1.679 14.165) 15.013 11.744 ( -6.345 6.017 6.249) 10.747 14.490 ( -5.346 -7.470 7.902) 12.117 14.635 ( -2.738 -0.614 2.081) 3.494 15.876 ( 2.469 -3.809 0.298) 4.549 16.990 ( 5.496 0.265 -4.249) 6.952 ======================= Grid point 171 (76/230) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( -5.504 6.218 0.665) 8.331 1.047 ( -8.141 1.534 -9.067) 12.282 1.133 ( -7.520 3.209 5.295) 9.740 1.369 ( 1.215 -2.181 5.336) 5.891 1.529 ( -2.311 -0.572 1.944) 3.073 1.760 ( 1.861 -2.759 1.318) 3.580 1.980 ( 4.314 3.480 -3.202) 6.401 2.086 ( -2.490 2.214 2.772) 4.334 2.303 ( -0.712 -3.781 -4.881) 6.215 2.617 ( 4.583 0.121 -1.231) 4.747 3.538 ( -0.749 -0.171 -1.869) 2.021 4.201 ( 3.527 1.838 -1.169) 4.146 4.372 ( 2.671 0.919 -3.070) 4.171 4.651 ( -8.840 -0.819 8.294) 12.149 6.120 ( -16.057 -4.672 16.871) 23.754 7.721 ( 10.687 2.984 -15.320) 18.915 8.631 ( -24.234 -2.679 42.152) 48.695 9.942 ( 6.013 0.926 -3.952) 7.255 11.241 ( -5.628 1.582 10.260) 11.808 11.657 ( -3.496 3.593 1.552) 5.247 14.573 ( -9.010 -8.286 9.466) 15.474 14.662 ( -2.757 -7.276 4.031) 8.763 15.928 ( -1.056 -2.353 0.621) 2.653 17.024 ( 7.519 2.868 -3.560) 8.799 ======================= Grid point 172 (77/230) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -4.946 5.198 6.669) 9.795 0.758 ( -13.956 4.547 -7.867) 16.654 1.099 ( -6.957 2.874 13.348) 15.324 1.442 ( 1.012 -1.032 3.106) 3.426 1.535 ( -0.354 -1.910 0.227) 1.955 1.827 ( 2.660 -0.471 -1.678) 3.180 1.965 ( 0.223 1.431 1.611) 2.166 2.069 ( 2.224 1.496 -0.552) 2.736 2.295 ( -1.509 -3.688 -3.664) 5.413 2.621 ( 1.446 2.771 -3.429) 4.640 3.506 ( -0.785 -0.075 -2.956) 3.059 4.190 ( 0.539 1.902 -2.675) 3.326 4.349 ( 0.886 1.552 -4.337) 4.691 4.574 ( -12.361 0.794 7.112) 14.284 6.077 ( -17.104 -1.934 15.404) 23.100 7.644 ( 7.193 5.191 -15.883) 18.193 8.986 ( -4.038 -14.027 61.066) 62.786 9.977 ( 6.433 3.277 0.114) 7.221 11.216 ( -6.399 1.137 6.892) 9.473 11.583 ( -2.261 1.693 -2.571) 3.819 14.609 ( -4.334 -1.189 7.344) 8.610 14.811 ( -12.180 -23.272 9.069) 27.788 15.919 ( -4.800 -2.016 0.878) 5.280 17.053 ( 9.108 5.756 -4.501) 11.677 ======================= Grid point 173 (78/230) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -2.375 5.058 9.556) 11.069 0.502 ( -11.311 3.467 6.190) 13.352 1.098 ( -10.222 3.057 21.261) 23.788 1.487 ( 2.843 -1.961 -1.919) 3.952 1.553 ( -0.410 -1.028 -0.325) 1.154 1.786 ( 0.680 3.246 -6.088) 6.933 1.992 ( -0.320 -1.113 2.385) 2.652 2.095 ( 4.032 1.379 -0.077) 4.262 2.294 ( -1.646 -4.085 -1.900) 4.796 2.539 ( -1.399 4.837 -3.349) 6.048 3.470 ( 0.171 -0.011 -4.350) 4.353 4.120 ( -4.166 2.262 -1.916) 5.113 4.285 ( -1.138 1.705 -5.053) 5.453 4.451 ( -11.027 1.369 5.988) 12.623 5.988 ( -15.949 0.844 14.469) 21.551 7.552 ( 7.525 4.096 -13.849) 16.284 9.719 ( 8.596 -13.035 14.371) 21.221 10.256 ( 24.678 -12.167 43.512) 51.482 11.172 ( -5.968 0.785 5.212) 7.962 11.527 ( -0.011 -1.031 -1.263) 1.630 14.620 ( -3.413 0.801 6.543) 7.423 15.030 ( -21.216 -35.655 8.426) 42.337 15.871 ( -9.251 -4.087 1.338) 10.202 17.008 ( 7.080 11.786 -10.459) 17.275 ======================= Grid point 174 (79/230) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -5.044 1.745 11.745) 12.901 0.556 ( 3.266 2.434 17.626) 18.091 1.131 ( -10.829 1.756 25.753) 27.993 1.520 ( -2.967 0.161 2.191) 3.691 1.553 ( 4.680 -3.844 -7.738) 9.827 1.690 ( 1.266 4.220 -7.524) 8.719 2.024 ( 0.830 -1.860 1.057) 2.294 2.107 ( 0.238 2.144 -0.172) 2.163 2.327 ( 0.942 -3.654 -0.220) 3.780 2.438 ( -1.509 4.342 -1.400) 4.805 3.435 ( 1.194 0.190 -5.307) 5.443 4.007 ( -7.493 1.934 1.406) 7.866 4.201 ( -2.509 1.291 -2.891) 4.039 4.377 ( -4.676 0.455 3.790) 6.037 5.900 ( -13.475 1.712 14.842) 20.120 7.507 ( 8.668 1.982 -13.230) 15.940 9.814 ( 4.704 -0.155 -8.518) 9.732 11.005 ( 6.076 -9.384 -7.307) 13.356 11.126 ( -4.108 1.574 -0.648) 4.447 12.020 ( 47.618 -19.475 29.923) 59.515 14.616 ( -3.811 0.719 6.202) 7.315 15.118 ( -46.219 -37.301 -2.772) 59.458 15.778 ( -13.355 -3.496 0.246) 13.807 16.735 ( 1.658 21.993 -10.887) 24.596 ======================= Grid point 176 (80/230) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 1.536 -0.000 11.100) 11.206 1.097 ( 0.303 -0.000 12.084) 12.088 1.281 ( -3.939 0.000 0.783) 4.016 1.340 ( -1.080 0.000 -1.773) 2.076 1.618 ( 3.757 -0.000 -2.208) 4.358 1.672 ( 3.781 -0.000 -5.668) 6.813 2.111 ( 2.405 -0.000 8.478) 8.813 2.215 ( -3.042 0.000 5.233) 6.053 2.238 ( 0.173 -0.000 -5.389) 5.391 2.367 ( 0.760 -0.000 -7.370) 7.409 3.462 ( 5.068 -0.000 -2.206) 5.527 3.962 ( 2.912 -0.000 5.624) 6.333 4.216 ( 5.743 -0.000 -3.784) 6.878 4.482 ( 1.478 -0.000 7.984) 8.119 5.850 ( -9.899 0.000 16.031) 18.841 7.563 ( 11.400 -0.000 -11.824) 16.424 9.781 ( 6.941 -0.000 -10.108) 12.262 9.794 ( -40.052 0.000 -4.654) 40.322 11.118 ( -5.138 0.000 15.927) 16.735 12.394 ( -40.049 0.000 17.539) 43.721 14.340 ( 13.313 -0.000 -0.515) 13.323 14.620 ( -1.700 0.000 2.780) 3.258 15.625 ( 3.051 -0.000 -1.991) 3.643 16.778 ( 7.240 -0.000 -0.682) 7.272 ======================= Grid point 177 (81/230) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 2.287 0.870 7.338) 7.735 1.175 ( -2.385 0.815 9.578) 9.904 1.213 ( -4.665 -0.658 -1.593) 4.974 1.332 ( 0.575 -0.210 -0.946) 1.127 1.625 ( 2.004 2.277 -2.660) 4.034 1.677 ( 1.827 -2.031 -4.377) 5.160 2.144 ( -2.626 0.844 -4.450) 5.235 2.190 ( 0.219 3.155 7.579) 8.213 2.251 ( -1.439 -1.176 -2.355) 3.000 2.351 ( 3.594 -3.364 -1.124) 5.049 3.511 ( 3.527 -0.304 -0.884) 3.649 4.082 ( 7.457 0.344 4.831) 8.892 4.266 ( 5.712 -1.439 -4.462) 7.390 4.572 ( 0.525 0.073 8.484) 8.500 5.882 ( -9.422 -3.309 16.210) 19.039 7.625 ( 12.892 -0.040 -11.814) 17.487 9.241 ( -40.786 2.225 8.130) 41.648 9.808 ( 6.747 -1.486 -7.322) 10.067 11.194 ( -4.339 0.674 16.311) 16.891 12.071 ( -22.664 4.619 12.088) 26.098 14.420 ( 2.271 1.608 -0.709) 2.872 14.632 ( -1.263 -0.915 1.883) 2.444 15.691 ( 6.740 -1.908 -1.401) 7.143 16.882 ( 7.352 -1.965 -1.969) 7.860 ======================= Grid point 178 (82/230) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 1.494 4.569 1.794) 5.131 1.137 ( -4.526 -1.848 -2.677) 5.574 1.218 ( -3.559 -0.018 9.333) 9.988 1.332 ( 1.204 1.954 -0.233) 2.307 1.574 ( -1.737 1.365 -2.679) 3.472 1.687 ( -0.132 -1.100 -0.836) 1.388 2.066 ( -0.258 1.620 -4.069) 4.387 2.187 ( -3.037 2.354 4.460) 5.887 2.212 ( -1.421 -3.397 -5.839) 6.903 2.478 ( 6.233 -2.527 3.120) 7.415 3.541 ( 1.383 -0.130 -0.583) 1.507 4.206 ( 7.724 2.211 1.864) 8.248 4.328 ( 5.288 -1.865 -2.814) 6.273 4.630 ( -2.782 -0.009 8.109) 8.573 5.951 ( -9.221 -4.855 16.165) 19.233 7.701 ( 14.234 0.299 -12.285) 18.805 8.812 ( -36.659 1.460 18.887) 41.264 9.869 ( 6.727 -1.241 -3.413) 7.644 11.258 ( -4.489 1.101 13.508) 14.277 11.872 ( -11.673 4.087 5.891) 13.699 14.392 ( -5.927 -1.237 2.083) 6.403 14.636 ( -1.278 0.393 2.712) 3.023 15.804 ( 6.918 -2.186 -0.881) 7.309 16.978 ( 7.630 -0.864 -2.946) 8.224 ======================= Grid point 179 (83/230) ======================= q-point: (-0.56 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -1.176 7.860 -0.453) 7.961 1.069 ( -4.450 -0.189 -4.665) 6.450 1.217 ( -4.902 3.173 4.331) 7.270 1.329 ( 1.222 0.164 3.840) 4.033 1.532 ( -2.233 0.386 1.576) 2.760 1.696 ( -0.752 -2.225 1.698) 2.898 2.042 ( 3.259 1.366 -2.357) 4.248 2.133 ( -5.229 1.727 1.947) 5.841 2.199 ( -0.869 -4.607 -5.185) 6.990 2.604 ( 5.800 -0.894 1.514) 6.060 3.540 ( -0.148 0.308 -1.172) 1.221 4.258 ( 5.026 2.460 -2.231) 6.024 4.388 ( 3.624 0.424 -0.848) 3.746 4.638 ( -6.678 -0.224 7.847) 10.306 6.018 ( -9.726 -3.598 15.977) 19.048 7.772 ( 14.615 1.310 -15.093) 21.050 8.580 ( -30.126 -1.530 33.393) 45.000 9.953 ( 6.519 0.064 0.143) 6.521 11.276 ( -5.388 1.211 8.881) 10.458 11.741 ( -6.070 3.080 0.423) 6.820 14.352 ( -11.142 -5.916 6.156) 14.037 14.641 ( -1.042 1.045 4.041) 4.302 15.895 ( 4.321 -0.893 -0.577) 4.450 17.060 ( 8.495 0.607 -3.224) 9.106 ======================= Grid point 180 (84/230) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -2.373 8.149 3.638) 9.235 0.891 ( -6.859 6.421 -8.160) 12.445 1.168 ( -3.852 3.210 8.566) 9.925 1.413 ( 2.145 -2.272 4.634) 5.589 1.508 ( -3.100 0.467 2.292) 3.884 1.764 ( 1.349 -3.664 3.325) 5.129 2.030 ( -3.142 2.675 -0.582) 4.168 2.081 ( 1.878 -0.556 -1.725) 2.610 2.203 ( -0.611 -3.933 -3.604) 5.369 2.667 ( 3.117 1.256 -0.866) 3.470 3.513 ( -0.500 0.671 -2.172) 2.328 4.252 ( 2.543 2.792 -3.351) 5.049 4.386 ( 0.074 1.719 -2.051) 2.677 4.592 ( -9.752 0.616 7.365) 12.236 6.048 ( -10.624 -0.542 16.056) 19.260 7.765 ( 10.327 4.430 -16.957) 20.342 8.689 ( -16.868 -10.088 49.846) 53.581 10.038 ( 5.994 1.841 2.639) 6.803 11.242 ( -6.425 0.845 4.727) 8.021 11.630 ( -3.458 2.067 -4.410) 5.973 14.352 ( -15.303 -11.286 10.641) 21.790 14.651 ( -1.505 1.318 5.202) 5.573 15.925 ( 1.182 1.153 -0.486) 1.721 17.134 ( 9.015 1.790 -3.982) 10.016 ======================= Grid point 181 (85/230) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -0.231 6.130 11.246) 12.810 0.649 ( -5.302 9.917 -2.920) 11.618 1.169 ( -4.850 2.691 12.398) 13.582 1.476 ( -0.364 0.980 2.477) 2.689 1.508 ( -0.158 -2.636 1.923) 3.267 1.826 ( 0.172 -0.593 -1.604) 1.719 1.960 ( -3.620 -1.107 1.597) 4.108 2.115 ( 4.883 -0.091 -3.146) 5.809 2.216 ( -0.243 -2.552 -0.824) 2.693 2.640 ( -0.270 3.498 -2.805) 4.491 3.479 ( 0.367 0.798 -3.259) 3.376 4.199 ( -1.239 3.945 -1.921) 4.560 4.326 ( -1.482 1.556 -4.055) 4.589 4.495 ( -10.669 2.073 6.666) 12.750 6.029 ( -11.178 2.526 16.269) 19.900 7.679 ( 7.804 5.949 -14.354) 17.388 9.224 ( -2.310 -22.222 51.473) 56.112 10.138 ( 5.892 0.146 9.590) 11.256 11.179 ( -6.719 -0.166 2.915) 7.326 11.522 ( -2.255 0.546 -7.066) 7.437 14.385 ( -21.886 -16.337 14.170) 30.768 14.657 ( -2.146 2.019 6.560) 7.191 15.894 ( -1.294 2.980 -0.479) 3.284 17.172 ( 7.690 3.634 -7.067) 11.059 ======================= Grid point 182 (86/230) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -4.056 7.933 6.970) 11.312 0.653 ( 5.845 5.321 14.384) 16.413 1.189 ( -7.240 2.389 18.193) 19.726 1.481 ( 1.567 -1.370 -3.477) 4.053 1.531 ( -1.998 0.092 2.368) 3.100 1.769 ( -0.228 1.874 -5.756) 6.058 1.971 ( -1.893 -2.627 0.910) 3.364 2.146 ( 3.431 0.461 -2.512) 4.277 2.258 ( 1.888 -1.779 2.255) 3.437 2.545 ( -1.696 4.295 -3.717) 5.928 3.448 ( 1.550 0.963 -4.246) 4.622 4.092 ( -5.933 4.776 1.353) 7.735 4.249 ( -0.922 2.168 -4.126) 4.751 4.402 ( -6.710 1.710 5.514) 8.852 5.978 ( -11.074 4.524 16.289) 20.210 7.596 ( 7.902 5.210 -12.906) 16.005 9.746 ( 3.948 -9.028 6.069) 11.573 10.538 ( 3.788 -24.314 25.318) 35.306 11.126 ( -6.190 -1.317 1.604) 6.529 11.536 ( 4.976 -11.026 10.467) 15.997 14.367 ( -32.649 -17.373 16.387) 40.451 14.663 ( -2.547 2.172 7.687) 8.384 15.817 ( -2.717 4.080 -0.774) 4.963 17.099 ( 3.977 8.610 -11.960) 15.264 ======================= Grid point 183 (87/230) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -1.749 4.132 12.498) 13.279 0.811 ( 6.090 3.511 14.065) 15.723 1.241 ( -6.352 1.836 19.905) 20.974 1.460 ( -3.156 -1.506 -3.846) 5.198 1.530 ( 2.233 -0.522 -1.421) 2.698 1.703 ( 2.877 2.598 -6.487) 7.557 1.983 ( -1.981 -3.160 0.507) 3.764 2.159 ( 2.711 2.227 0.610) 3.561 2.324 ( 1.246 -1.445 1.282) 2.298 2.447 ( -0.156 3.064 -4.689) 5.604 3.425 ( 2.810 1.080 -4.547) 5.453 3.974 ( -6.413 3.856 4.192) 8.577 4.191 ( 1.264 2.487 -2.419) 3.692 4.375 ( -2.183 0.568 4.729) 5.239 5.915 ( -10.662 4.807 16.137) 19.930 7.544 ( 8.508 3.314 -12.396) 15.396 9.809 ( 4.938 0.221 -8.407) 9.752 10.712 ( -14.058 -11.221 -15.466) 23.722 11.062 ( -7.647 -0.626 6.448) 10.022 12.279 ( 8.791 -44.642 25.922) 52.366 14.196 ( -35.671 -7.091 19.075) 41.067 14.661 ( -3.005 2.334 6.016) 7.119 15.720 ( -2.331 3.994 -1.612) 4.897 16.885 ( 2.462 14.246 -10.163) 17.672 ======================= Grid point 186 (88/230) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 3.959 -0.000 4.716) 6.157 1.091 ( -5.620 0.000 -6.037) 8.248 1.233 ( -4.617 0.000 11.757) 12.631 1.360 ( 2.470 -0.000 1.409) 2.843 1.594 ( -1.193 0.000 -5.754) 5.876 1.674 ( 0.737 -0.000 -0.539) 0.913 2.089 ( -0.507 0.000 -3.856) 3.889 2.154 ( -3.533 0.000 -5.095) 6.200 2.228 ( -4.632 0.000 2.650) 5.337 2.440 ( 7.781 -0.000 4.947) 9.220 3.540 ( 1.692 -0.000 -0.342) 1.726 4.249 ( 9.282 -0.000 4.965) 10.527 4.288 ( 5.319 -0.000 -5.357) 7.549 4.633 ( -2.117 0.000 7.283) 7.585 5.888 ( -7.364 0.000 15.869) 17.494 7.705 ( 15.151 -0.000 -13.296) 20.158 8.829 ( -38.040 0.000 17.774) 41.988 9.853 ( 7.054 -0.000 -2.142) 7.372 11.271 ( -4.529 0.000 13.248) 14.001 11.924 ( -14.212 0.000 5.774) 15.340 14.386 ( -6.126 0.000 -1.006) 6.208 14.642 ( -0.281 0.000 3.259) 3.271 15.776 ( 8.727 -0.000 -1.528) 8.860 16.965 ( 8.682 -0.000 -2.079) 8.928 ======================= Grid point 187 (89/230) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.976 5.942 -0.345) 6.031 1.014 ( -1.543 -4.157 -1.286) 4.617 1.266 ( -3.709 1.289 10.410) 11.126 1.394 ( 2.125 2.987 0.755) 3.742 1.529 ( -2.057 -0.455 -2.281) 3.105 1.662 ( -1.749 -0.689 -0.691) 2.003 2.057 ( -0.039 0.449 -2.669) 2.706 2.098 ( -1.110 -3.172 -3.879) 5.132 2.167 ( -6.319 0.822 2.226) 6.750 2.586 ( 7.094 -0.460 3.524) 7.935 3.548 ( 0.467 0.226 -0.867) 1.010 4.301 ( 4.876 0.853 -5.274) 7.233 4.396 ( 5.332 0.258 3.891) 6.606 4.639 ( -5.526 0.163 6.282) 8.368 5.956 ( -4.883 -1.421 15.533) 16.345 7.791 ( 16.078 0.353 -15.052) 22.027 8.555 ( -32.678 -0.505 28.917) 43.638 9.951 ( 6.964 -0.086 2.384) 7.362 11.296 ( -5.449 0.400 7.931) 9.631 11.795 ( -7.849 1.189 -0.100) 7.940 14.278 ( -10.738 -1.010 2.576) 11.089 14.669 ( -0.494 0.870 5.087) 5.185 15.878 ( 7.566 -0.408 -1.646) 7.754 17.066 ( 9.300 0.045 -2.719) 9.689 ======================= Grid point 188 (90/230) ======================= q-point: (-0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -5.990 4.965 2.486) 8.168 1.033 ( 2.913 3.933 -2.619) 5.551 1.268 ( -3.479 4.576 7.647) 9.567 1.371 ( 0.772 0.442 1.502) 1.746 1.521 ( -1.526 -0.451 1.050) 1.907 1.674 ( -0.586 -3.506 3.063) 4.692 2.043 ( -0.545 -2.380 -3.297) 4.103 2.057 ( -5.955 -0.864 -1.985) 6.337 2.137 ( 0.536 -0.554 2.214) 2.344 2.688 ( 4.737 0.525 0.998) 4.869 3.533 ( 0.157 0.792 -1.787) 1.960 4.301 ( 3.917 1.046 -5.695) 6.990 4.439 ( -0.721 2.385 2.272) 3.372 4.601 ( -7.847 0.106 6.416) 10.137 6.044 ( -4.092 0.075 15.452) 15.985 7.846 ( 14.208 2.224 -16.810) 22.122 8.507 ( -24.165 -4.931 42.458) 49.101 10.070 ( 6.323 0.890 4.763) 7.966 11.255 ( -6.658 0.299 2.760) 7.213 11.674 ( -4.325 1.390 -5.652) 7.251 14.188 ( -12.775 -3.324 7.513) 15.188 14.695 ( -1.007 1.866 6.827) 7.149 15.948 ( 4.942 0.622 -1.605) 5.234 17.161 ( 9.195 0.621 -3.460) 9.844 ======================= Grid point 189 (91/230) ======================= q-point: (-0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -4.262 4.639 9.456) 11.362 0.929 ( 2.660 11.758 -4.544) 12.883 1.244 ( -2.599 3.843 8.670) 9.833 1.434 ( 1.238 -3.124 2.527) 4.205 1.507 ( -1.709 0.785 2.464) 3.100 1.761 ( 0.413 -4.244 3.723) 5.661 1.942 ( -8.150 -0.634 -1.186) 8.260 2.068 ( 2.621 -3.668 -4.916) 6.670 2.184 ( 1.684 -0.045 3.545) 3.925 2.708 ( 1.136 2.158 -1.907) 3.096 3.507 ( 0.934 1.364 -2.597) 3.079 4.281 ( 2.770 2.117 -4.902) 6.015 4.375 ( -4.728 2.939 0.450) 5.585 4.537 ( -8.910 1.194 6.578) 11.140 6.100 ( -5.677 2.935 16.028) 17.255 7.820 ( 9.897 5.348 -14.738) 18.540 8.783 ( -13.486 -13.809 51.119) 54.642 10.173 ( 5.103 1.910 4.891) 7.322 11.169 ( -7.707 -0.487 0.344) 7.730 11.543 ( -2.755 0.990 -9.955) 10.376 14.148 ( -13.823 -5.058 12.273) 19.165 14.716 ( -1.531 2.561 7.929) 8.472 15.965 ( 2.265 2.490 -1.451) 3.666 17.228 ( 7.729 1.423 -5.076) 9.355 ======================= Grid point 190 (92/230) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -2.277 6.641 9.915) 12.149 0.828 ( 6.406 9.707 3.300) 12.089 1.247 ( -2.916 2.837 9.639) 10.463 1.468 ( -2.025 -0.471 1.158) 2.380 1.524 ( 0.360 -0.560 2.716) 2.797 1.787 ( -2.465 -0.047 -2.697) 3.654 1.885 ( -3.965 -4.533 2.030) 6.355 2.115 ( 3.676 -2.906 -3.324) 5.745 2.243 ( 2.595 0.348 4.030) 4.806 2.638 ( -1.768 3.325 -4.637) 5.974 3.483 ( 2.169 1.813 -3.243) 4.303 4.219 ( -4.026 5.269 1.068) 6.716 4.288 ( -0.294 1.065 -4.447) 4.582 4.458 ( -7.682 2.536 6.832) 10.589 6.102 ( -7.868 5.312 16.980) 19.454 7.744 ( 7.860 6.671 -12.571) 16.258 9.305 ( -7.956 -21.569 44.770) 50.328 10.260 ( 2.204 -1.216 6.617) 7.079 11.083 ( -8.171 -1.842 1.852) 8.579 11.424 ( -1.176 -1.253 -8.224) 8.402 14.140 ( -14.552 -4.210 15.808) 21.894 14.729 ( -2.074 2.968 8.069) 8.844 15.926 ( 0.141 4.442 -1.304) 4.631 17.230 ( 4.743 3.266 -8.003) 9.859 ======================= Grid point 191 (93/230) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -0.506 8.927 8.364) 12.243 0.910 ( 5.893 4.509 10.231) 12.639 1.277 ( -1.999 1.054 10.955) 11.185 1.429 ( -3.782 0.106 -1.608) 4.111 1.546 ( 0.019 0.389 1.653) 1.698 1.733 ( 0.371 0.145 -4.047) 4.067 1.906 ( -3.001 -3.531 1.235) 4.796 2.174 ( 3.633 -0.986 -0.212) 3.771 2.309 ( 2.517 0.164 2.828) 3.790 2.520 ( -2.022 2.843 -6.833) 7.672 3.464 ( 3.217 2.117 -3.706) 5.345 4.092 ( -7.037 5.468 3.972) 9.757 4.253 ( 3.233 2.024 -4.681) 6.038 4.407 ( -4.187 2.303 7.251) 8.684 6.063 ( -9.309 6.797 17.516) 20.968 7.659 ( 6.945 6.066 -11.587) 14.809 9.697 ( -5.021 -12.837 12.047) 18.306 10.362 ( -10.895 -10.989 4.431) 16.096 11.030 ( -8.235 -1.980 6.220) 10.509 11.521 ( 1.639 -15.665 13.391) 20.674 14.129 ( -12.113 -0.148 17.287) 21.109 14.727 ( -2.557 3.031 6.726) 7.808 15.844 ( -1.022 5.798 -1.400) 6.051 17.132 ( 1.927 6.618 -10.281) 12.378 ======================= Grid point 192 (94/230) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -0.118 6.026 10.455) 12.068 1.010 ( 1.469 2.421 10.843) 11.207 1.334 ( -3.862 2.573 6.669) 8.125 1.366 ( -0.542 -2.980 -2.115) 3.694 1.547 ( 0.662 0.530 -0.512) 0.991 1.726 ( 4.440 1.445 -4.047) 6.179 1.932 ( -1.491 -3.690 3.663) 5.409 2.223 ( 1.032 0.608 2.895) 3.133 2.328 ( -0.140 1.064 -1.970) 2.243 2.425 ( 1.323 1.017 -6.631) 6.837 3.457 ( 4.303 1.919 -3.530) 5.887 3.993 ( -4.269 4.124 5.139) 7.851 4.242 ( 4.686 2.645 -3.702) 6.531 4.419 ( -0.888 1.232 7.911) 8.055 5.999 ( -10.015 7.270 17.341) 21.304 7.593 ( 7.416 3.915 -11.084) 13.899 9.759 ( -4.231 -5.476 -3.661) 7.828 10.203 ( -22.140 -5.555 -9.286) 24.643 11.034 ( -6.794 -1.669 12.771) 14.562 11.956 ( -12.549 -28.966 24.660) 40.057 14.155 ( -0.964 2.395 14.327) 14.558 14.703 ( -2.602 2.881 4.005) 5.578 15.747 ( -0.443 5.840 -1.671) 6.091 16.974 ( 2.150 8.748 -8.433) 12.339 ======================= Grid point 196 (95/230) ======================= q-point: ( 0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -8.236 0.000 2.112) 8.502 1.067 ( 7.498 -0.000 1.864) 7.726 1.325 ( -3.186 0.000 11.209) 11.653 1.451 ( 1.772 -0.000 -2.159) 2.793 1.469 ( -2.476 0.000 -1.479) 2.884 1.622 ( -1.681 0.000 0.308) 1.709 1.999 ( -0.895 0.000 -4.181) 4.276 2.043 ( -6.070 0.000 -0.663) 6.106 2.139 ( -0.974 0.000 4.382) 4.489 2.694 ( 5.375 -0.000 1.646) 5.621 3.544 ( 0.471 -0.000 -1.661) 1.726 4.311 ( 4.175 -0.000 -6.457) 7.689 4.473 ( -0.709 0.000 4.505) 4.561 4.601 ( -7.314 0.000 5.192) 8.970 6.046 ( -1.385 0.000 15.148) 15.211 7.873 ( 16.118 -0.000 -16.566) 23.114 8.448 ( -26.808 0.000 39.877) 48.050 10.081 ( 6.592 -0.000 5.649) 8.681 11.258 ( -6.726 0.000 1.980) 7.011 11.692 ( -4.632 0.000 -6.067) 7.633 14.153 ( -11.953 0.000 6.307) 13.515 14.721 ( -1.081 0.000 7.437) 7.515 15.955 ( 6.438 -0.000 -2.189) 6.800 17.168 ( 9.320 -0.000 -3.283) 9.881 ======================= Grid point 198 (96/230) ======================= q-point: (-0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -5.006 2.155 8.881) 10.420 1.157 ( 6.978 5.484 -0.919) 8.923 1.350 ( -2.908 4.377 7.393) 9.070 1.392 ( -0.359 0.653 1.949) 2.086 1.480 ( -1.221 -3.392 -1.219) 3.805 1.652 ( 0.040 -3.678 2.979) 4.734 1.930 ( -8.837 -0.231 -1.176) 8.918 1.986 ( 1.375 -2.198 -2.804) 3.819 2.188 ( 0.976 0.168 5.872) 5.955 2.743 ( 1.987 0.736 -1.380) 2.529 3.534 ( 1.330 0.679 -2.223) 2.678 4.304 ( 3.663 0.292 -6.622) 7.574 4.448 ( -5.942 2.206 3.593) 7.286 4.549 ( -7.318 -0.117 5.713) 9.285 6.154 ( -2.143 1.268 15.319) 15.520 7.919 ( 13.919 2.452 -16.419) 21.664 8.556 ( -19.421 -4.917 49.636) 53.527 10.209 ( 5.644 0.879 5.181) 7.712 11.160 ( -7.976 -0.232 -1.353) 8.094 11.562 ( -2.985 0.449 -11.254) 11.651 14.083 ( -10.541 -1.045 11.117) 15.355 14.765 ( -1.878 1.202 8.761) 9.040 16.006 ( 4.502 0.854 -2.224) 5.094 17.249 ( 7.782 0.409 -4.350) 8.925 ======================= Grid point 199 (97/230) ======================= q-point: (-0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -0.450 3.378 11.816) 12.298 1.086 ( 3.729 10.482 -3.675) 11.717 1.337 ( -2.315 4.443 8.128) 9.548 1.436 ( 0.871 -1.788 2.527) 3.216 1.500 ( -0.405 -2.059 0.835) 2.258 1.734 ( -0.448 -5.278 2.764) 5.975 1.805 ( -8.167 -0.624 -1.677) 8.361 2.035 ( 3.585 -2.974 -1.022) 4.769 2.255 ( 1.647 0.371 5.856) 6.095 2.701 ( -1.762 1.793 -4.903) 5.510 3.526 ( 2.536 1.520 -2.509) 3.878 4.290 ( 3.357 0.448 -6.186) 7.053 4.345 ( -8.035 3.600 3.328) 9.412 4.506 ( -6.041 1.246 6.692) 9.101 6.213 ( -5.603 3.477 16.578) 17.841 7.898 ( 10.120 5.541 -13.862) 18.036 8.891 ( -14.110 -12.032 51.673) 54.900 10.288 ( 4.347 1.840 0.603) 4.758 11.047 ( -8.857 -1.090 0.785) 8.958 11.414 ( -1.847 0.011 -13.012) 13.143 14.088 ( -7.774 -0.882 14.984) 16.904 14.793 ( -2.571 2.052 8.724) 9.324 16.014 ( 2.493 2.627 -1.830) 4.058 17.281 ( 4.872 1.225 -6.092) 7.896 ======================= Grid point 200 (98/230) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.691 7.067 8.056) 10.739 1.028 ( 4.848 5.480 2.271) 7.661 1.315 ( -2.577 2.611 4.937) 6.151 1.456 ( -2.508 1.377 2.580) 3.853 1.530 ( -0.038 -1.522 1.296) 1.999 1.722 ( -2.369 -1.033 -1.481) 2.978 1.802 ( -2.027 -4.931 1.901) 5.660 2.127 ( 4.763 -2.347 1.252) 5.455 2.321 ( 2.060 0.548 4.323) 4.820 2.579 ( -3.880 1.996 -8.006) 9.118 3.520 ( 3.360 2.240 -2.866) 4.952 4.217 ( -8.056 4.470 3.901) 10.005 4.280 ( 3.550 0.428 -5.296) 6.391 4.478 ( -3.622 2.994 7.875) 9.171 6.215 ( -8.651 5.291 18.291) 20.914 7.823 ( 6.937 7.047 -11.758) 15.363 9.288 ( -15.653 -16.176 40.148) 46.027 10.286 ( 1.326 1.209 -6.108) 6.366 10.981 ( -8.691 -1.753 7.762) 11.784 11.330 ( 0.785 -3.420 -5.350) 6.399 14.146 ( -4.514 1.050 16.768) 17.396 14.797 ( -3.285 2.522 7.368) 8.452 15.977 ( 0.816 4.811 -1.265) 5.041 17.239 ( 1.587 2.697 -8.130) 8.712 ======================= Grid point 201 (99/230) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -0.254 8.085 5.654) 9.870 1.079 ( 1.998 2.941 6.341) 7.270 1.300 ( -1.976 -1.563 -0.750) 2.629 1.402 ( -3.881 2.841 4.202) 6.387 1.548 ( -0.562 -0.789 0.376) 1.039 1.742 ( 4.783 -0.171 -1.788) 5.109 1.842 ( -2.168 -3.853 3.565) 5.680 2.220 ( 2.366 -0.561 2.805) 3.712 2.356 ( 0.678 1.131 -0.253) 1.343 2.442 ( -1.366 0.341 -8.010) 8.132 3.513 ( 3.872 2.485 -3.133) 5.566 4.102 ( -5.997 4.493 4.549) 8.766 4.283 ( 4.161 0.676 -4.326) 6.041 4.479 ( -1.241 3.537 9.088) 9.831 6.178 ( -10.339 6.782 19.259) 22.887 7.720 ( 5.087 6.480 -10.466) 13.319 9.487 ( -21.136 -14.103 19.017) 31.738 10.173 ( -2.992 1.830 -12.713) 13.188 10.991 ( -7.239 -1.673 13.969) 15.822 11.470 ( 0.666 -12.338 11.322) 16.759 14.228 ( -0.635 3.384 15.967) 16.334 14.771 ( -3.929 2.637 4.928) 6.832 15.903 ( 0.034 6.585 -0.837) 6.638 17.127 ( -0.021 4.206 -8.936) 9.876 ======================= Grid point 202 (100/230) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -1.780 4.916 4.851) 7.132 1.110 ( -1.657 1.711 7.909) 8.260 1.264 ( -3.809 -0.977 -0.679) 3.990 1.386 ( -0.026 0.618 -0.120) 0.630 1.552 ( -0.115 -0.306 1.087) 1.135 1.762 ( 3.995 1.145 -6.391) 7.623 1.942 ( 1.795 -3.652 8.873) 9.762 2.194 ( -5.517 -0.810 -3.764) 6.727 2.341 ( 3.255 1.812 -2.501) 4.487 2.418 ( 2.335 0.596 -2.072) 3.179 3.513 ( 4.041 1.950 -2.709) 5.241 4.042 ( -1.532 3.067 4.614) 5.748 4.297 ( 4.722 1.211 -3.799) 6.181 4.518 ( 0.034 2.581 9.778) 10.113 6.111 ( -11.157 7.949 18.808) 23.268 7.640 ( 6.134 3.863 -9.710) 12.117 9.413 ( -30.110 -10.801 9.638) 33.409 9.984 ( 0.523 4.413 -14.407) 15.077 11.063 ( -5.461 -1.645 16.761) 17.705 11.741 ( -7.336 -15.456 16.403) 23.701 14.325 ( 2.549 3.388 12.129) 12.848 14.717 ( -4.135 2.212 2.309) 5.227 15.819 ( 1.105 6.759 -0.622) 6.877 17.007 ( 1.342 4.363 -7.336) 8.641 ======================= Grid point 207 (101/230) ======================= q-point: ( 0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -0.544 0.000 11.420) 11.433 1.258 ( 2.530 -0.000 -5.955) 6.470 1.404 ( 2.908 -0.000 2.979) 4.163 1.413 ( -3.179 0.000 6.370) 7.120 1.444 ( -1.053 0.000 4.519) 4.640 1.641 ( -0.143 0.000 0.097) 0.173 1.802 ( -7.981 0.000 -1.206) 8.071 1.997 ( 3.584 -0.000 0.595) 3.633 2.259 ( 0.903 -0.000 6.887) 6.946 2.723 ( -1.745 0.000 -4.940) 5.239 3.546 ( 2.613 -0.000 -2.189) 3.409 4.293 ( 3.041 -0.000 -6.367) 7.056 4.394 ( -8.649 0.000 3.833) 9.460 4.519 ( -4.628 0.000 6.419) 7.913 6.256 ( -4.856 0.000 16.240) 16.951 7.975 ( 12.618 -0.000 -16.278) 20.596 8.740 ( -16.692 0.000 53.999) 56.520 10.313 ( 4.942 -0.000 -0.108) 4.943 11.033 ( -8.975 0.000 0.318) 8.980 11.415 ( -2.046 0.000 -14.218) 14.365 14.079 ( -6.091 0.000 14.769) 15.976 14.819 ( -2.972 0.000 8.998) 9.476 16.046 ( 3.501 -0.000 -2.084) 4.074 17.295 ( 4.893 -0.000 -5.579) 7.421 ======================= Grid point 209 (102/230) ======================= q-point: (-0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 2.750 1.886 10.036) 10.576 1.163 ( -1.051 4.355 -5.067) 6.764 1.397 ( -4.631 3.163 4.971) 7.494 1.469 ( 0.115 -0.265 3.360) 3.373 1.493 ( 1.206 -1.101 1.414) 2.161 1.655 ( -2.234 -3.869 1.908) 4.858 1.725 ( -1.183 -0.822 -1.272) 1.921 2.084 ( 5.532 -1.005 3.106) 6.424 2.328 ( 1.000 0.096 5.898) 5.983 2.613 ( -4.908 0.733 -8.484) 9.828 3.561 ( 3.237 0.978 -2.237) 4.055 4.279 ( 1.636 0.274 -4.382) 4.686 4.299 ( -7.479 1.486 3.097) 8.230 4.531 ( -1.997 1.171 7.592) 7.937 6.303 ( -8.797 1.903 18.388) 20.473 7.963 ( 8.820 3.649 -14.152) 17.070 9.011 ( -17.412 -6.132 48.184) 51.599 10.322 ( 3.996 1.048 -10.519) 11.301 10.953 ( -8.923 -0.568 9.005) 12.690 11.286 ( 0.008 -0.758 -11.031) 11.057 14.167 ( -1.485 0.519 16.792) 16.866 14.840 ( -3.922 0.960 7.752) 8.741 16.060 ( 2.327 1.841 -1.246) 3.218 17.278 ( 1.310 0.736 -7.073) 7.231 ======================= Grid point 210 (103/230) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -1.359 6.172 2.685) 6.866 1.122 ( 2.654 0.235 2.269) 3.499 1.319 ( -4.661 3.076 1.776) 5.860 1.455 ( -5.391 1.037 2.618) 6.082 1.514 ( 0.306 -1.782 0.397) 1.851 1.722 ( 4.180 -1.217 0.303) 4.364 1.752 ( 0.502 -3.140 2.550) 4.076 2.205 ( 5.208 -0.570 4.107) 6.657 2.377 ( 0.256 0.578 2.355) 2.439 2.446 ( -5.000 0.032 -9.964) 11.148 3.567 ( 3.268 1.796 -2.563) 4.525 4.194 ( -6.829 2.951 3.937) 8.417 4.285 ( 3.023 -0.271 -3.661) 4.755 4.563 ( -0.468 2.831 8.713) 9.173 6.304 ( -11.580 3.451 20.736) 23.999 7.881 ( 4.763 5.953 -11.752) 14.008 9.196 ( -22.536 -8.928 31.821) 40.002 10.223 ( 2.526 1.652 -17.222) 17.484 10.962 ( -7.578 -0.662 15.921) 17.645 11.282 ( 2.659 -4.346 0.505) 5.120 14.303 ( 1.905 2.489 16.851) 17.140 14.825 ( -4.774 1.661 5.574) 7.524 16.041 ( 1.191 4.397 -0.074) 4.556 17.193 ( -1.540 1.488 -8.332) 8.603 ======================= Grid point 211 (104/230) ======================= q-point: (-0.22 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -5.611 4.214 -0.332) 7.025 1.168 ( -0.320 2.537 4.312) 5.013 1.258 ( -1.821 1.053 1.432) 2.545 1.402 ( -3.134 0.512 1.583) 3.548 1.538 ( -0.637 -0.949 1.691) 2.041 1.759 ( 3.989 -1.349 -6.006) 7.335 1.868 ( 3.205 -2.397 7.877) 8.836 2.189 ( -7.412 0.461 -6.531) 9.890 2.365 ( 5.464 -0.010 -1.340) 5.626 2.420 ( 1.262 -0.154 0.208) 1.288 3.563 ( 3.027 1.986 -2.734) 4.536 4.119 ( -3.828 3.026 3.996) 6.307 4.305 ( 3.577 -0.273 -2.947) 4.643 4.599 ( -0.302 3.606 9.519) 10.183 6.274 ( -12.957 5.076 21.750) 25.821 7.761 ( 2.965 5.670 -10.005) 11.875 9.170 ( -28.123 -8.554 17.486) 34.203 10.073 ( 2.741 2.730 -17.606) 18.026 11.031 ( -6.028 -0.892 17.945) 18.952 11.450 ( 1.132 -8.700 10.496) 13.680 14.436 ( 3.266 5.054 15.104) 16.258 14.771 ( -5.434 2.094 3.203) 6.646 15.986 ( 0.372 6.659 0.790) 6.716 17.074 ( -1.728 1.390 -8.274) 8.566 ======================= Grid point 212 (105/230) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -6.915 0.751 -1.214) 7.061 1.144 ( -3.931 0.819 4.096) 5.736 1.256 ( -0.123 1.945 4.126) 4.563 1.372 ( -1.358 0.533 -2.412) 2.819 1.549 ( -1.903 -0.657 2.475) 3.191 1.759 ( 2.891 0.641 -6.020) 6.709 2.009 ( 2.194 -3.158 7.355) 8.299 2.042 ( -4.858 -2.561 -7.337) 9.165 2.377 ( 1.340 2.400 -3.339) 4.325 2.472 ( 4.977 0.566 1.084) 5.125 3.555 ( 2.209 1.429 -2.197) 3.428 4.100 ( 0.821 1.492 3.163) 3.592 4.332 ( 3.864 0.002 -2.924) 4.845 4.631 ( -1.714 2.977 9.739) 10.327 6.206 ( -13.808 6.925 20.222) 25.447 7.679 ( 5.703 2.745 -8.990) 10.995 8.989 ( -32.206 -6.431 15.033) 36.118 9.948 ( 4.657 2.815 -13.529) 14.582 11.127 ( -4.910 -1.416 17.239) 17.980 11.645 ( -3.502 -8.984 10.894) 14.548 14.516 ( 1.409 7.030 11.745) 13.761 14.693 ( -5.338 1.838 1.731) 5.905 15.916 ( 0.646 6.597 0.821) 6.679 16.992 ( 1.281 0.487 -6.449) 6.593 ======================= Grid point 218 (106/230) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -6.233 0.000 -3.728) 7.263 1.091 ( 4.940 -0.000 7.642) 9.100 1.395 ( -5.925 0.000 4.177) 7.250 1.441 ( -4.221 0.000 -2.089) 4.710 1.486 ( 0.008 -0.000 2.280) 2.280 1.703 ( 3.335 -0.000 1.144) 3.525 1.713 ( 3.580 -0.000 1.636) 3.936 2.197 ( 6.468 -0.000 4.604) 7.940 2.384 ( 0.416 -0.000 4.413) 4.433 2.446 ( -7.051 0.000 -11.407) 13.410 3.590 ( 2.971 -0.000 -2.270) 3.739 4.234 ( -7.298 0.000 3.884) 8.267 4.279 ( 2.896 -0.000 -3.675) 4.679 4.599 ( -0.030 0.000 8.590) 8.591 6.345 ( -12.359 0.000 21.248) 24.581 7.962 ( 5.359 -0.000 -13.413) 14.444 9.084 ( -22.564 0.000 36.206) 42.661 10.243 ( 3.592 -0.000 -19.059) 19.395 10.956 ( -7.731 0.000 16.948) 18.628 11.232 ( 2.632 -0.000 -2.866) 3.891 14.335 ( 3.225 -0.000 17.129) 17.430 14.846 ( -4.970 0.000 5.793) 7.633 16.097 ( 1.951 -0.000 0.258) 1.969 17.209 ( -2.196 0.000 -8.115) 8.407 ======================= Grid point 219 (107/230) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -9.372 1.715 -1.935) 9.722 1.205 ( 2.340 0.514 4.647) 5.228 1.318 ( -3.951 3.037 2.718) 5.676 1.397 ( -3.632 -1.001 1.117) 3.930 1.512 ( 1.027 -0.867 0.463) 1.422 1.723 ( 4.138 -1.017 -4.729) 6.365 1.827 ( 3.672 -0.926 6.549) 7.565 2.206 ( -8.601 0.534 -9.462) 12.798 2.353 ( 6.968 -0.490 0.658) 7.016 2.417 ( 0.130 -0.117 1.944) 1.951 3.599 ( 2.257 0.857 -2.516) 3.487 4.175 ( -4.797 1.383 3.610) 6.161 4.295 ( 3.105 -0.377 -2.612) 4.075 4.667 ( -0.341 1.639 9.265) 9.415 6.351 ( -14.730 1.430 23.981) 28.180 7.877 ( 1.753 3.010 -11.975) 12.471 9.023 ( -27.064 -3.290 22.209) 35.164 10.113 ( 3.772 0.726 -19.789) 20.159 11.020 ( -6.578 -0.087 18.858) 19.973 11.311 ( 3.359 -2.872 6.617) 7.957 14.532 ( 5.796 2.329 16.191) 17.354 14.810 ( -5.660 0.920 3.688) 6.818 16.112 ( 1.272 3.092 2.193) 3.998 17.087 ( -4.288 -0.001 -8.783) 9.774 ======================= Grid point 220 (108/230) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -11.118 1.447 -1.215) 11.277 1.177 ( -6.495 1.397 3.179) 7.365 1.311 ( 1.161 2.163 2.586) 3.565 1.378 ( -1.829 0.242 0.200) 1.856 1.536 ( 0.211 -0.547 0.867) 1.047 1.752 ( 4.991 -0.916 -5.837) 7.734 1.941 ( 1.838 -2.252 6.299) 6.937 2.002 ( -7.217 -0.755 -8.715) 11.340 2.417 ( 0.893 0.925 -1.335) 1.854 2.469 ( 6.327 -0.488 1.175) 6.454 3.588 ( 1.359 1.136 -2.572) 3.123 4.141 ( -1.510 1.637 2.846) 3.614 4.322 ( 3.137 -0.618 -2.381) 3.986 4.704 ( -2.619 2.638 9.360) 10.071 6.331 ( -15.960 3.208 24.241) 29.200 7.754 ( 1.384 2.954 -10.543) 11.037 8.855 ( -29.415 -4.221 17.943) 34.713 9.996 ( 4.554 1.129 -16.558) 17.210 11.103 ( -5.729 -0.561 17.797) 18.704 11.471 ( 1.050 -5.160 9.752) 11.083 14.695 ( 5.645 6.459 14.090) 16.496 14.740 ( -5.991 1.789 2.458) 6.718 16.084 ( -0.415 6.785 3.172) 7.502 16.970 ( -2.698 -1.967 -7.864) 8.543 ======================= Grid point 221 (109/230) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -10.322 -0.757 -0.554) 10.364 1.115 ( -5.940 -0.166 4.183) 7.267 1.264 ( -6.988 -0.902 -6.525) 9.603 1.348 ( 0.041 2.673 3.667) 4.538 1.543 ( -1.010 0.387 1.592) 1.924 1.762 ( 2.603 1.154 -3.073) 4.189 1.925 ( 1.397 -3.111 -4.689) 5.799 2.037 ( -0.596 -3.039 5.440) 6.260 2.383 ( 0.175 2.353 -3.651) 4.346 2.557 ( 5.745 -0.043 -0.641) 5.781 3.566 ( 0.195 0.823 -2.188) 2.346 4.150 ( 2.063 0.318 1.199) 2.407 4.349 ( 3.057 -0.736 -2.817) 4.222 4.696 ( -6.024 2.259 8.988) 11.053 6.253 ( -17.111 5.469 20.459) 27.227 7.693 ( 6.266 -0.265 -10.697) 12.400 8.689 ( -29.211 -2.724 26.769) 39.714 9.929 ( 5.402 0.547 -11.065) 12.325 11.185 ( -5.373 -1.293 14.870) 15.864 11.604 ( -1.905 -5.114 6.897) 8.795 14.658 ( -5.788 2.105 2.969) 6.837 14.749 ( 1.459 11.661 11.100) 16.165 16.000 ( -2.268 6.880 2.052) 7.529 16.947 ( 2.735 -3.636 -5.150) 6.872 ======================= Grid point 228 (110/230) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -12.231 0.000 -0.123) 12.232 1.194 ( -9.202 0.000 4.637) 10.304 1.339 ( -0.434 0.000 0.905) 1.004 1.388 ( 1.121 -0.000 0.937) 1.461 1.524 ( 2.234 -0.000 -1.573) 2.732 1.738 ( 5.069 -0.000 -5.034) 7.144 1.912 ( 1.420 -0.000 6.418) 6.573 1.995 ( -7.645 0.000 -9.778) 12.412 2.426 ( -0.137 0.000 0.418) 0.440 2.462 ( 7.276 -0.000 0.508) 7.294 3.603 ( 0.971 -0.000 -2.628) 2.802 4.164 ( -2.173 0.000 2.746) 3.502 4.312 ( 2.918 -0.000 -2.308) 3.720 4.739 ( -2.938 0.000 9.172) 9.631 6.367 ( -16.820 0.000 26.292) 31.212 7.794 ( -0.441 0.000 -12.116) 12.124 8.801 ( -28.673 0.000 19.377) 34.606 10.008 ( 4.627 -0.000 -17.712) 18.307 11.097 ( -6.181 0.000 17.983) 19.016 11.407 ( 2.323 -0.000 9.328) 9.613 14.763 ( -5.916 0.000 2.440) 6.400 14.780 ( 8.037 -0.000 14.777) 16.821 16.184 ( 1.256 -0.000 5.241) 5.389 16.934 ( -5.896 0.000 -9.113) 10.854 ======================= Grid point 229 (111/230) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( -12.810 1.194 2.025) 13.024 1.106 ( -10.770 -0.460 7.444) 13.100 1.248 ( -9.163 -0.331 -8.121) 12.249 1.410 ( 2.003 2.120 1.787) 3.420 1.544 ( 2.065 -0.492 -1.767) 2.762 1.766 ( 5.110 -0.526 -4.970) 7.147 1.886 ( -0.085 -0.217 -2.661) 2.671 1.979 ( -0.856 -1.488 5.812) 6.060 2.419 ( 0.099 0.722 -1.165) 1.374 2.545 ( 5.749 -0.530 -2.411) 6.257 3.582 ( -0.099 0.413 -2.738) 2.771 4.166 ( 0.434 0.613 1.214) 1.427 4.330 ( 2.514 -0.594 -2.787) 3.800 4.741 ( -7.335 1.124 8.485) 11.272 6.346 ( -18.080 2.032 23.763) 29.928 7.684 ( 0.874 -0.327 -12.029) 12.065 8.641 ( -26.343 -1.074 30.267) 40.140 9.933 ( 5.045 -0.047 -13.953) 14.837 11.164 ( -6.058 -0.419 15.247) 16.412 11.515 ( 0.322 -2.001 7.525) 7.793 14.698 ( -5.712 1.039 2.346) 6.261 14.982 ( 8.038 5.604 12.585) 15.950 16.203 ( -0.961 8.018 6.595) 10.426 16.818 ( -3.106 -5.678 -7.348) 9.792 ======================= Grid point 230 (112/230) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -11.490 0.543 4.091) 12.208 1.003 ( -13.937 -1.903 -11.490) 18.163 1.068 ( -9.814 -2.203 11.416) 15.215 1.423 ( 1.667 2.546 2.384) 3.865 1.552 ( 0.709 0.582 -0.862) 1.259 1.800 ( 4.385 -0.339 -3.287) 5.491 1.914 ( 3.317 -0.775 0.176) 3.411 2.028 ( -1.371 -2.364 3.720) 4.616 2.380 ( -0.532 2.660 -2.909) 3.978 2.592 ( 3.682 -1.782 -4.053) 5.758 3.546 ( -0.791 0.433 -2.781) 2.924 4.179 ( 1.720 -0.085 -1.078) 2.032 4.345 ( 2.156 -1.216 -3.676) 4.431 4.672 ( -11.246 0.746 7.706) 13.653 6.232 ( -19.489 4.099 17.263) 26.355 7.637 ( 5.294 -3.525 -14.133) 15.498 8.700 ( -16.639 2.639 52.274) 54.922 9.910 ( 5.361 -1.508 -8.795) 10.410 11.207 ( -6.219 -1.021 11.355) 12.986 11.582 ( -1.393 -2.380 2.887) 3.992 14.636 ( -4.937 1.306 3.798) 6.364 15.038 ( 2.442 15.766 10.409) 19.049 16.066 ( -6.377 10.826 3.277) 12.985 16.888 ( 5.258 -9.182 -3.351) 11.099 ======================= Grid point 238 (113/230) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -12.504 0.000 5.480) 13.652 0.976 ( -16.082 0.000 -11.333) 19.674 1.036 ( -12.420 0.000 14.106) 18.795 1.472 ( 2.237 -0.000 1.903) 2.937 1.546 ( 3.581 -0.000 -5.075) 6.211 1.779 ( 3.617 -0.000 -4.787) 6.000 1.922 ( 4.197 -0.000 1.711) 4.532 1.993 ( -2.242 0.000 4.630) 5.145 2.420 ( 0.032 -0.000 -0.379) 0.381 2.559 ( 2.877 -0.000 -6.519) 7.125 3.552 ( -0.646 0.000 -3.239) 3.303 4.183 ( 1.031 -0.000 -1.034) 1.460 4.326 ( 1.831 -0.000 -3.874) 4.285 4.682 ( -12.366 0.000 7.312) 14.367 6.288 ( -19.695 0.000 16.923) 25.967 7.586 ( 2.435 -0.000 -12.722) 12.953 8.736 ( -12.799 0.000 57.364) 58.774 9.887 ( 4.798 -0.000 -11.363) 12.334 11.195 ( -6.538 0.000 11.742) 13.440 11.552 ( -0.595 0.000 3.505) 3.555 14.654 ( -5.289 0.000 3.344) 6.258 15.238 ( 9.786 -0.000 8.669) 13.074 16.361 ( 1.305 -0.000 10.961) 11.038 16.644 ( -3.732 0.000 -7.409) 8.295 ======================= Grid point 239 (114/230) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -10.570 1.008 8.475) 13.585 0.674 ( -17.301 -2.134 -6.276) 18.527 1.033 ( -11.915 -1.986 19.724) 23.129 1.492 ( 2.166 2.624 0.087) 3.404 1.557 ( 2.984 -0.397 -3.882) 4.912 1.784 ( 1.851 -2.181 -5.239) 5.969 1.980 ( 0.827 1.550 3.725) 4.118 2.022 ( 1.915 -2.013 1.601) 3.207 2.388 ( -1.177 3.784 -1.449) 4.220 2.535 ( -0.063 -3.778 -6.401) 7.433 3.512 ( -0.475 0.223 -3.911) 3.946 4.167 ( -1.056 -0.227 -2.964) 3.155 4.313 ( 0.999 -1.057 -5.009) 5.216 4.559 ( -14.187 -0.356 6.589) 15.647 6.126 ( -20.151 1.507 12.485) 23.753 7.542 ( 5.652 -2.541 -13.632) 14.974 9.301 ( 13.486 9.484 74.574) 76.375 9.884 ( 5.505 -3.641 -6.005) 8.923 11.194 ( -6.959 -0.553 8.198) 10.767 11.554 ( -1.203 -0.599 -0.984) 1.666 14.621 ( -4.544 0.298 4.982) 6.750 15.348 ( 6.302 12.481 4.585) 14.714 16.187 ( -9.207 23.476 3.917) 25.520 16.786 ( 6.296 -18.189 -3.031) 19.485 ======================= Grid point 248 (115/230) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -8.424 0.000 10.613) 13.550 0.459 ( -11.041 0.000 8.977) 14.230 1.052 ( -12.835 0.000 25.618) 28.653 1.532 ( -1.264 0.000 2.476) 2.780 1.563 ( 7.280 -0.000 -8.987) 11.566 1.725 ( -0.935 0.000 -5.737) 5.812 2.006 ( 0.668 -0.000 1.002) 1.204 2.073 ( 2.053 -0.000 3.064) 3.688 2.411 ( -2.127 0.000 -6.924) 7.243 2.413 ( -1.531 0.000 1.462) 2.117 3.472 ( 0.276 -0.000 -5.072) 5.079 4.093 ( -5.695 0.000 -2.103) 6.071 4.260 ( -1.399 0.000 -5.007) 5.199 4.434 ( -10.663 0.000 5.475) 11.987 5.980 ( -17.731 0.000 12.722) 21.823 7.500 ( 7.662 -0.000 -13.375) 15.414 9.836 ( 4.105 -0.000 -8.811) 9.720 10.494 ( 51.629 -0.000 55.186) 75.571 11.154 ( -7.617 0.000 6.312) 9.892 11.550 ( 3.979 -0.000 4.002) 5.643 14.611 ( -4.205 0.000 5.994) 7.322 15.520 ( 5.879 -0.000 -4.122) 7.180 16.376 ( -17.196 0.000 -9.543) 19.666 16.521 ( 1.845 -0.000 -3.334) 3.811 ======================= Grid point 249 (116/230) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -2.378 0.000 11.720) 11.959 1.008 ( 4.820 -0.000 8.614) 9.871 1.399 ( -3.487 0.000 -5.152) 6.221 1.406 ( 1.647 -0.000 -4.287) 4.593 1.531 ( 1.913 -0.000 -1.139) 2.226 1.578 ( -2.144 0.000 3.486) 4.093 2.069 ( 1.117 -0.000 4.179) 4.326 2.143 ( 4.390 -0.000 0.733) 4.451 2.338 ( 0.791 -0.000 -2.639) 2.755 2.359 ( -5.136 0.000 0.420) 5.153 3.366 ( 0.446 -0.000 1.564) 1.626 4.057 ( -7.232 0.000 8.520) 11.176 4.073 ( 3.815 -0.000 -6.208) 7.286 4.472 ( -0.167 0.000 4.829) 4.832 6.173 ( -10.855 0.000 16.056) 19.381 7.236 ( 10.345 -0.000 -13.351) 16.890 9.643 ( 1.652 -0.000 -4.434) 4.732 10.369 ( -9.847 0.000 -20.938) 23.138 11.291 ( -4.591 0.000 13.890) 14.628 12.848 ( 22.849 -0.000 -11.454) 25.559 14.644 ( -37.314 0.000 9.603) 38.530 14.721 ( -4.930 0.000 4.591) 6.737 15.671 ( -8.972 0.000 2.680) 9.363 16.541 ( 10.137 -0.000 -6.246) 11.907 ======================= Grid point 250 (117/230) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.940 -0.764 8.609) 8.693 1.138 ( 4.578 -0.978 4.113) 6.232 1.321 ( -2.066 0.963 -1.940) 2.993 1.392 ( -2.320 -2.226 -1.326) 3.478 1.541 ( 1.605 1.703 -0.524) 2.398 1.583 ( 2.275 -1.425 -2.790) 3.872 2.121 ( 3.705 3.659 4.311) 6.760 2.202 ( 0.790 -2.130 -2.691) 3.521 2.287 ( -2.251 1.236 -0.443) 2.606 2.328 ( -1.780 -1.906 0.396) 2.637 3.410 ( 2.101 -0.785 2.983) 3.732 4.063 ( -4.338 -1.311 8.245) 9.409 4.091 ( 5.768 -1.362 -6.194) 8.572 4.540 ( 2.455 -0.718 5.482) 6.049 6.196 ( -10.208 -3.639 16.544) 19.778 7.273 ( 10.818 -1.715 -13.294) 17.225 9.648 ( 3.036 -0.647 -2.596) 4.047 10.022 ( -16.527 1.814 -14.120) 21.813 11.362 ( -4.726 0.675 16.940) 17.600 12.721 ( -9.473 12.556 -11.377) 19.413 14.441 ( -12.469 -1.127 18.005) 21.930 14.705 ( -4.070 -1.756 3.128) 5.425 15.626 ( -3.023 -2.645 1.310) 4.225 16.650 ( 9.815 -3.848 -6.970) 12.638 ======================= Grid point 251 (118/230) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -1.843 0.025 4.716) 5.064 1.207 ( 0.472 -1.629 -0.333) 1.728 1.287 ( -0.887 0.771 1.969) 2.293 1.380 ( -3.778 -0.160 3.759) 5.332 1.530 ( 3.038 -0.092 -5.501) 6.285 1.628 ( 3.670 -0.938 -0.153) 3.791 2.103 ( -2.926 1.696 -6.416) 7.252 2.173 ( 3.313 3.246 0.891) 4.723 2.272 ( -2.424 -0.797 1.397) 2.909 2.373 ( 1.852 -2.578 2.159) 3.839 3.481 ( 2.317 -0.749 3.412) 4.192 4.102 ( 0.359 -1.070 2.763) 2.984 4.154 ( 5.199 -2.558 -2.040) 6.143 4.640 ( 2.926 -1.390 5.528) 6.407 6.269 ( -10.271 -6.835 16.564) 20.654 7.329 ( 10.867 -2.527 -13.270) 17.337 9.636 ( -16.198 3.733 0.210) 16.624 9.718 ( -0.282 -1.412 -3.378) 3.672 11.431 ( -5.539 1.308 16.414) 17.373 12.307 ( -15.632 11.916 -3.768) 20.013 14.513 ( -4.874 -2.577 14.587) 15.594 14.706 ( -3.277 -1.946 2.943) 4.815 15.672 ( 1.084 -5.050 1.346) 5.338 16.757 ( 8.792 -3.216 -7.460) 11.970 ======================= Grid point 252 (119/230) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -4.130 2.496 2.392) 5.387 1.191 ( -3.835 -1.401 -1.386) 4.311 1.312 ( 0.773 0.304 2.749) 2.872 1.350 ( -4.302 1.341 4.824) 6.601 1.535 ( 2.417 -1.312 -3.873) 4.750 1.688 ( 2.595 -0.873 1.125) 2.960 1.980 ( -0.632 3.522 -6.083) 7.057 2.192 ( 1.293 -0.535 -0.687) 1.559 2.252 ( -3.182 0.313 1.557) 3.557 2.456 ( 4.455 -1.490 1.067) 4.818 3.535 ( 0.714 -0.127 2.714) 2.809 4.139 ( 2.763 -0.894 -1.965) 3.506 4.242 ( 4.743 -1.165 0.863) 4.960 4.736 ( 0.990 -1.996 5.070) 5.538 6.360 ( -11.272 -8.076 15.745) 20.981 7.388 ( 10.704 -2.322 -13.610) 17.470 9.357 ( -20.951 2.469 10.412) 23.525 9.788 ( 5.636 0.096 2.067) 6.003 11.458 ( -6.486 1.583 12.090) 13.811 11.987 ( -10.984 7.463 -2.422) 13.498 14.602 ( -6.135 -4.994 12.476) 14.773 14.710 ( -3.912 -1.150 4.891) 6.368 15.783 ( 2.790 -5.792 1.469) 6.595 16.833 ( 8.099 -1.169 -6.888) 10.696 ======================= Grid point 253 (120/230) ======================= q-point: (-0.56 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -5.592 4.038 3.536) 7.751 1.104 ( -7.920 0.900 -2.147) 8.255 1.287 ( -3.888 2.624 3.650) 5.943 1.373 ( 1.064 -2.002 2.605) 3.453 1.562 ( 0.855 -1.466 0.264) 1.718 1.736 ( 1.477 -0.868 1.855) 2.525 1.921 ( 4.182 3.349 -3.462) 6.379 2.194 ( -3.786 2.296 2.464) 5.067 2.216 ( -1.132 -3.788 -3.229) 5.104 2.538 ( 5.568 0.056 -0.287) 5.576 3.546 ( -1.403 0.520 1.445) 2.080 4.159 ( 3.015 -0.619 -4.520) 5.468 4.310 ( 3.474 1.138 1.456) 3.935 4.792 ( -2.733 -1.914 4.416) 5.534 6.422 ( -12.958 -6.764 14.429) 20.539 7.422 ( 9.865 -0.566 -14.925) 17.900 9.244 ( -15.105 -1.192 23.082) 27.611 9.885 ( 5.838 2.029 5.017) 7.961 11.430 ( -6.874 1.328 6.411) 9.493 11.771 ( -7.304 3.986 -4.047) 9.253 14.692 ( -4.103 -5.464 7.703) 10.297 14.727 ( -7.443 -4.406 11.232) 14.176 15.888 ( 1.132 -4.731 1.114) 4.990 16.888 ( 8.332 0.958 -5.848) 10.224 ======================= Grid point 254 (121/230) ======================= q-point: (-0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -5.385 3.471 6.354) 9.023 0.929 ( -11.822 2.937 0.056) 12.181 1.256 ( -1.874 2.036 5.441) 6.104 1.449 ( 2.918 -2.441 1.582) 4.120 1.578 ( -2.342 -0.894 2.357) 3.441 1.778 ( 2.582 1.206 -0.425) 2.881 1.945 ( 5.318 0.882 0.541) 5.418 2.111 ( -4.928 1.631 -0.680) 5.235 2.231 ( -1.005 -3.603 -1.482) 4.023 2.585 ( 3.872 1.934 -1.469) 4.571 3.514 ( -2.789 0.975 0.166) 2.960 4.157 ( 2.466 -0.335 -5.678) 6.200 4.329 ( 0.699 2.584 1.352) 2.999 4.777 ( -7.193 -0.620 3.670) 8.099 6.423 ( -14.330 -3.472 13.556) 20.029 7.398 ( 8.296 2.317 -15.801) 17.996 9.401 ( -3.690 -6.979 28.494) 29.568 9.989 ( 6.134 3.062 9.510) 11.724 11.365 ( -6.530 0.624 2.620) 7.063 11.610 ( -5.368 1.596 -5.921) 8.150 14.730 ( -1.952 0.202 6.209) 6.512 14.846 ( -10.291 -14.871 13.140) 22.354 15.939 ( -2.006 -3.390 0.837) 4.027 16.928 ( 8.569 3.113 -5.974) 10.901 ======================= Grid point 255 (122/230) ======================= q-point: (-0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( -4.474 1.973 8.322) 9.652 0.771 ( -10.114 3.107 8.797) 13.760 1.283 ( 1.220 0.196 4.415) 4.585 1.520 ( 2.497 -0.884 0.773) 2.759 1.569 ( -4.968 -0.131 5.473) 7.393 1.744 ( 1.179 3.808 -5.232) 6.577 2.026 ( -2.291 0.082 1.218) 2.596 2.043 ( 3.556 -0.922 0.129) 3.676 2.248 ( -0.564 -2.815 -0.808) 2.982 2.565 ( 0.453 3.411 -1.921) 3.941 3.460 ( -2.848 1.123 -0.641) 3.128 4.137 ( 1.650 -0.187 -5.631) 5.871 4.292 ( -2.732 3.168 1.642) 4.494 4.682 ( -10.410 1.189 3.213) 10.959 6.365 ( -14.500 0.282 13.674) 19.933 7.329 ( 7.897 3.976 -14.947) 17.366 9.673 ( 2.348 -4.394 8.758) 10.076 10.251 ( 14.419 -5.365 21.752) 26.643 11.298 ( -5.850 -0.102 2.287) 6.282 11.502 ( -2.117 -1.195 -3.301) 4.099 14.752 ( -2.828 0.562 6.969) 7.542 15.012 ( -10.897 -18.890 9.332) 23.720 15.940 ( -5.523 -3.744 1.614) 6.865 16.916 ( 6.786 6.492 -8.907) 12.943 ======================= Grid point 256 (123/230) ======================= q-point: (-0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -5.306 0.746 11.491) 12.679 0.761 ( -2.443 2.298 14.706) 15.084 1.351 ( 4.675 -1.287 -0.594) 4.885 1.537 ( -5.461 1.190 5.151) 7.601 1.550 ( -1.190 0.605 4.365) 4.565 1.648 ( -0.959 2.952 -7.133) 7.779 2.001 ( 0.051 -1.030 -0.932) 1.390 2.104 ( 1.178 -0.109 0.331) 1.228 2.280 ( 1.701 -1.624 0.718) 2.459 2.496 ( -2.403 2.910 -1.208) 3.962 3.406 ( -2.093 1.087 -0.710) 2.463 4.110 ( 0.629 -0.156 -4.469) 4.516 4.213 ( -5.600 3.372 2.566) 7.022 4.551 ( -9.451 1.844 3.417) 10.218 6.279 ( -13.480 2.626 14.500) 19.971 7.266 ( 8.631 3.694 -13.953) 16.818 9.719 ( 0.779 0.825 -2.799) 3.020 10.670 ( 11.792 -7.291 -5.093) 14.770 11.255 ( -5.508 -0.415 4.863) 7.359 11.685 ( 18.802 -10.093 14.623) 25.869 14.758 ( -4.205 0.716 6.924) 8.133 15.136 ( -13.859 -18.893 1.655) 23.490 15.914 ( -11.219 -6.372 3.499) 13.368 16.770 ( 3.047 12.788 -12.745) 18.310 ======================= Grid point 257 (124/230) ======================= q-point: (-0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -4.585 0.496 13.310) 14.087 0.870 ( 2.638 1.377 13.031) 13.366 1.401 ( 5.432 -0.490 -6.748) 8.677 1.507 ( -2.569 0.422 -0.874) 2.746 1.528 ( -3.498 0.611 -2.084) 4.117 1.568 ( -2.535 1.456 7.143) 7.718 2.027 ( 0.240 -3.166 -0.512) 3.216 2.105 ( 2.191 2.732 1.123) 3.677 2.328 ( 2.367 -0.314 -0.217) 2.398 2.423 ( -4.132 0.735 -0.163) 4.200 3.369 ( -1.074 0.783 0.083) 1.332 4.083 ( -0.646 -0.206 -2.029) 2.140 4.119 ( -5.749 2.649 2.814) 6.927 4.469 ( -4.608 0.979 4.037) 6.204 6.205 ( -12.038 2.463 15.377) 19.684 7.232 ( 9.531 2.113 -13.509) 16.668 9.677 ( 0.657 1.025 -4.861) 5.012 10.632 ( -2.322 -2.182 -21.608) 21.842 11.251 ( -5.026 -0.414 9.331) 10.607 12.359 ( 36.612 -11.724 6.537) 38.996 14.744 ( -5.327 0.336 6.105) 8.110 15.052 ( -27.475 -11.479 -3.979) 30.041 15.816 ( -17.462 -3.004 4.288) 18.230 16.551 ( 6.590 11.842 -9.399) 16.492 ======================= Grid point 259 (125/230) ======================= q-point: ( 0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.641 -0.000 4.861) 4.903 1.174 ( -0.534 0.000 -1.462) 1.557 1.317 ( 0.722 -0.000 0.354) 0.804 1.363 ( -1.206 0.000 4.668) 4.822 1.541 ( 1.405 -0.000 -5.343) 5.524 1.610 ( 3.386 -0.000 0.806) 3.481 2.123 ( -2.181 0.000 -4.878) 5.343 2.218 ( -0.215 0.000 -7.594) 7.597 2.285 ( 2.747 -0.000 7.822) 8.290 2.314 ( -1.667 0.000 3.707) 4.064 3.472 ( 2.957 -0.000 3.738) 4.767 4.102 ( 0.307 -0.000 8.234) 8.240 4.106 ( 6.652 -0.000 -7.410) 9.958 4.624 ( 3.462 -0.000 4.842) 5.952 6.182 ( -10.053 0.000 16.576) 19.386 7.299 ( 12.231 -0.000 -14.048) 18.626 9.689 ( 4.515 -0.000 1.100) 4.647 9.693 ( -21.584 0.000 -3.938) 21.940 11.448 ( -5.695 0.000 16.740) 17.682 12.468 ( -20.326 0.000 -8.896) 22.188 14.485 ( -3.769 0.000 13.457) 13.975 14.680 ( -2.291 0.000 3.471) 4.159 15.608 ( 1.696 -0.000 0.784) 1.868 16.712 ( 10.242 -0.000 -5.867) 11.803 ======================= Grid point 260 (126/230) ======================= q-point: ( 0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 1.025 2.089 2.162) 3.176 1.134 ( -4.213 -2.207 -1.555) 5.004 1.340 ( 1.931 1.359 2.319) 3.310 1.392 ( -2.760 1.126 6.629) 7.269 1.516 ( 2.228 -0.254 -5.473) 5.915 1.659 ( 1.995 -1.040 0.267) 2.266 2.051 ( -1.128 2.021 -3.591) 4.272 2.142 ( -1.980 -2.018 -5.988) 6.622 2.297 ( -2.606 1.749 2.917) 4.285 2.415 ( 5.084 -1.414 4.450) 6.903 3.536 ( 1.259 0.072 3.620) 3.833 4.128 ( 6.261 -0.110 -7.114) 9.477 4.214 ( 5.256 -0.858 6.003) 8.025 4.704 ( 1.936 -0.638 3.762) 4.279 6.215 ( -9.734 -3.339 16.446) 19.400 7.350 ( 13.285 -0.776 -14.819) 19.917 9.398 ( -23.196 0.874 8.317) 24.657 9.786 ( 5.597 -0.130 4.780) 7.361 11.488 ( -7.175 0.686 12.543) 14.466 12.126 ( -15.754 3.331 -6.711) 17.445 14.528 ( -7.120 -1.293 11.228) 13.358 14.699 ( -1.087 -0.105 5.176) 5.290 15.680 ( 5.347 -2.381 0.449) 5.871 16.805 ( 9.942 -0.795 -5.566) 11.422 ======================= Grid point 261 (127/230) ======================= q-point: (-0.67 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -0.031 5.473 2.051) 5.844 1.095 ( -5.356 -2.034 0.300) 5.738 1.348 ( 0.047 2.347 0.566) 2.415 1.378 ( -2.505 2.607 5.410) 6.507 1.523 ( 1.733 -1.759 -1.861) 3.092 1.694 ( 0.172 -2.228 0.907) 2.412 1.995 ( 1.908 2.427 -3.697) 4.817 2.123 ( -1.143 -3.488 -1.618) 4.011 2.244 ( -4.819 1.602 1.064) 5.188 2.533 ( 6.187 -0.332 2.217) 6.581 3.560 ( -1.195 0.526 2.686) 2.987 4.147 ( 5.822 -0.411 -8.027) 9.924 4.340 ( 5.861 1.218 4.598) 7.548 4.751 ( -1.293 -1.328 3.228) 3.722 6.279 ( -9.391 -4.550 16.041) 19.136 7.408 ( 13.655 -0.500 -15.631) 20.761 9.224 ( -20.220 -0.535 20.720) 28.956 9.916 ( 5.925 0.671 7.334) 9.452 11.457 ( -8.010 0.813 6.308) 10.227 11.857 ( -10.002 2.755 -7.414) 12.751 14.536 ( -10.910 -4.084 12.076) 16.780 14.734 ( -0.889 1.263 7.345) 7.506 15.794 ( 5.518 -3.060 0.039) 6.310 16.896 ( 9.721 -0.044 -5.117) 10.986 ======================= Grid point 262 (128/230) ======================= q-point: (-0.56 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( -0.542 7.481 4.230) 8.611 1.007 ( -8.057 3.062 1.089) 8.688 1.320 ( -1.855 2.723 4.496) 5.574 1.390 ( 1.484 -1.179 1.779) 2.600 1.549 ( -0.018 -1.682 -0.704) 1.823 1.752 ( 0.994 -2.696 3.210) 4.308 1.978 ( 3.510 0.579 -4.331) 5.605 2.146 ( -5.713 -0.635 -0.169) 5.750 2.158 ( -0.720 -0.131 1.236) 1.437 2.618 ( 5.048 0.902 0.030) 5.128 3.541 ( -2.795 1.109 1.607) 3.410 4.152 ( 5.067 -0.186 -8.456) 9.860 4.403 ( 2.427 3.453 2.998) 5.177 4.755 ( -4.840 -1.183 3.361) 6.010 6.342 ( -9.213 -2.971 15.871) 18.591 7.443 ( 12.767 1.356 -16.302) 20.751 9.257 ( -12.392 -4.742 30.327) 33.102 10.045 ( 5.223 1.697 8.171) 9.845 11.376 ( -7.786 0.248 1.689) 7.971 11.649 ( -6.745 1.512 -8.922) 11.287 14.559 ( -12.955 -7.850 13.573) 20.339 14.771 ( -1.166 2.226 8.958) 9.304 15.884 ( 3.200 -1.832 -0.257) 3.696 16.975 ( 9.546 1.101 -5.243) 10.946 ======================= Grid point 263 (129/230) ======================= q-point: (-0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 1.261 8.098 4.825) 9.511 0.865 ( -8.853 4.728 7.059) 12.270 1.315 ( -1.248 2.473 6.248) 6.835 1.464 ( 3.008 -3.243 0.307) 4.434 1.553 ( -1.717 -1.093 1.220) 2.373 1.804 ( 1.002 0.033 -1.015) 1.427 2.007 ( 3.777 -1.512 -1.135) 4.223 2.035 ( -6.458 0.105 -1.677) 6.674 2.202 ( 1.048 -0.666 3.067) 3.309 2.636 ( 1.786 2.379 -2.214) 3.709 3.494 ( -3.018 1.652 0.953) 3.570 4.142 ( 4.320 0.293 -8.083) 9.170 4.381 ( -1.914 4.216 2.513) 5.268 4.704 ( -7.865 0.461 3.489) 8.616 6.373 ( -9.421 0.423 16.167) 18.717 7.431 ( 11.142 4.005 -15.597) 19.582 9.509 ( -2.542 -8.274 26.936) 28.293 10.175 ( 5.002 -0.802 10.378) 11.548 11.289 ( -6.906 -0.631 1.325) 7.060 11.484 ( -4.760 -0.259 -8.196) 9.482 14.613 ( -14.279 -11.224 13.662) 22.727 14.806 ( -2.193 2.185 10.260) 10.717 15.916 ( 0.345 0.167 -0.043) 0.386 17.022 ( 8.467 2.820 -7.244) 11.494 ======================= Grid point 264 (130/230) ======================= q-point: (-0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -0.280 6.690 5.986) 8.982 0.835 ( -1.999 3.586 13.796) 14.394 1.336 ( -0.139 0.604 4.808) 4.847 1.522 ( 0.439 -2.007 -1.046) 2.306 1.557 ( -2.288 -0.420 4.113) 4.725 1.742 ( -1.105 3.742 -6.071) 7.216 1.970 ( -2.372 -1.738 -1.824) 3.460 2.078 ( 2.654 -2.037 0.960) 3.481 2.257 ( 2.014 -0.086 3.937) 4.423 2.572 ( -1.828 3.155 -3.985) 5.401 3.444 ( -2.160 2.013 0.872) 3.079 4.123 ( 3.741 0.874 -6.896) 7.894 4.305 ( -5.270 4.268 3.393) 7.583 4.605 ( -8.498 2.272 3.836) 9.597 6.361 ( -9.822 3.853 16.556) 19.632 7.383 ( 10.011 5.576 -14.015) 18.103 9.717 ( 0.755 -1.899 5.179) 5.567 10.428 ( 6.242 -10.797 7.443) 14.524 11.237 ( -6.129 -1.055 4.578) 7.722 11.457 ( 2.225 -7.101 4.360) 8.625 14.666 ( -15.949 -11.788 11.876) 23.116 14.836 ( -4.901 0.651 11.060) 12.115 15.892 ( -2.540 1.820 0.943) 3.265 16.989 ( 6.051 6.092 -11.072) 14.011 ======================= Grid point 265 (131/230) ======================= q-point: (-0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -1.515 4.054 10.754) 11.593 0.925 ( 3.088 2.906 12.136) 12.855 1.373 ( 0.812 -1.243 0.519) 1.573 1.505 ( -3.980 -0.151 1.741) 4.347 1.570 ( -3.040 0.550 4.467) 5.431 1.622 ( 1.514 3.516 -8.691) 9.497 1.962 ( -0.511 -2.238 -1.455) 2.718 2.139 ( 3.046 -0.071 1.939) 3.611 2.320 ( 2.117 -0.075 2.983) 3.659 2.459 ( -3.980 2.147 -4.563) 6.424 3.406 ( -1.107 2.153 1.220) 2.711 4.102 ( 3.326 1.496 -5.140) 6.303 4.203 ( -7.208 4.156 4.614) 9.514 4.514 ( -5.229 2.591 4.589) 7.424 6.312 ( -10.085 5.915 16.706) 20.391 7.327 ( 9.451 5.468 -13.008) 16.983 9.715 ( 0.789 1.661 -4.299) 4.676 10.521 ( -3.289 -7.062 -16.156) 17.937 11.232 ( -5.543 -1.018 9.551) 11.090 11.893 ( 17.459 -22.659 15.934) 32.744 14.660 ( -19.778 -9.470 11.415) 24.722 14.835 ( -8.184 0.201 8.850) 12.055 15.822 ( -5.555 2.998 2.232) 6.696 16.847 ( 4.690 10.266 -13.405) 17.523 ======================= Grid point 266 (132/230) ======================= q-point: (-0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -1.959 2.454 11.436) 11.859 1.037 ( 4.540 2.066 8.221) 9.616 1.368 ( -1.738 -0.726 -3.203) 3.716 1.473 ( -3.573 1.649 -0.717) 4.000 1.509 ( 0.764 0.554 -0.699) 1.174 1.597 ( 1.402 0.867 -1.822) 2.457 2.003 ( 1.610 -3.311 2.530) 4.467 2.196 ( 3.841 1.940 2.120) 4.797 2.343 ( -1.043 0.450 -5.076) 5.201 2.357 ( -3.192 0.044 1.598) 3.570 3.388 ( 0.220 1.774 1.982) 2.669 4.087 ( 1.110 2.113 -0.516) 2.442 4.109 ( -3.942 2.887 2.194) 5.356 4.492 ( -0.693 1.673 5.297) 5.598 6.248 ( -10.198 5.874 16.625) 20.369 7.284 ( 9.681 3.906 -12.856) 16.561 9.665 ( 1.662 1.539 -5.063) 5.547 10.321 ( -10.441 -3.840 -19.696) 22.621 11.278 ( -4.853 -0.957 13.989) 14.837 12.510 ( 13.624 -24.744 0.154) 28.247 14.553 ( -25.020 -4.087 15.258) 29.589 14.771 ( -6.349 2.800 4.727) 8.396 15.717 ( -6.269 3.832 2.295) 7.697 16.689 ( 7.345 9.566 -10.574) 16.040 ======================= Grid point 269 (133/230) ======================= q-point: ( 0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 3.876 -0.000 1.045) 4.014 1.046 ( -6.419 0.000 2.220) 6.792 1.394 ( 1.987 -0.000 0.938) 2.197 1.425 ( -2.268 0.000 6.064) 6.474 1.491 ( 0.717 -0.000 -3.644) 3.714 1.657 ( -0.352 0.000 -0.843) 0.914 2.035 ( -2.293 0.000 -6.248) 6.655 2.065 ( 1.197 -0.000 1.938) 2.278 2.265 ( -4.946 0.000 0.571) 4.979 2.528 ( 6.485 -0.000 3.482) 7.361 3.567 ( -1.193 0.000 3.192) 3.408 4.142 ( 6.798 -0.000 -9.437) 11.631 4.358 ( 7.237 -0.000 6.326) 9.612 4.734 ( -0.782 0.000 2.130) 2.269 6.222 ( -7.892 0.000 16.721) 18.490 7.402 ( 14.910 -0.000 -15.975) 21.852 9.218 ( -22.075 0.000 20.041) 29.815 9.923 ( 6.042 -0.000 8.096) 10.102 11.467 ( -8.578 0.000 6.237) 10.606 11.892 ( -11.254 0.000 -8.790) 14.280 14.490 ( -11.175 0.000 11.327) 15.912 14.754 ( 0.002 -0.000 8.063) 8.063 15.753 ( 7.253 -0.000 -0.611) 7.278 16.894 ( 10.336 -0.000 -4.722) 11.364 ======================= Grid point 270 (134/230) ======================= q-point: (-0.67 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.330 5.654 4.173) 7.035 1.030 ( -2.386 -1.866 3.606) 4.710 1.374 ( 0.176 3.002 -2.739) 4.067 1.434 ( -1.112 2.592 5.243) 5.953 1.492 ( 0.234 -2.625 -2.071) 3.352 1.673 ( -0.415 -3.064 2.670) 4.085 1.968 ( -0.527 -0.708 -4.844) 4.924 2.107 ( -1.352 -0.879 2.535) 3.005 2.196 ( -3.455 1.139 0.997) 3.772 2.632 ( 5.680 0.291 1.159) 5.804 3.562 ( -2.687 0.495 2.462) 3.677 4.147 ( 6.407 -0.165 -9.870) 11.769 4.477 ( 4.006 2.091 4.736) 6.546 4.726 ( -3.606 -0.963 1.933) 4.203 6.290 ( -5.570 -1.187 17.138) 18.060 7.464 ( 15.370 0.384 -16.355) 22.448 9.178 ( -17.364 -1.666 30.385) 35.036 10.072 ( 5.427 0.558 8.208) 9.856 11.378 ( -8.767 0.005 1.037) 8.828 11.676 ( -7.563 0.613 -10.826) 13.220 14.445 ( -13.121 -2.033 13.651) 19.043 14.823 ( -0.537 1.467 9.894) 10.016 15.847 ( 6.438 -0.968 -1.222) 6.624 16.990 ( 10.103 0.284 -4.690) 11.142 ======================= Grid point 271 (135/230) ======================= q-point: (-0.56 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -1.226 5.911 8.630) 10.532 1.002 ( -1.836 6.261 1.087) 6.614 1.359 ( 1.445 -0.674 1.347) 2.087 1.431 ( -0.146 2.803 4.058) 4.934 1.507 ( -0.109 -2.855 -2.225) 3.621 1.748 ( 0.289 -4.021 2.783) 4.899 1.958 ( 1.760 -2.011 -2.671) 3.779 2.034 ( -8.281 -0.297 -1.818) 8.483 2.217 ( 2.230 1.316 4.975) 5.608 2.680 ( 2.801 1.243 -1.808) 3.558 3.532 ( -2.835 1.309 2.147) 3.790 4.145 ( 5.873 0.001 -9.595) 11.250 4.488 ( -1.432 4.247 3.391) 5.621 4.698 ( -5.602 -0.925 3.010) 6.426 6.383 ( -4.698 0.310 17.678) 18.294 7.509 ( 14.356 2.298 -15.780) 21.456 9.330 ( -9.943 -5.667 35.124) 36.941 10.183 ( 3.671 0.827 4.795) 6.096 11.272 ( -7.902 -0.661 0.591) 7.952 11.484 ( -5.618 0.140 -11.342) 12.658 14.434 ( -13.400 -4.098 16.087) 21.334 14.873 ( -1.458 2.680 10.289) 10.732 15.917 ( 4.190 -0.172 -1.133) 4.344 17.067 ( 9.105 1.117 -5.924) 10.920 ======================= Grid point 272 (136/230) ======================= q-point: (-0.44 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 1.307 9.765 0.818) 9.886 0.926 ( -1.911 3.798 12.431) 13.138 1.387 ( -1.191 3.239 5.774) 6.727 1.460 ( 1.897 -2.517 -0.204) 3.159 1.524 ( 0.082 -2.405 -0.842) 2.549 1.790 ( -0.314 -0.459 -2.159) 2.229 1.916 ( -6.613 -2.124 -1.918) 7.205 2.016 ( 2.898 -2.765 1.163) 4.171 2.276 ( 2.288 1.369 4.986) 5.654 2.639 ( -1.176 2.274 -4.996) 5.613 3.497 ( -1.994 2.197 2.349) 3.785 4.139 ( 5.520 0.394 -8.591) 10.219 4.417 ( -5.055 4.817 3.951) 8.022 4.646 ( -6.565 0.911 3.913) 7.697 6.450 ( -5.821 3.246 18.223) 19.403 7.514 ( 12.320 4.849 -14.129) 19.363 9.602 ( -3.694 -6.831 24.329) 25.539 10.252 ( 1.551 -3.266 1.700) 3.995 11.208 ( -6.785 -1.171 5.191) 8.623 11.350 ( -3.268 -2.357 -5.586) 6.887 14.460 ( -13.195 -5.070 17.479) 22.479 14.898 ( -2.555 3.101 9.631) 10.436 15.940 ( 1.654 1.709 -0.372) 2.407 17.092 ( 7.101 2.772 -8.672) 11.546 ======================= Grid point 273 (137/230) ======================= q-point: (-0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( 0.265 7.494 6.025) 9.619 0.997 ( 2.624 2.859 10.499) 11.193 1.372 ( -2.397 1.555 3.755) 4.719 1.493 ( -0.220 -0.958 -0.395) 1.059 1.552 ( 0.036 -1.728 0.834) 1.919 1.701 ( -2.558 2.668 -5.754) 6.839 1.901 ( -1.111 -3.372 -1.132) 3.727 2.109 ( 3.756 -2.058 2.784) 5.108 2.331 ( 1.992 0.972 4.123) 4.681 2.517 ( -4.149 2.412 -7.327) 8.758 3.468 ( -1.066 2.846 2.605) 4.003 4.135 ( 5.528 0.969 -7.286) 9.197 4.315 ( -7.378 4.929 5.495) 10.436 4.582 ( -4.837 2.691 4.961) 7.433 6.464 ( -7.504 6.134 18.455) 20.845 7.478 ( 10.077 6.569 -12.484) 17.337 9.728 ( -1.451 -1.193 1.971) 2.723 10.315 ( -3.860 -8.615 -6.611) 11.525 11.206 ( -6.030 -1.060 10.619) 12.258 11.449 ( 3.238 -12.548 11.997) 17.659 14.494 ( -13.311 -3.847 18.013) 22.725 14.894 ( -4.014 3.218 7.892) 9.421 15.914 ( -0.877 3.909 0.882) 4.102 17.033 ( 4.896 5.393 -11.844) 13.904 ======================= Grid point 274 (138/230) ======================= q-point: (-0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -0.802 5.291 8.619) 10.145 1.090 ( 3.265 1.994 7.533) 8.449 1.351 ( -3.044 -0.493 0.834) 3.194 1.478 ( -3.478 0.642 2.726) 4.465 1.555 ( -1.590 0.404 -0.923) 1.882 1.619 ( 3.936 1.485 -7.616) 8.701 1.932 ( 0.850 -2.787 1.667) 3.357 2.208 ( 4.294 -0.687 3.059) 5.316 2.359 ( -5.869 0.947 -6.288) 8.654 2.371 ( 1.490 0.971 0.252) 1.796 3.447 ( -0.241 2.939 2.794) 4.062 4.136 ( 5.890 1.650 -6.449) 8.888 4.205 ( -7.941 4.737 6.999) 11.597 4.552 ( -1.360 3.104 6.046) 6.931 6.427 ( -8.821 8.165 18.097) 21.725 7.415 ( 8.526 6.595 -11.810) 15.989 9.695 ( 0.045 0.366 -5.221) 5.234 10.197 ( -10.557 -5.950 -15.652) 19.795 11.253 ( -5.373 -1.011 14.524) 15.519 11.879 ( 4.372 -23.563 15.093) 28.322 14.503 ( -12.847 -0.260 18.534) 22.552 14.848 ( -5.160 3.472 5.073) 8.026 15.840 ( -2.889 5.870 1.960) 6.830 16.904 ( 4.652 7.374 -12.901) 15.571 ======================= Grid point 275 (139/230) ======================= q-point: (-0.11 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -2.541 3.122 7.744) 8.728 1.164 ( 2.857 1.036 4.582) 5.498 1.315 ( -3.157 0.010 0.152) 3.160 1.429 ( -4.965 0.572 1.171) 5.133 1.533 ( 2.235 1.402 -1.671) 3.123 1.606 ( 4.376 0.447 -5.920) 7.375 2.033 ( 3.694 -3.442 5.057) 7.146 2.214 ( -4.630 -0.726 -8.285) 9.519 2.280 ( 1.647 0.409 2.329) 2.882 2.373 ( 0.395 1.615 0.493) 1.734 3.446 ( 1.083 2.146 3.053) 3.886 4.120 ( -3.848 3.061 4.237) 6.491 4.143 ( 4.447 2.690 -2.770) 5.890 4.576 ( 1.647 2.367 6.375) 6.997 6.353 ( -9.785 8.613 17.269) 21.637 7.354 ( 8.803 4.880 -12.135) 15.766 9.661 ( 1.021 -0.317 -3.328) 3.496 9.949 ( -14.785 -3.518 -13.155) 20.101 11.336 ( -4.943 -1.292 16.735) 17.497 12.254 ( -5.777 -22.310 4.007) 23.392 14.494 ( -9.042 3.104 18.183) 20.543 14.771 ( -4.780 3.269 2.758) 6.414 15.742 ( -2.490 6.525 1.996) 7.264 16.788 ( 6.727 6.316 -10.599) 14.053 ======================= Grid point 279 (140/230) ======================= q-point: ( 0.33 0.33 -0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -6.509 0.000 11.135) 12.898 1.089 ( 7.107 -0.000 0.092) 7.107 1.366 ( 0.717 -0.000 -4.863) 4.916 1.435 ( -0.236 0.000 -1.559) 1.576 1.506 ( -0.209 0.000 5.234) 5.238 1.669 ( -1.097 0.000 3.844) 3.998 1.931 ( 0.949 -0.000 -2.090) 2.295 2.029 ( -8.070 0.000 -1.448) 8.199 2.236 ( 1.966 -0.000 5.016) 5.387 2.695 ( 3.155 -0.000 -1.598) 3.537 3.549 ( -2.665 0.000 2.575) 3.706 4.144 ( 6.327 -0.000 -10.004) 11.837 4.552 ( -1.366 0.000 4.330) 4.540 4.677 ( -4.674 0.000 2.047) 5.102 6.387 ( -2.767 0.000 18.141) 18.351 7.537 ( 15.734 -0.000 -15.760) 22.270 9.259 ( -12.767 0.000 36.760) 38.914 10.196 ( 3.824 -0.000 3.675) 5.303 11.263 ( -8.260 0.000 0.340) 8.267 11.487 ( -5.788 0.000 -12.422) 13.705 14.388 ( -12.750 0.000 16.361) 20.742 14.909 ( -1.693 0.000 10.651) 10.785 15.913 ( 5.792 -0.000 -1.618) 6.014 17.080 ( 9.265 -0.000 -5.487) 10.768 ======================= Grid point 280 (141/230) ======================= q-point: (-0.56 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -4.309 1.906 11.645) 12.563 1.108 ( 3.583 6.625 -3.259) 8.206 1.386 ( 4.327 -1.560 1.008) 4.708 1.445 ( 0.191 -3.396 -1.953) 3.923 1.512 ( -0.867 4.683 4.224) 6.366 1.712 ( -1.069 -4.581 1.989) 5.107 1.896 ( -8.771 -0.015 -2.407) 9.095 1.963 ( 3.240 -1.257 1.183) 3.671 2.305 ( 1.989 0.746 5.126) 5.549 2.677 ( -0.776 0.816 -5.266) 5.385 3.539 ( -1.748 0.993 3.164) 3.749 4.143 ( 6.044 0.030 -9.150) 10.966 4.518 ( -5.737 2.859 4.218) 7.673 4.646 ( -4.435 -0.593 3.625) 5.759 6.506 ( -3.309 1.246 18.961) 19.288 7.599 ( 14.422 1.926 -14.289) 20.393 9.463 ( -8.367 -3.441 35.065) 36.213 10.224 ( 1.551 -0.075 -5.260) 5.485 11.187 ( -6.980 -0.463 5.931) 9.171 11.318 ( -4.331 -0.527 -9.674) 10.613 14.391 ( -10.753 -1.175 18.522) 21.449 14.958 ( -2.983 1.472 9.744) 10.296 15.967 ( 4.197 0.508 -1.015) 4.348 17.133 ( 7.393 0.794 -7.416) 10.502 ======================= Grid point 281 (142/230) ======================= q-point: (-0.44 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -0.727 5.926 4.514) 7.485 1.065 ( 1.659 3.271 5.018) 6.215 1.439 ( -2.885 1.157 -0.172) 3.113 1.470 ( 2.253 1.697 2.258) 3.613 1.499 ( 2.055 -2.139 0.467) 3.003 1.748 ( -3.462 0.787 -2.729) 4.478 1.789 ( -3.373 -5.368 0.160) 6.342 2.059 ( 4.676 -1.748 3.509) 6.102 2.359 ( 1.646 1.053 4.026) 4.475 2.566 ( -4.393 1.486 -8.498) 9.681 3.532 ( -0.989 2.136 3.532) 4.245 4.148 ( 5.870 0.176 -7.691) 9.677 4.425 ( -7.793 3.765 5.201) 10.098 4.630 ( -3.048 1.165 5.089) 6.046 6.586 ( -5.739 3.670 19.707) 20.851 7.619 ( 11.614 4.597 -12.413) 17.610 9.656 ( -7.098 -3.812 18.222) 19.924 10.171 ( -1.013 -3.072 -10.829) 11.302 11.187 ( -6.090 -0.456 11.917) 13.390 11.263 ( -1.110 -4.072 2.626) 4.971 14.444 ( -8.270 -0.881 19.390) 21.098 14.964 ( -4.175 2.295 7.836) 9.171 15.991 ( 2.263 2.291 0.310) 3.235 17.122 ( 4.860 2.240 -10.036) 11.374 ======================= Grid point 282 (143/230) ======================= q-point: (-0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.522 6.107 4.160) 7.407 1.126 ( 2.027 0.948 6.571) 6.942 1.363 ( -4.770 1.604 1.073) 5.146 1.504 ( 1.553 0.748 0.876) 1.934 1.524 ( -1.680 -1.544 -1.137) 2.549 1.661 ( 0.410 1.558 -4.565) 4.841 1.850 ( 0.428 -4.263 2.235) 4.832 2.180 ( 5.366 -1.351 3.692) 6.652 2.387 ( -4.868 1.237 -4.440) 6.704 2.395 ( -0.501 0.965 -3.627) 3.787 3.520 ( -0.658 2.884 3.401) 4.507 4.162 ( 5.889 0.495 -6.452) 8.750 4.317 ( -8.316 4.173 6.401) 11.294 4.629 ( -0.764 2.939 6.291) 6.986 6.607 ( -7.933 6.249 19.888) 22.305 7.581 ( 8.293 6.630 -11.121) 15.376 9.669 ( -6.528 -2.274 0.646) 6.943 10.068 ( -5.452 -4.165 -14.219) 15.788 11.235 ( -5.688 -0.429 15.467) 16.485 11.454 ( 1.755 -11.749 15.456) 19.494 14.518 ( -6.154 1.067 19.253) 20.241 14.927 ( -5.314 2.844 5.331) 8.046 15.975 ( 0.267 4.862 1.927) 5.237 17.037 ( 2.952 3.833 -12.174) 13.100 ======================= Grid point 283 (144/230) ======================= q-point: (-0.22 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -3.792 4.316 4.603) 7.362 1.191 ( 1.412 1.103 5.225) 5.524 1.306 ( -4.038 -0.235 1.629) 4.360 1.453 ( -4.605 1.404 0.578) 4.849 1.555 ( 2.284 -0.730 0.804) 2.529 1.622 ( 4.293 1.449 -8.678) 9.790 1.952 ( 2.992 -3.366 5.536) 7.136 2.200 ( -7.049 -0.257 -9.686) 11.982 2.286 ( 4.510 -0.113 1.650) 4.804 2.402 ( 0.693 0.893 0.364) 1.188 3.507 ( -0.161 2.774 3.049) 4.125 4.175 ( 4.568 1.264 -5.141) 6.992 4.225 ( -5.576 3.793 6.283) 9.217 4.650 ( 1.188 3.518 6.881) 7.819 6.570 ( -9.517 8.554 18.882) 22.809 7.498 ( 6.381 6.722 -10.913) 14.318 9.603 ( -7.975 -4.268 -1.279) 9.135 9.889 ( -5.997 -1.283 -14.112) 15.387 11.309 ( -5.338 -0.798 16.590) 17.446 11.774 ( -1.487 -16.138 13.670) 21.202 14.581 ( -4.752 3.824 18.296) 19.286 14.851 ( -5.788 3.159 3.040) 7.261 15.915 ( -1.138 7.325 2.939) 7.975 16.918 ( 3.327 4.155 -12.197) 13.308 ======================= Grid point 284 (145/230) ======================= q-point: (-0.11 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -6.226 1.584 3.490) 7.311 1.225 ( -0.850 0.300 3.099) 3.228 1.289 ( -1.582 0.093 2.694) 3.126 1.384 ( -4.257 1.013 1.092) 4.510 1.562 ( 2.056 2.045 -4.037) 4.971 1.634 ( 5.275 -0.665 -2.045) 5.696 2.048 ( -4.922 -2.494 -8.602) 10.219 2.095 ( 3.673 -3.086 5.698) 7.449 2.307 ( -0.482 1.768 -1.043) 2.108 2.417 ( 2.948 0.998 0.439) 3.143 3.509 ( 0.773 1.606 2.763) 3.289 4.147 ( -1.638 2.411 2.416) 3.786 4.211 ( 3.990 1.931 -1.704) 4.749 4.693 ( 1.961 2.932 6.474) 7.373 6.478 ( -10.881 9.595 16.975) 22.330 7.419 ( 7.509 4.779 -11.709) 14.708 9.515 ( -17.217 -5.917 3.294) 18.501 9.754 ( 2.232 1.310 -7.241) 7.690 11.394 ( -5.406 -1.480 15.642) 16.616 11.980 ( -7.709 -13.540 5.059) 16.382 14.612 ( -4.447 5.397 15.440) 16.950 14.764 ( -5.171 2.726 3.045) 6.591 15.833 ( -0.312 7.834 2.600) 8.260 16.836 ( 5.637 2.846 -9.782) 11.643 ======================= Grid point 289 (146/230) ======================= q-point: ( 0.44 -0.56 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -1.753 0.000 9.756) 9.912 1.137 ( 1.009 -0.000 -4.975) 5.076 1.410 ( 0.374 -0.000 -1.762) 1.801 1.471 ( 4.990 -0.000 2.619) 5.636 1.576 ( -0.703 0.000 3.176) 3.253 1.653 ( -2.451 0.000 1.256) 2.754 1.770 ( -6.733 0.000 -1.969) 7.015 2.036 ( 5.306 -0.000 3.555) 6.387 2.372 ( 1.386 -0.000 4.026) 4.258 2.584 ( -4.473 0.000 -8.825) 9.894 3.559 ( -0.962 0.000 3.846) 3.964 4.149 ( 5.881 -0.000 -7.731) 9.714 4.475 ( -8.628 0.000 4.977) 9.960 4.642 ( -1.640 0.000 5.167) 5.421 6.632 ( -5.179 0.000 20.140) 20.796 7.678 ( 12.530 -0.000 -12.564) 17.744 9.601 ( -9.505 0.000 25.858) 27.549 10.140 ( 0.435 -0.000 -15.300) 15.306 11.184 ( -6.035 0.000 13.117) 14.438 11.216 ( -1.987 0.000 -1.123) 2.283 14.435 ( -6.835 0.000 19.696) 20.848 14.994 ( -4.527 0.000 7.833) 9.048 16.019 ( 3.524 -0.000 0.139) 3.527 17.148 ( 4.823 -0.000 -9.378) 10.546 ======================= Grid point 291 (147/230) ======================= q-point: (-0.44 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.821 3.664 -0.158) 3.758 1.136 ( 1.088 -0.142 6.225) 6.321 1.397 ( -1.479 0.146 -2.369) 2.797 1.475 ( -2.618 -0.278 -1.814) 3.197 1.563 ( -0.273 2.708 3.078) 4.109 1.686 ( -2.355 0.353 -2.311) 3.318 1.733 ( 2.938 -4.506 4.295) 6.884 2.154 ( 6.269 -0.604 3.987) 7.454 2.410 ( -2.315 0.566 -1.919) 3.059 2.413 ( -4.063 0.398 -7.165) 8.246 3.573 ( -0.919 1.234 3.674) 3.984 4.166 ( 5.709 0.031 -6.147) 8.389 4.391 ( -9.029 1.654 5.873) 10.897 4.680 ( 0.431 1.124 6.332) 6.445 6.712 ( -7.855 2.233 21.181) 22.701 7.703 ( 8.874 2.864 -11.126) 14.517 9.616 ( -12.700 -1.437 9.435) 15.886 10.002 ( 0.306 -1.337 -18.085) 18.137 11.233 ( -5.361 0.280 15.821) 16.707 11.278 ( 0.439 -3.565 12.082) 12.604 14.540 ( -3.129 0.551 19.444) 19.702 14.976 ( -5.673 1.070 5.445) 7.936 16.059 ( 2.509 1.851 1.940) 3.672 17.096 ( 2.026 1.145 -11.341) 11.577 ======================= Grid point 292 (148/230) ======================= q-point: (-0.33 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -4.909 3.750 1.835) 6.444 1.211 ( 1.988 0.490 4.993) 5.396 1.324 ( -3.363 1.714 -0.234) 3.782 1.454 ( -1.956 -2.099 -2.628) 3.891 1.548 ( 0.487 1.444 1.994) 2.510 1.650 ( 0.759 0.304 -4.106) 4.186 1.873 ( 3.916 -2.969 6.297) 7.987 2.199 ( -8.287 0.097 -11.501) 14.176 2.276 ( 6.221 -0.509 2.174) 6.610 2.421 ( 0.255 0.614 0.142) 0.680 3.568 ( -1.041 2.028 2.951) 3.729 4.191 ( 5.406 0.241 -5.276) 7.557 4.304 ( -7.921 2.456 6.557) 10.572 4.729 ( 1.532 2.621 6.742) 7.394 6.736 ( -9.894 4.779 21.012) 23.712 7.651 ( 4.988 5.185 -10.574) 12.790 9.500 ( -14.682 -3.414 2.219) 15.236 9.868 ( 0.782 -0.729 -16.517) 16.552 11.300 ( -5.630 -0.019 16.440) 17.377 11.489 ( 0.545 -7.673 15.884) 17.648 14.663 ( -0.794 2.634 18.184) 18.391 14.914 ( -6.332 1.941 3.328) 7.412 16.070 ( 1.162 4.920 3.749) 6.294 16.987 ( 0.502 1.681 -12.402) 12.526 ======================= Grid point 293 (149/230) ======================= q-point: (-0.22 -0.56 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -9.021 3.053 2.830) 9.935 1.226 ( -2.997 0.112 1.428) 3.322 1.308 ( 0.746 1.454 3.368) 3.744 1.414 ( -2.776 0.682 -0.333) 2.878 1.591 ( 0.864 -0.991 3.262) 3.516 1.616 ( 4.029 0.685 -7.690) 8.709 1.997 ( -3.537 -1.728 -4.683) 6.118 2.027 ( 0.215 -2.424 2.103) 3.217 2.347 ( 2.585 1.318 -1.215) 3.146 2.425 ( 2.507 -0.152 -0.411) 2.545 3.553 ( -0.786 1.853 2.129) 2.930 4.199 ( 1.269 1.516 -1.993) 2.807 4.250 ( -1.871 1.526 3.183) 3.995 4.772 ( 1.360 3.268 6.462) 7.369 6.692 ( -11.687 7.397 18.563) 23.149 7.546 ( 3.674 5.221 -10.896) 12.628 9.374 ( -16.871 -5.236 6.127) 18.697 9.773 ( 3.475 0.209 -11.180) 11.710 11.367 ( -5.557 -0.766 14.738) 15.769 11.702 ( -2.712 -9.034 10.843) 14.372 14.751 ( -1.246 5.525 14.186) 15.275 14.831 ( -5.629 2.640 4.479) 7.663 16.031 ( -0.505 8.035 4.199) 9.080 16.879 ( 1.957 0.627 -11.253) 11.440 ======================= Grid point 294 (150/230) ======================= q-point: (-0.11 -0.56 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -9.642 0.688 3.268) 10.204 1.190 ( -4.545 -0.790 0.386) 4.629 1.308 ( -2.877 0.192 0.776) 2.986 1.371 ( -1.328 1.996 2.518) 3.477 1.571 ( 0.683 1.477 -1.557) 2.253 1.683 ( 4.612 -1.563 0.057) 4.870 1.902 ( -1.448 -2.464 -5.979) 6.627 2.143 ( 0.732 -2.993 5.873) 6.632 2.303 ( -0.752 2.825 -3.598) 4.636 2.476 ( 4.792 0.060 -0.860) 4.869 3.545 ( -0.499 0.689 1.569) 1.785 4.171 ( -0.370 1.667 0.348) 1.743 4.262 ( 3.014 0.401 -0.800) 3.144 4.796 ( -0.223 2.827 5.610) 6.286 6.571 ( -13.407 8.600 15.309) 22.093 7.456 ( 6.112 3.082 -12.383) 14.149 9.285 ( -17.231 -3.236 14.473) 22.734 9.776 ( 5.512 -0.901 -2.768) 6.233 11.420 ( -5.913 -1.482 11.315) 12.853 11.802 ( -6.032 -7.144 2.908) 9.792 14.723 ( -3.509 3.190 3.972) 6.186 14.800 ( -4.949 7.467 13.580) 16.269 15.949 ( -0.835 7.961 2.776) 8.473 16.844 ( 5.454 -0.599 -8.188) 9.856 ======================= Grid point 300 (151/230) ======================= q-point: (-0.44 -0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -5.481 0.000 0.778) 5.536 1.216 ( 2.483 -0.000 4.704) 5.319 1.369 ( 0.043 -0.000 -3.386) 3.387 1.400 ( -3.049 0.000 -1.872) 3.578 1.584 ( -3.163 0.000 4.522) 5.518 1.641 ( 0.225 -0.000 -3.751) 3.757 1.832 ( 5.629 -0.000 6.584) 8.662 2.201 ( -8.733 0.000 -12.433) 15.193 2.269 ( 6.653 -0.000 2.595) 7.142 2.429 ( 0.059 -0.000 0.088) 0.106 3.595 ( -1.356 0.000 2.888) 3.191 4.193 ( 5.411 -0.000 -5.072) 7.417 4.335 ( -8.499 0.000 6.453) 10.671 4.763 ( 1.866 -0.000 6.623) 6.881 6.794 ( -10.277 0.000 22.081) 24.356 7.718 ( 4.664 -0.000 -10.675) 11.649 9.458 ( -16.682 0.000 3.745) 17.097 9.857 ( 2.831 -0.000 -17.656) 17.882 11.303 ( -5.871 0.000 16.230) 17.259 11.395 ( 1.099 -0.000 16.069) 16.106 14.696 ( 0.866 -0.000 18.084) 18.105 14.938 ( -6.439 0.000 3.413) 7.287 16.132 ( 2.561 -0.000 4.096) 4.831 17.006 ( -0.761 0.000 -12.411) 12.434 ======================= Grid point 301 (152/230) ======================= q-point: (-0.33 -0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -10.083 1.897 3.388) 10.805 1.239 ( -1.145 0.679 -1.843) 2.274 1.345 ( 1.045 1.667 1.884) 2.724 1.395 ( -0.028 -1.941 -1.358) 2.369 1.577 ( -2.554 0.163 4.639) 5.299 1.627 ( 2.349 0.005 -4.539) 5.111 1.962 ( 2.798 -0.980 6.048) 6.735 1.987 ( -6.700 -0.766 -9.268) 11.462 2.366 ( 5.676 0.326 -0.206) 5.689 2.420 ( 0.330 -0.078 -1.475) 1.513 3.588 ( -1.681 0.841 1.708) 2.539 4.218 ( 4.678 0.243 -4.887) 6.769 4.282 ( -6.770 0.833 6.535) 9.446 4.833 ( 1.243 1.466 6.083) 6.379 6.815 ( -12.407 2.606 20.514) 24.115 7.644 ( 1.091 2.352 -11.066) 11.366 9.283 ( -16.765 -2.010 7.402) 18.436 9.770 ( 4.274 -0.231 -13.443) 14.107 11.357 ( -5.794 -0.106 13.937) 15.093 11.554 ( -0.765 -3.155 13.464) 13.850 14.854 ( -0.250 2.676 10.911) 11.237 14.876 ( -3.202 0.722 7.305) 8.008 16.188 ( 1.952 4.009 5.978) 7.458 16.875 ( -1.818 -0.519 -12.532) 12.674 ======================= Grid point 302 (153/230) ======================= q-point: (-0.22 -0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -12.075 2.942 5.198) 13.471 1.183 ( -2.958 0.353 -2.062) 3.623 1.318 ( -5.956 0.461 -1.066) 6.068 1.402 ( 0.661 0.239 1.108) 1.312 1.591 ( -2.521 -0.448 4.127) 4.856 1.639 ( 6.183 -0.731 -4.438) 7.646 1.866 ( -1.566 -0.771 -4.120) 4.475 2.075 ( 0.390 -2.300 6.576) 6.978 2.365 ( 0.758 2.247 -3.341) 4.098 2.460 ( 4.687 -1.242 -1.860) 5.193 3.565 ( -1.713 0.767 0.645) 1.985 4.212 ( -0.058 1.510 -1.050) 1.840 4.264 ( -0.443 -0.158 1.471) 1.544 4.861 ( -1.195 2.225 5.177) 5.761 6.744 ( -14.888 5.274 15.853) 22.379 7.523 ( 1.061 2.154 -12.037) 12.274 9.215 ( -13.564 -2.280 18.418) 22.987 9.748 ( 5.104 -1.166 -7.356) 9.029 11.392 ( -5.745 -0.752 10.445) 11.944 11.663 ( -3.255 -4.119 6.839) 8.621 14.785 ( -5.514 2.137 2.747) 6.521 14.983 ( 2.313 6.090 13.392) 14.892 16.165 ( -1.157 9.379 5.019) 10.701 16.792 ( 1.588 -3.600 -9.723) 10.489 ======================= Grid point 303 (154/230) ======================= q-point: (-0.11 -0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -11.002 1.650 6.268) 12.769 1.082 ( -9.551 -0.658 -3.961) 10.361 1.236 ( -4.633 -1.456 2.494) 5.459 1.423 ( 1.778 1.479 2.189) 3.185 1.592 ( -1.410 0.845 2.667) 3.133 1.714 ( 4.603 -2.566 -1.537) 5.489 1.871 ( 3.393 -0.311 -0.155) 3.411 2.132 ( -3.160 -2.591 3.211) 5.197 2.305 ( -0.009 3.483 -3.291) 4.792 2.521 ( 4.760 -1.498 -2.228) 5.466 3.539 ( -1.961 -0.094 0.075) 1.965 4.182 ( 0.260 1.262 -1.939) 2.329 4.285 ( 1.414 -1.038 0.087) 1.756 4.838 ( -4.567 1.797 4.300) 6.525 6.581 ( -16.448 5.940 12.611) 21.560 7.430 ( 4.389 -0.011 -14.109) 14.776 9.283 ( -7.962 1.927 27.559) 28.751 9.817 ( 5.580 -3.373 0.953) 6.589 11.399 ( -6.027 -1.145 6.333) 8.817 11.680 ( -4.949 -3.264 -0.378) 5.940 14.728 ( -3.874 1.521 4.466) 6.105 14.991 ( -2.214 11.769 11.876) 16.866 16.041 ( -3.641 8.706 2.226) 9.696 16.832 ( 6.471 -4.159 -6.233) 9.901 ======================= Grid point 310 (155/230) ======================= q-point: (-0.33 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -12.430 0.000 6.298) 13.935 1.192 ( -1.829 0.000 -4.398) 4.763 1.325 ( -7.465 0.000 -1.814) 7.682 1.397 ( 2.686 -0.000 -0.140) 2.690 1.575 ( -3.945 0.000 6.556) 7.652 1.641 ( 4.960 -0.000 -4.703) 6.835 1.857 ( -0.863 0.000 -3.635) 3.736 2.045 ( 0.323 -0.000 6.728) 6.735 2.404 ( 0.599 -0.000 -2.191) 2.272 2.432 ( 5.037 -0.000 -2.994) 5.860 3.575 ( -2.195 0.000 0.283) 2.214 4.234 ( 4.242 -0.000 -5.851) 7.228 4.259 ( -5.723 0.000 6.640) 8.766 4.890 ( -1.555 0.000 4.844) 5.087 6.810 ( -15.332 0.000 16.424) 22.468 7.550 ( -1.304 0.000 -12.123) 12.193 9.186 ( -12.004 0.000 19.989) 23.316 9.732 ( 4.866 -0.000 -9.206) 10.413 11.383 ( -5.743 0.000 10.006) 11.537 11.612 ( -2.430 0.000 8.311) 8.659 14.814 ( -5.911 0.000 2.841) 6.559 15.059 ( 5.252 -0.000 12.231) 13.311 16.315 ( 2.934 -0.000 8.289) 8.793 16.721 ( -3.083 0.000 -12.461) 12.837 ======================= Grid point 311 (156/230) ======================= q-point: (-0.22 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -12.852 2.290 8.577) 15.620 1.074 ( -11.102 -0.088 -5.636) 12.451 1.217 ( -3.240 -0.226 0.553) 3.295 1.438 ( 3.064 0.008 0.288) 3.078 1.583 ( -5.038 -1.187 6.910) 8.633 1.672 ( 5.307 -0.373 -4.325) 6.857 1.879 ( 4.190 0.405 1.609) 4.506 2.082 ( -2.783 -1.201 3.675) 4.764 2.383 ( 1.125 2.881 -1.945) 3.654 2.469 ( 3.454 -2.479 -3.997) 5.835 3.540 ( -2.476 0.073 -0.799) 2.603 4.217 ( 0.657 1.493 -2.953) 3.374 4.258 ( -1.549 -1.229 2.011) 2.821 4.872 ( -5.937 0.795 3.716) 7.049 6.687 ( -18.235 2.404 11.299) 21.586 7.425 ( 0.057 -0.218 -13.292) 13.294 9.327 ( -1.654 1.315 33.363) 33.430 9.743 ( 4.452 -2.095 -4.409) 6.607 11.380 ( -5.653 -0.425 6.138) 8.355 11.624 ( -3.730 -1.233 1.957) 4.389 14.764 ( -5.029 1.016 4.351) 6.727 15.197 ( 5.129 4.354 8.232) 10.631 16.320 ( -1.526 12.968 4.130) 13.695 16.667 ( 2.163 -9.295 -6.948) 11.805 ======================= Grid point 312 (157/230) ======================= q-point: (-0.11 -0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -10.824 2.508 9.649) 14.715 0.873 ( -14.091 -1.628 -0.224) 14.187 1.229 ( 0.959 -0.258 3.063) 3.220 1.481 ( 2.524 0.333 1.467) 2.938 1.584 ( -5.284 -0.974 5.918) 7.994 1.714 ( 3.731 -2.347 -4.287) 6.149 1.958 ( 5.035 1.177 3.565) 6.281 2.070 ( -3.528 -1.592 -0.116) 3.872 2.322 ( -0.585 3.984 -2.814) 4.912 2.520 ( 2.367 -3.433 -2.097) 4.668 3.497 ( -2.737 -0.438 -1.191) 3.017 4.176 ( 0.450 1.294 -3.905) 4.139 4.274 ( -1.118 -2.072 1.056) 2.580 4.787 ( -9.596 0.225 3.140) 10.100 6.497 ( -18.300 2.421 10.776) 21.375 7.342 ( 4.052 -2.010 -14.624) 15.308 9.581 ( 4.706 7.566 22.521) 24.219 9.895 ( 8.957 -4.756 14.485) 17.682 11.350 ( -5.733 -0.530 3.268) 6.621 11.578 ( -3.949 -0.929 -3.126) 5.122 14.738 ( -3.860 0.772 6.203) 7.347 15.209 ( 0.689 11.882 5.987) 13.323 16.113 ( -6.378 12.474 1.384) 14.078 16.799 ( 6.572 -8.274 -5.432) 11.881 ======================= Grid point 320 (158/230) ======================= q-point: (-0.22 -0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -12.539 0.000 11.110) 16.753 0.853 ( -15.113 0.000 -0.004) 15.113 1.230 ( 3.274 -0.000 0.637) 3.335 1.482 ( 3.771 -0.000 -0.987) 3.897 1.554 ( -8.142 0.000 9.252) 12.325 1.693 ( 3.249 -0.000 -3.918) 5.090 1.975 ( 5.261 -0.000 3.485) 6.311 2.048 ( -3.241 0.000 0.313) 3.256 2.414 ( 0.759 -0.000 -7.565) 7.603 2.433 ( 0.640 -0.000 2.375) 2.460 3.492 ( -2.742 0.000 -1.729) 3.242 4.207 ( 2.953 -0.000 -7.982) 8.511 4.235 ( -5.117 0.000 5.773) 7.714 4.789 ( -10.668 0.000 2.769) 11.021 6.528 ( -19.718 0.000 9.352) 21.824 7.315 ( 2.334 -0.000 -13.865) 14.060 9.736 ( 2.638 -0.000 -3.759) 4.592 9.775 ( 16.257 -0.000 40.155) 43.321 11.343 ( -5.503 0.000 3.457) 6.498 11.567 ( -3.291 0.000 -1.960) 3.830 14.751 ( -4.688 0.000 6.115) 7.705 15.346 ( 5.773 -0.000 2.101) 6.143 16.473 ( 0.452 -0.000 -10.073) 10.083 16.525 ( 0.321 -0.000 5.742) 5.751 ======================= Grid point 321 (159/230) ======================= q-point: (-0.11 -0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( -10.202 1.502 12.150) 15.936 0.719 ( -10.824 -1.115 9.430) 14.399 1.294 ( 5.974 0.627 -0.595) 6.036 1.518 ( 0.773 -0.383 1.766) 1.966 1.540 ( -6.962 -1.885 8.098) 10.844 1.685 ( 0.360 -0.801 -4.574) 4.658 2.015 ( -1.389 -0.397 -0.766) 1.635 2.064 ( 3.712 0.517 3.041) 4.827 2.325 ( -0.608 3.050 -4.930) 5.829 2.479 ( -0.728 -3.221 0.941) 3.434 3.442 ( -2.614 -0.368 -1.791) 3.190 4.158 ( 0.552 1.464 -5.343) 5.567 4.224 ( -4.594 -2.415 2.714) 5.857 4.658 ( -12.069 -0.625 2.711) 12.385 6.360 ( -17.644 -0.095 11.449) 21.033 7.257 ( 5.983 -1.664 -14.228) 15.524 9.726 ( 1.422 0.691 -2.385) 2.861 10.376 ( 26.873 3.456 24.759) 36.703 11.297 ( -5.448 -0.091 2.990) 6.215 11.532 ( 1.927 0.941 1.159) 2.437 14.747 ( -4.372 0.054 7.257) 8.472 15.368 ( 2.538 7.059 -2.300) 7.846 16.212 ( -7.359 18.910 -0.780) 20.306 16.670 ( 1.143 -14.662 -7.635) 16.571 ======================= Grid point 330 (160/230) ======================= q-point: (-0.11 -0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -8.406 0.000 13.751) 16.116 0.732 ( -2.949 0.000 15.090) 15.375 1.369 ( 9.285 -0.000 -7.972) 12.238 1.522 ( -10.015 0.000 17.480) 20.146 1.527 ( 2.054 -0.000 -3.259) 3.852 1.616 ( -3.639 0.000 -4.862) 6.073 2.018 ( 2.129 -0.000 0.506) 2.188 2.099 ( -0.787 0.000 -0.814) 1.132 2.309 ( 1.840 -0.000 -2.779) 3.333 2.453 ( -2.770 0.000 2.151) 3.508 3.393 ( -2.029 0.000 -1.395) 2.462 4.130 ( 1.831 -0.000 -7.711) 7.926 4.153 ( -8.690 0.000 6.630) 10.930 4.527 ( -9.546 0.000 3.127) 10.045 6.246 ( -14.946 0.000 13.534) 20.163 7.219 ( 8.202 -0.000 -13.938) 16.172 9.706 ( 0.363 -0.000 -4.218) 4.234 10.756 ( 12.223 -0.000 -11.492) 16.777 11.259 ( -5.268 0.000 5.259) 7.443 11.827 ( 29.757 -0.000 16.063) 33.816 14.749 ( -4.877 0.000 7.310) 8.788 15.379 ( -1.501 0.000 -9.481) 9.599 16.222 ( -26.586 0.000 -3.516) 26.817 16.421 ( 6.784 -0.000 -7.360) 10.010 ======================= Grid point 331 (161/230) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -4.309 0.000 6.357) 7.680 1.069 ( 6.740 -0.000 -2.729) 7.272 1.322 ( 0.892 -0.000 -1.719) 1.937 1.326 ( -1.354 0.000 -1.619) 2.110 1.532 ( 2.360 -0.000 1.235) 2.663 1.597 ( -3.391 0.000 -0.595) 3.443 2.124 ( 2.008 -0.000 -1.829) 2.717 2.137 ( 2.927 -0.000 -0.283) 2.941 2.319 ( -1.503 0.000 2.094) 2.577 2.379 ( -3.108 0.000 0.888) 3.232 3.484 ( -3.237 0.000 9.605) 10.136 3.918 ( 5.351 -0.000 -9.326) 10.752 4.245 ( -7.970 0.000 9.807) 12.637 4.514 ( 4.106 -0.000 -1.214) 4.282 6.479 ( -9.282 0.000 14.463) 17.186 6.984 ( 9.014 -0.000 -11.949) 14.967 9.632 ( 0.288 -0.000 3.299) 3.311 10.012 ( -6.595 0.000 -15.019) 16.403 11.630 ( -3.826 0.000 20.090) 20.451 12.525 ( 13.081 -0.000 -20.396) 24.230 14.781 ( -11.281 0.000 4.025) 11.978 14.792 ( -5.273 0.000 2.472) 5.824 15.805 ( -16.726 0.000 10.868) 19.947 16.353 ( 14.804 -0.000 -12.354) 19.282 ======================= Grid point 332 (162/230) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -2.788 -1.540 3.512) 4.741 1.144 ( 5.396 -2.021 -3.114) 6.550 1.310 ( 0.122 0.237 -0.775) 0.820 1.330 ( 2.299 -1.097 -0.783) 2.665 1.545 ( -2.872 1.443 0.305) 3.228 1.585 ( 2.825 -0.570 1.436) 3.220 2.098 ( -1.976 1.196 -3.336) 4.058 2.137 ( 1.381 0.848 -3.357) 3.727 2.335 ( -0.543 0.504 4.067) 4.134 2.369 ( -0.243 -0.778 1.581) 1.779 3.541 ( -1.800 -0.695 9.335) 9.532 3.923 ( 6.862 -1.295 -10.265) 12.415 4.247 ( -5.278 -1.206 9.350) 10.805 4.581 ( 6.343 -1.146 -1.822) 6.699 6.506 ( -8.860 -3.621 14.237) 17.155 7.016 ( 9.369 -2.349 -12.438) 15.748 9.693 ( 2.288 0.285 6.812) 7.191 9.797 ( -8.143 1.499 -8.582) 11.925 11.727 ( -7.021 1.314 19.151) 20.439 12.367 ( -0.790 5.301 -22.274) 22.909 14.745 ( -6.138 -0.928 9.876) 11.665 14.768 ( -3.054 -1.648 4.469) 5.658 15.731 ( -10.548 -3.028 9.781) 14.700 16.463 ( 14.477 -2.102 -11.451) 18.578 ======================= Grid point 333 (163/230) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -3.504 -0.897 2.530) 4.414 1.193 ( -0.255 -2.997 -0.340) 3.027 1.316 ( 2.019 0.663 -0.420) 2.166 1.395 ( 4.800 -2.110 -0.659) 5.284 1.481 ( -2.850 2.664 -0.107) 3.902 1.647 ( 3.168 -0.987 0.842) 3.423 1.990 ( -2.787 3.862 -3.892) 6.151 2.141 ( 0.300 -2.273 -1.037) 2.517 2.328 ( -1.550 1.640 1.330) 2.619 2.417 ( 2.598 -0.413 2.354) 3.530 3.601 ( -1.757 -0.173 7.952) 8.145 3.949 ( 7.312 -2.298 -11.105) 13.493 4.293 ( -2.075 -1.245 8.602) 8.936 4.672 ( 6.550 -2.304 -2.468) 7.369 6.569 ( -8.958 -6.242 13.281) 17.193 7.070 ( 9.202 -3.683 -12.605) 16.035 9.622 ( -8.092 2.128 -0.356) 8.375 9.802 ( 3.954 1.030 9.957) 10.763 11.729 ( -10.147 2.598 12.743) 16.495 12.072 ( -5.651 5.129 -17.482) 19.075 14.756 ( -3.009 -0.303 6.347) 7.031 14.835 ( -4.133 -3.465 11.332) 12.550 15.760 ( -5.226 -5.878 8.009) 11.225 16.582 ( 13.160 -1.817 -9.524) 16.346 ======================= Grid point 334 (164/230) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -4.610 1.104 3.090) 5.658 1.205 ( -4.582 -1.330 3.047) 5.661 1.324 ( 1.105 -0.148 -1.565) 1.921 1.415 ( -1.950 2.591 1.119) 3.430 1.479 ( 4.520 -2.580 -1.991) 5.572 1.707 ( 2.995 -1.071 0.658) 3.248 1.897 ( 0.386 3.743 -1.962) 4.244 2.173 ( -0.696 -3.317 0.674) 3.455 2.281 ( -3.031 1.799 -0.451) 3.553 2.481 ( 4.396 0.609 1.755) 4.773 3.628 ( -3.022 0.711 6.221) 6.953 3.972 ( 6.619 -2.360 -11.530) 13.503 4.360 ( -0.019 0.103 7.414) 7.415 4.759 ( 4.638 -2.935 -2.495) 6.028 6.636 ( -9.501 -6.646 11.915) 16.625 7.122 ( 8.366 -3.349 -12.661) 15.540 9.542 ( -5.373 0.979 8.108) 9.776 9.939 ( 4.544 2.041 11.882) 12.884 11.626 ( -10.682 2.723 4.378) 11.861 11.812 ( -5.816 2.845 -13.324) 14.814 14.782 ( -1.744 0.172 6.393) 6.629 14.916 ( -6.591 -4.544 12.453) 14.804 15.850 ( -2.282 -6.465 5.590) 8.846 16.690 ( 11.225 -0.518 -6.792) 13.130 ======================= Grid point 335 (165/230) ======================= q-point: (-0.56 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -4.977 2.118 4.530) 7.055 1.132 ( -8.816 2.258 4.082) 9.974 1.352 ( 1.574 -1.210 0.903) 2.181 1.386 ( 0.045 1.338 0.888) 1.606 1.540 ( 2.683 -2.524 -2.069) 4.225 1.749 ( 2.548 0.559 -1.956) 3.260 1.897 ( 3.753 0.241 1.959) 4.241 2.180 ( -3.310 1.338 -1.681) 3.947 2.222 ( -2.503 -1.977 1.398) 3.482 2.544 ( 4.330 1.267 0.974) 4.615 3.613 ( -4.652 1.476 5.254) 7.172 3.981 ( 5.848 -1.946 -11.458) 13.010 4.408 ( -0.465 1.520 6.246) 6.445 4.811 ( 0.927 -2.186 -2.066) 3.147 6.675 ( -10.088 -4.671 11.156) 15.750 7.143 ( 7.092 -1.040 -12.695) 14.579 9.599 ( -0.573 -1.336 12.470) 12.554 10.076 ( 4.333 2.372 12.134) 13.101 11.482 ( -8.073 1.633 -0.764) 8.272 11.611 ( -5.375 0.891 -10.267) 11.623 14.814 ( -1.256 0.033 5.729) 5.865 14.992 ( -7.097 -6.132 11.495) 14.836 15.931 ( -2.085 -4.969 3.260) 6.298 16.771 ( 8.939 1.104 -5.216) 10.409 ======================= Grid point 336 (166/230) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -4.580 0.904 6.493) 7.997 1.030 ( -8.294 2.929 7.833) 11.778 1.356 ( -1.011 3.403 4.580) 5.795 1.425 ( 4.434 -2.047 -3.557) 6.042 1.582 ( 1.703 -2.199 -1.542) 3.180 1.731 ( 0.821 0.955 -3.954) 4.150 1.997 ( 3.768 -1.867 3.914) 5.745 2.078 ( -4.412 1.419 -2.584) 5.307 2.239 ( -0.734 -0.930 1.765) 2.126 2.571 ( 1.505 1.715 -0.109) 2.284 3.567 ( -5.710 2.007 5.460) 8.151 3.979 ( 5.305 -1.403 -10.638) 11.970 4.418 ( -2.631 2.042 5.892) 6.768 4.792 ( -3.587 -0.194 -1.715) 3.981 6.670 ( -10.509 -1.169 11.480) 15.608 7.118 ( 6.474 1.986 -12.131) 13.893 9.719 ( 0.730 -0.745 7.069) 7.145 10.237 ( 7.317 -1.203 9.799) 12.288 11.381 ( -4.442 0.286 0.285) 4.460 11.477 ( -3.093 -0.938 -5.308) 6.215 14.846 ( -1.368 -0.517 4.834) 5.050 15.071 ( -6.125 -7.436 7.734) 12.354 15.971 ( -2.820 -3.433 2.159) 4.940 16.798 ( 5.861 3.181 -6.364) 9.218 ======================= Grid point 337 (167/230) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -3.918 -1.156 8.496) 9.427 0.994 ( -4.892 2.519 11.744) 12.969 1.339 ( 1.140 4.319 1.675) 4.770 1.458 ( 3.453 -0.460 -4.676) 5.831 1.589 ( 0.853 0.350 -5.501) 5.577 1.705 ( -2.581 -1.656 1.341) 3.347 1.981 ( -2.378 -0.401 -3.390) 4.160 2.104 ( 1.317 -1.198 4.018) 4.395 2.259 ( 1.926 0.574 1.051) 2.267 2.541 ( -2.144 1.348 -0.882) 2.682 3.515 ( -5.827 2.173 6.592) 9.062 3.973 ( 4.778 -0.815 -9.416) 10.591 4.395 ( -5.243 2.046 6.668) 8.726 4.695 ( -6.534 1.884 -1.486) 6.961 6.625 ( -10.635 2.181 12.452) 16.520 7.067 ( 6.894 3.957 -11.293) 13.810 9.730 ( -1.801 1.356 -0.224) 2.265 10.419 ( 7.175 -4.188 -4.774) 9.581 11.360 ( -2.437 -0.238 5.229) 5.774 11.530 ( 8.196 -5.193 5.545) 11.175 14.870 ( -2.369 -0.879 4.128) 4.840 15.126 ( -5.579 -6.993 1.587) 9.085 15.987 ( -3.581 -3.544 2.430) 5.594 16.722 ( 1.338 6.564 -9.436) 11.572 ======================= Grid point 338 (168/230) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -3.408 -1.860 8.976) 9.780 1.023 ( -2.296 2.912 11.218) 11.815 1.312 ( 3.748 4.572 -2.196) 6.306 1.453 ( 1.067 0.567 -3.941) 4.122 1.519 ( -0.950 0.397 -5.788) 5.879 1.702 ( -4.334 -1.627 1.720) 4.939 1.969 ( 1.084 -2.872 -1.567) 3.446 2.138 ( 0.174 1.559 2.941) 3.333 2.295 ( 2.888 0.428 0.183) 2.925 2.481 ( -4.145 -0.020 -0.544) 4.181 3.477 ( -5.438 1.957 7.951) 9.829 3.960 ( 4.204 -0.166 -8.658) 9.626 4.348 ( -7.833 2.049 8.410) 11.674 4.571 ( -5.030 2.425 -1.420) 5.762 6.559 ( -10.394 3.751 13.472) 17.424 7.017 ( 7.632 4.123 -11.020) 14.025 9.672 ( -2.273 1.041 -1.991) 3.196 10.398 ( -0.334 -2.646 -17.251) 17.455 11.406 ( -1.981 -0.346 10.975) 11.157 11.904 ( 22.987 -9.095 5.775) 25.386 14.871 ( -4.155 -0.766 3.558) 5.523 15.099 ( -7.278 -4.424 -4.483) 9.625 16.005 ( -6.722 -5.261 4.299) 9.558 16.516 ( -1.021 10.994 -11.765) 16.134 ======================= Grid point 339 (169/230) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -4.460 -0.908 9.109) 10.183 1.034 ( 1.956 3.633 2.392) 4.769 1.311 ( 3.561 1.508 -1.279) 4.073 1.386 ( -2.489 0.666 -4.541) 5.221 1.501 ( 1.559 -0.173 -0.681) 1.711 1.655 ( -4.331 -0.509 -1.082) 4.493 2.041 ( 2.768 -4.247 0.989) 5.165 2.139 ( 2.103 3.447 0.970) 4.153 2.317 ( 0.296 -0.240 0.306) 0.488 2.426 ( -4.219 -0.351 0.026) 4.234 3.464 ( -4.666 1.208 9.043) 10.247 3.938 ( 4.162 0.375 -8.741) 9.688 4.287 ( -9.318 1.527 9.749) 13.572 4.502 ( 0.065 1.232 -1.250) 1.756 6.501 ( -9.892 2.891 14.178) 17.527 6.985 ( 8.354 2.538 -11.363) 14.330 9.628 ( -1.353 0.284 -0.096) 1.386 10.226 ( -4.327 -1.399 -18.526) 19.076 11.504 ( -2.277 -0.444 16.444) 16.607 12.341 ( 24.825 -6.876 -7.485) 26.826 14.840 ( -5.740 -0.555 2.919) 6.463 14.957 ( -11.400 -0.650 -5.055) 12.487 15.958 ( -18.261 -2.598 9.541) 20.766 16.324 ( 10.249 7.826 -13.326) 18.543 ======================= Grid point 341 (170/230) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.367 0.000 1.657) 1.697 1.149 ( 0.565 -0.000 -1.271) 1.391 1.345 ( 5.482 -0.000 -2.518) 6.033 1.351 ( 1.525 -0.000 1.666) 2.259 1.521 ( -2.240 0.000 -0.102) 2.242 1.626 ( 2.210 -0.000 0.776) 2.342 2.069 ( -1.413 0.000 -0.240) 1.434 2.082 ( -2.287 0.000 -5.106) 5.595 2.354 ( -1.613 0.000 0.260) 1.634 2.408 ( 3.049 -0.000 4.526) 5.457 3.601 ( -0.898 0.000 8.450) 8.498 3.917 ( 7.614 -0.000 -11.435) 13.738 4.278 ( -1.014 0.000 9.022) 9.078 4.642 ( 6.757 -0.000 -3.170) 7.464 6.490 ( -8.611 0.000 14.032) 16.463 7.024 ( 10.598 -0.000 -13.328) 17.028 9.650 ( -8.755 0.000 -0.685) 8.782 9.813 ( 3.665 -0.000 10.672) 11.284 11.762 ( -11.180 0.000 14.120) 18.010 12.140 ( -6.803 0.000 -21.247) 22.309 14.773 ( -5.754 0.000 12.670) 13.916 14.774 ( -0.518 0.000 6.338) 6.359 15.684 ( -4.800 0.000 7.679) 9.055 16.558 ( 14.310 -0.000 -9.082) 16.948 ======================= Grid point 342 (171/230) ======================= q-point: ( 0.22 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.664 1.275 1.762) 2.274 1.156 ( -1.962 -1.769 2.891) 3.916 1.353 ( 1.309 1.987 -1.748) 2.952 1.417 ( 4.114 -2.392 -2.146) 5.220 1.479 ( -1.293 2.162 -0.778) 2.636 1.667 ( 1.375 -1.678 1.542) 2.661 1.984 ( -1.734 2.940 -3.039) 4.570 2.097 ( 0.162 -2.613 1.946) 3.262 2.312 ( -3.305 0.740 -1.189) 3.590 2.492 ( 4.430 0.255 3.058) 5.389 3.646 ( -2.305 0.539 6.990) 7.380 3.926 ( 7.762 -1.203 -12.166) 14.481 4.369 ( 2.831 0.422 8.388) 8.863 4.701 ( 5.234 -1.506 -3.924) 6.713 6.518 ( -7.912 -2.690 13.720) 16.065 7.064 ( 11.434 -1.305 -13.503) 17.742 9.563 ( -7.617 0.546 7.583) 10.762 9.967 ( 4.187 0.470 12.453) 13.147 11.675 ( -13.198 1.136 5.936) 14.516 11.864 ( -7.172 1.236 -17.080) 18.566 14.789 ( -6.950 -0.016 11.727) 13.632 14.853 ( -1.211 -0.735 10.592) 10.687 15.730 ( -0.138 -2.895 5.548) 6.260 16.677 ( 13.022 -0.362 -6.751) 14.672 ======================= Grid point 343 (172/230) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 0.727 4.102 2.753) 4.993 1.172 ( -5.082 0.172 6.204) 8.021 1.315 ( 1.144 0.074 -4.063) 4.222 1.440 ( 0.077 2.228 0.432) 2.271 1.472 ( 2.397 -2.803 -2.397) 4.399 1.729 ( 1.481 -1.955 1.809) 3.047 1.923 ( 0.274 1.389 -1.472) 2.042 2.161 ( 0.996 -1.683 3.882) 4.347 2.227 ( -4.884 1.249 -2.679) 5.709 2.568 ( 4.671 0.750 1.247) 4.892 3.647 ( -4.118 1.236 5.990) 7.373 3.937 ( 7.309 -1.503 -12.165) 14.271 4.461 ( 2.892 2.590 6.506) 7.576 4.749 ( 2.485 -2.697 -2.915) 4.685 6.576 ( -6.783 -3.165 13.612) 15.534 7.118 ( 11.519 -0.902 -13.006) 17.397 9.577 ( -4.014 -0.595 13.567) 14.161 10.115 ( 3.040 0.964 11.271) 11.713 11.514 ( -11.222 0.994 -0.084) 11.267 11.630 ( -6.305 0.596 -13.014) 14.474 14.795 ( -8.322 -1.739 10.903) 13.826 14.931 ( -2.017 0.795 12.054) 12.247 15.825 ( 1.301 -3.680 3.872) 5.498 16.787 ( 10.952 0.359 -5.355) 12.196 ======================= Grid point 344 (173/230) ======================= q-point: (-0.56 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 0.252 6.094 3.612) 7.089 1.109 ( -6.859 3.482 6.727) 10.219 1.354 ( 3.759 -3.242 -1.611) 5.219 1.428 ( 0.210 2.282 1.978) 3.027 1.512 ( 0.954 -3.152 -1.513) 3.625 1.751 ( 1.254 0.023 -3.905) 4.102 1.955 ( 2.410 -1.552 3.465) 4.497 2.105 ( -6.600 0.739 -3.592) 7.550 2.227 ( 1.773 0.079 3.992) 4.368 2.608 ( 2.600 1.310 -1.173) 3.139 3.617 ( -5.232 1.969 6.246) 8.383 3.946 ( 6.858 -1.256 -11.380) 13.346 4.490 ( 0.108 3.763 4.627) 5.965 4.770 ( -1.191 -1.652 -1.134) 2.331 6.641 ( -5.870 -1.198 13.991) 15.219 7.159 ( 10.905 1.276 -11.942) 16.222 9.688 ( -0.012 -1.589 12.299) 12.401 10.217 ( 1.421 -0.397 6.641) 6.803 11.384 ( -6.628 -0.022 0.428) 6.642 11.458 ( -5.197 -0.643 -7.781) 9.379 14.802 ( -7.606 -3.073 8.727) 11.977 14.990 ( -3.182 0.898 12.007) 12.454 15.906 ( 0.458 -2.357 3.144) 3.956 16.857 ( 8.515 1.764 -6.337) 10.760 ======================= Grid point 345 (174/230) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.070 5.185 5.425) 7.505 1.064 ( -4.386 3.220 10.134) 11.502 1.419 ( -0.248 2.710 2.905) 3.980 1.422 ( 3.905 -2.376 -3.638) 5.842 1.550 ( 0.356 -3.252 -0.883) 3.389 1.714 ( 1.059 1.419 -5.691) 5.960 1.970 ( -5.141 -0.331 -3.822) 6.415 2.062 ( 1.559 -2.254 4.569) 5.328 2.278 ( 2.205 1.006 3.187) 4.004 2.579 ( -1.144 1.650 -3.536) 4.066 3.576 ( -5.431 2.665 7.446) 9.594 3.954 ( 6.397 -0.733 -9.963) 11.863 4.465 ( -2.622 3.764 4.716) 6.579 4.730 ( -4.575 0.757 -0.275) 4.646 6.681 ( -6.006 2.240 14.499) 15.853 7.169 ( 10.019 4.068 -10.538) 15.099 9.760 ( -0.824 0.844 1.857) 2.200 10.300 ( 2.266 -5.129 -2.021) 5.960 11.350 ( -3.257 -0.548 5.711) 6.597 11.413 ( 0.036 -4.058 2.646) 4.844 14.815 ( -6.238 -3.614 6.025) 9.395 15.031 ( -4.565 0.083 10.235) 11.208 15.948 ( -1.135 -0.570 3.836) 4.041 16.851 ( 5.742 4.106 -9.585) 11.904 ======================= Grid point 346 (175/230) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 0.305 3.168 7.701) 8.333 1.087 ( -1.610 2.490 11.314) 11.697 1.401 ( 0.321 2.548 -0.103) 2.570 1.453 ( 2.495 -0.768 -2.845) 3.862 1.550 ( 0.416 0.874 -6.583) 6.654 1.659 ( -3.143 -0.569 -0.307) 3.209 1.909 ( -0.711 -2.261 -3.496) 4.224 2.143 ( 1.268 -0.978 4.732) 4.996 2.317 ( 2.677 1.271 0.712) 3.048 2.489 ( -4.299 0.801 -3.711) 5.735 3.540 ( -5.158 3.066 8.694) 10.564 3.959 ( 5.904 0.045 -8.763) 10.567 4.418 ( -5.043 3.673 6.471) 8.989 4.638 ( -4.908 2.708 -0.245) 5.611 6.675 ( -6.906 5.439 14.732) 17.155 7.146 ( 9.012 6.090 -9.727) 14.592 9.704 ( -1.992 1.523 -4.045) 4.759 10.303 ( -1.402 -5.221 -14.560) 15.531 11.395 ( -2.471 -0.499 11.207) 11.487 11.643 ( 11.237 -11.078 9.732) 18.540 14.822 ( -5.646 -3.141 4.085) 7.644 15.033 ( -6.531 0.032 6.666) 9.332 15.960 ( -3.563 0.519 6.095) 7.080 16.740 ( 3.457 7.534 -13.385) 15.744 ======================= Grid point 347 (176/230) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.185 2.133 8.233) 8.507 1.131 ( -0.703 3.342 8.517) 9.176 1.367 ( 1.621 2.398 -3.167) 4.290 1.425 ( -0.714 2.752 -6.694) 7.273 1.494 ( 1.794 -0.236 -1.356) 2.261 1.626 ( -4.510 -1.844 -0.502) 4.898 1.945 ( 2.861 -3.513 0.054) 4.531 2.199 ( 1.994 1.312 2.135) 3.202 2.312 ( -0.490 0.078 -2.796) 2.840 2.415 ( -3.469 -0.402 0.155) 3.496 3.516 ( -4.731 2.954 9.458) 10.980 3.955 ( 5.684 0.977 -8.542) 10.306 4.353 ( -7.911 3.663 8.696) 12.314 4.556 ( -0.643 2.997 -0.734) 3.152 6.627 ( -7.890 7.033 14.676) 18.086 7.098 ( 8.240 6.413 -10.107) 14.532 9.637 ( -0.917 0.422 -2.717) 2.898 10.162 ( -5.109 -3.818 -17.753) 18.864 11.486 ( -2.771 -0.840 15.704) 15.969 12.057 ( 16.229 -14.880 0.830) 22.034 14.807 ( -6.122 -1.724 3.891) 7.456 14.964 ( -8.597 1.627 3.122) 9.290 15.939 ( -8.607 1.451 9.545) 12.934 16.557 ( 5.642 9.675 -15.590) 19.196 ======================= Grid point 348 (177/230) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -2.732 2.271 7.169) 8.001 1.131 ( 3.132 4.353 0.419) 5.378 1.337 ( 2.235 1.173 -4.618) 5.263 1.342 ( -1.600 1.346 -1.824) 2.775 1.530 ( 2.201 -0.276 1.334) 2.589 1.581 ( -3.507 -1.342 -0.763) 3.831 2.051 ( 4.306 -3.504 1.462) 5.741 2.172 ( -1.015 0.660 -5.041) 5.185 2.311 ( -0.470 -0.517 2.908) 2.991 2.384 ( -2.156 0.402 0.554) 2.262 3.511 ( -3.688 2.103 9.648) 10.541 3.940 ( 6.071 1.619 -9.209) 11.148 4.281 ( -8.091 2.812 9.498) 12.790 4.541 ( 3.901 2.150 -0.970) 4.559 6.560 ( -8.613 6.376 14.453) 17.993 7.045 ( 8.367 4.877 -11.213) 14.816 9.631 ( 0.701 -0.239 1.852) 1.995 9.975 ( -6.911 -2.870 -14.733) 16.525 11.610 ( -3.953 -1.484 19.005) 19.469 12.360 ( 10.379 -12.345 -13.822) 21.241 14.772 ( -6.901 0.359 6.744) 9.656 14.840 ( -7.577 2.869 2.072) 8.363 15.849 ( -13.320 3.573 11.175) 17.750 16.442 ( 12.117 6.402 -14.341) 19.836 ======================= Grid point 351 (178/230) ======================= q-point: ( 0.22 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 3.569 -0.000 2.050) 4.116 1.157 ( -2.770 0.000 6.923) 7.457 1.339 ( 0.202 -0.000 -6.521) 6.525 1.425 ( 1.380 -0.000 -0.751) 1.571 1.475 ( 1.445 -0.000 -3.101) 3.421 1.693 ( 0.357 -0.000 4.602) 4.616 1.943 ( -2.231 0.000 -1.946) 2.961 2.138 ( 1.957 -0.000 4.302) 4.726 2.245 ( -4.270 0.000 -2.607) 5.003 2.578 ( 4.735 -0.000 1.412) 4.941 3.664 ( -4.192 0.000 6.422) 7.669 3.917 ( 8.182 -0.000 -12.584) 15.010 4.503 ( 4.553 -0.000 8.013) 9.216 4.707 ( 2.885 -0.000 -4.683) 5.500 6.535 ( -5.479 0.000 14.596) 15.591 7.106 ( 13.188 -0.000 -13.193) 18.654 9.570 ( -5.575 0.000 13.835) 14.916 10.126 ( 2.866 -0.000 11.091) 11.455 11.527 ( -12.601 0.000 0.229) 12.603 11.638 ( -6.704 0.000 -14.174) 15.679 14.770 ( -11.085 0.000 13.765) 17.674 14.953 ( 0.441 -0.000 11.277) 11.285 15.775 ( 2.761 -0.000 3.889) 4.770 16.792 ( 11.670 -0.000 -5.207) 12.779 ======================= Grid point 352 (179/230) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 3.968 4.100 2.029) 6.055 1.179 ( -4.952 1.435 8.257) 9.734 1.291 ( 2.412 -1.188 -4.950) 5.633 1.435 ( 0.299 -1.929 -1.773) 2.638 1.475 ( 2.838 0.636 -2.764) 4.013 1.739 ( -0.556 -0.539 3.253) 3.344 1.925 ( 0.080 -0.780 1.646) 1.823 2.112 ( -7.251 -0.019 -2.452) 7.654 2.239 ( 3.510 0.526 2.989) 4.640 2.631 ( 3.140 0.498 -1.484) 3.509 3.653 ( -5.044 0.829 6.791) 8.500 3.923 ( 8.101 -0.528 -11.952) 14.448 4.586 ( 1.442 3.659 5.325) 6.620 4.714 ( 0.644 -2.688 -2.279) 3.582 6.618 ( -2.843 -0.525 15.594) 15.859 7.178 ( 13.815 0.387 -11.835) 18.196 9.655 ( -2.003 -0.865 15.422) 15.576 10.214 ( -0.526 0.033 4.355) 4.387 11.382 ( -8.181 -0.070 0.715) 8.213 11.447 ( -6.053 -0.237 -9.423) 11.202 14.747 ( -11.014 -1.139 13.810) 17.701 15.037 ( -1.021 1.655 10.862) 11.034 15.858 ( 3.039 -1.288 3.468) 4.788 16.886 ( 9.566 0.594 -5.758) 11.181 ======================= Grid point 353 (180/230) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 2.126 6.581 1.120) 7.006 1.146 ( -4.038 3.442 8.560) 10.071 1.352 ( 4.174 -3.207 -1.652) 5.517 1.458 ( 1.611 -1.959 -1.421) 2.907 1.481 ( 1.033 0.001 -1.217) 1.596 1.736 ( 0.043 0.683 -1.645) 1.782 1.972 ( -6.718 0.310 -2.757) 7.268 1.999 ( 0.464 -2.704 4.172) 4.994 2.304 ( 3.092 0.990 3.132) 4.510 2.614 ( -0.304 1.085 -4.876) 5.004 3.633 ( -4.989 1.855 7.999) 9.608 3.938 ( 7.827 -0.506 -10.522) 13.124 4.568 ( -1.297 4.437 3.346) 5.707 4.724 ( -2.556 -1.321 0.606) 2.941 6.725 ( -2.056 1.313 16.306) 16.488 7.249 ( 13.093 2.416 -10.000) 16.651 9.765 ( -0.225 -0.307 7.506) 7.516 10.198 ( -2.633 -2.899 -4.477) 5.948 11.333 ( -4.016 -1.064 2.124) 4.666 11.346 ( -3.687 -1.242 4.025) 5.598 14.745 ( -9.218 -1.810 12.522) 15.654 15.077 ( -2.576 2.439 9.453) 10.097 15.936 ( 1.744 -0.537 4.174) 4.555 16.924 ( 7.390 1.975 -8.531) 11.458 ======================= Grid point 354 (181/230) ======================= q-point: (-0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 1.629 5.469 3.951) 6.940 1.149 ( -2.004 2.690 9.541) 10.114 1.410 ( 3.351 -1.649 -3.903) 5.403 1.464 ( -0.114 1.953 0.976) 2.186 1.507 ( 0.949 -3.130 -1.432) 3.570 1.701 ( -0.056 2.265 -4.315) 4.874 1.855 ( -4.286 -1.919 -3.528) 5.874 2.102 ( 1.838 -2.248 5.994) 6.660 2.350 ( 2.471 1.311 1.641) 3.243 2.516 ( -3.980 1.181 -6.876) 8.032 3.614 ( -4.775 2.821 9.109) 10.665 3.960 ( 7.473 -0.046 -9.000) 11.698 4.518 ( -3.469 4.449 5.106) 7.610 4.686 ( -3.636 1.067 0.592) 3.835 6.800 ( -3.346 4.466 16.394) 17.318 7.288 ( 11.197 5.175 -8.525) 14.994 9.744 ( -2.128 1.888 -4.557) 5.372 10.157 ( -2.775 -6.446 -11.732) 13.671 11.379 ( -1.930 -1.405 11.035) 11.290 11.426 ( 1.591 -5.717 10.981) 12.482 14.760 ( -6.862 -1.618 10.639) 12.763 15.075 ( -4.301 2.510 7.296) 8.834 15.987 ( -0.258 1.187 6.012) 6.134 16.881 ( 5.409 4.234 -12.354) 14.135 ======================= Grid point 355 (182/230) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.871 4.153 7.135) 8.302 1.186 ( -0.554 1.558 8.179) 8.344 1.405 ( -0.449 0.684 -2.233) 2.378 1.465 ( 1.193 0.068 -0.342) 1.243 1.514 ( 2.007 0.352 -6.312) 6.633 1.599 ( -4.658 1.571 -2.338) 5.444 1.867 ( 2.924 -3.297 -1.017) 4.522 2.200 ( 2.228 -0.974 5.343) 5.870 2.330 ( -2.360 1.339 -7.060) 7.564 2.410 ( -2.271 0.040 -0.285) 2.290 3.595 ( -4.748 3.318 9.593) 11.206 3.979 ( 7.180 0.813 -8.320) 11.020 4.453 ( -6.757 4.437 7.700) 11.165 4.631 ( -0.403 2.904 -0.265) 2.944 6.810 ( -5.292 7.470 15.806) 18.266 7.271 ( 8.718 7.395 -8.405) 14.190 9.647 ( -1.271 0.547 -6.158) 6.312 10.048 ( -5.475 -5.484 -16.233) 17.988 11.469 ( -3.095 -0.560 14.810) 15.140 11.710 ( 7.462 -12.537 9.697) 17.518 14.781 ( -4.913 -0.310 9.532) 10.728 15.023 ( -6.223 2.893 4.462) 8.186 16.003 ( -3.324 3.173 8.878) 9.996 16.757 ( 4.887 6.688 -15.610) 17.672 ======================= Grid point 356 (183/230) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -2.154 3.516 8.033) 9.029 1.224 ( -0.174 2.486 6.053) 6.546 1.365 ( -1.046 0.821 -2.205) 2.575 1.407 ( 2.342 3.903 -8.736) 9.851 1.518 ( 0.888 -0.508 0.513) 1.145 1.536 ( -2.059 -1.894 -1.286) 3.079 1.971 ( 5.397 -3.059 2.322) 6.624 2.175 ( -4.979 -0.030 -8.114) 9.520 2.295 ( 1.409 -0.845 3.934) 4.263 2.395 ( -0.811 0.502 -0.121) 0.961 3.577 ( -4.500 3.074 9.476) 10.931 3.984 ( 7.135 1.800 -8.791) 11.465 4.369 ( -8.281 4.178 8.848) 12.819 4.611 ( 3.706 3.443 -0.553) 5.089 6.758 ( -7.140 9.227 14.734) 18.793 7.204 ( 7.118 7.789 -9.561) 14.239 9.614 ( 0.970 -1.151 -1.388) 2.048 9.884 ( -7.124 -4.410 -14.117) 16.416 11.570 ( -4.185 -1.566 16.537) 17.130 12.017 ( 6.067 -14.310 -1.062) 15.579 14.800 ( -3.943 1.763 10.219) 11.094 14.920 ( -6.908 3.554 1.991) 8.020 15.966 ( -7.780 5.660 11.277) 14.824 16.612 ( 8.000 6.877 -16.364) 19.470 ======================= Grid point 357 (184/230) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -5.634 3.101 5.658) 8.566 1.221 ( 1.989 3.804 0.420) 4.313 1.320 ( -1.312 0.902 -1.218) 2.005 1.367 ( 5.311 2.101 -3.992) 6.969 1.494 ( -4.058 -2.523 0.215) 4.783 1.590 ( 4.046 -0.305 1.215) 4.236 2.052 ( -4.778 -2.224 -6.654) 8.488 2.101 ( 4.921 -1.916 1.922) 5.620 2.329 ( -1.842 0.048 2.126) 2.813 2.385 ( 1.226 0.476 0.461) 1.394 3.573 ( -3.300 1.885 8.870) 9.650 3.973 ( 7.228 2.460 -9.931) 12.527 4.301 ( -6.319 3.074 8.918) 11.354 4.632 ( 6.028 3.005 -1.146) 6.832 6.664 ( -8.564 8.851 13.652) 18.387 7.123 ( 7.426 6.213 -11.097) 14.727 9.674 ( 2.719 -1.607 4.915) 5.842 9.732 ( -7.692 -3.444 -8.180) 11.745 11.674 ( -6.384 -2.741 16.405) 17.815 12.155 ( -0.229 -10.887 -12.274) 16.408 14.791 ( -6.454 2.794 6.960) 9.894 14.833 ( -2.441 3.446 6.786) 7.992 15.862 ( -9.206 7.288 10.476) 15.736 16.547 ( 11.831 4.278 -13.286) 18.298 ======================= Grid point 361 (185/230) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 2.657 -0.000 -1.568) 3.085 1.207 ( -5.683 0.000 9.967) 11.474 1.294 ( 6.440 -0.000 -2.130) 6.783 1.411 ( -0.167 0.000 -0.816) 0.833 1.490 ( 5.226 -0.000 -6.475) 8.321 1.751 ( -2.906 0.000 3.706) 4.710 1.955 ( 1.727 -0.000 4.616) 4.928 1.979 ( -8.312 0.000 -3.388) 8.976 2.317 ( 3.485 -0.000 2.708) 4.413 2.627 ( -0.005 0.000 -5.251) 5.251 3.657 ( -4.764 0.000 8.177) 9.463 3.931 ( 8.347 -0.000 -10.734) 13.597 4.662 ( -3.300 0.000 6.643) 7.417 4.670 ( 0.614 -0.000 -2.857) 2.923 6.741 ( -0.512 0.000 17.005) 17.012 7.279 ( 14.391 -0.000 -9.801) 17.411 9.758 ( -0.254 0.000 11.092) 11.095 10.164 ( -4.365 0.000 -7.206) 8.426 11.316 ( -4.933 0.000 -1.961) 5.308 11.335 ( -3.869 0.000 7.371) 8.325 14.725 ( -9.812 0.000 14.689) 17.665 15.111 ( -2.522 0.000 8.848) 9.201 15.928 ( 3.030 -0.000 4.456) 5.389 16.947 ( 7.740 -0.000 -8.003) 11.134 ======================= Grid point 362 (186/230) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 1.545 3.031 -1.336) 3.655 1.205 ( -4.324 1.279 8.491) 9.614 1.384 ( 4.160 0.339 -0.891) 4.268 1.431 ( 2.763 -2.886 0.308) 4.007 1.504 ( 5.041 0.974 -5.527) 7.544 1.723 ( -2.716 -0.207 0.336) 2.745 1.838 ( -7.749 0.320 -3.110) 8.356 2.049 ( 2.824 -1.586 6.641) 7.389 2.374 ( 2.547 0.592 1.653) 3.094 2.538 ( -3.717 0.519 -8.400) 9.200 3.665 ( -4.414 1.178 9.156) 10.233 3.957 ( 8.229 -0.084 -9.076) 12.251 4.618 ( -3.787 3.490 4.479) 6.825 4.683 ( -1.752 -1.313 0.982) 2.399 6.877 ( -1.198 1.688 17.602) 17.723 7.378 ( 12.983 2.007 -7.888) 15.324 9.792 ( -1.827 1.709 -0.909) 2.662 10.022 ( -4.356 -3.803 -13.489) 14.676 11.308 ( -1.465 -1.964 8.570) 8.913 11.388 ( -2.418 -0.174 12.549) 12.781 14.740 ( -7.054 -0.269 14.124) 15.790 15.125 ( -4.090 1.265 6.448) 7.740 16.007 ( 1.815 0.415 6.283) 6.553 16.948 ( 5.989 1.342 -11.333) 12.888 ======================= Grid point 363 (187/230) ======================= q-point: (-0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 1.303 2.921 2.930) 4.337 1.217 ( -1.944 0.852 6.967) 7.284 1.393 ( -0.116 -1.362 -2.911) 3.216 1.486 ( -1.385 1.401 -0.660) 2.078 1.500 ( 5.208 0.414 -2.661) 5.863 1.675 ( -3.656 2.817 -3.549) 5.822 1.778 ( 1.700 -3.830 0.225) 4.196 2.167 ( 2.928 -1.464 6.520) 7.296 2.366 ( -4.455 1.354 -8.843) 9.994 2.413 ( -0.694 0.073 -0.886) 1.128 3.665 ( -4.614 2.251 9.292) 10.616 3.992 ( 7.902 0.276 -7.932) 11.200 4.553 ( -7.388 3.438 7.164) 10.850 4.683 ( 1.487 1.259 -0.098) 1.951 6.962 ( -3.475 4.630 17.264) 18.209 7.427 ( 9.876 4.917 -7.140) 13.141 9.675 ( -2.811 1.995 -8.378) 9.059 9.907 ( -4.547 -5.843 -14.861) 16.603 11.451 ( -0.943 -1.956 14.096) 14.262 11.492 ( 0.541 -4.315 13.664) 14.340 14.785 ( -3.927 0.375 12.953) 13.540 15.086 ( -5.535 2.015 4.012) 7.127 16.070 ( -0.093 2.082 8.645) 8.893 16.877 ( 4.547 3.226 -14.562) 15.593 ======================= Grid point 364 (188/230) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -2.004 2.951 6.487) 7.403 1.255 ( 0.355 0.435 5.727) 5.755 1.365 ( -2.316 -0.800 -1.962) 3.139 1.446 ( -0.248 -1.053 -4.754) 4.876 1.521 ( -0.022 1.658 -0.449) 1.718 1.560 ( 0.965 3.301 -4.281) 5.491 1.899 ( 5.978 -3.022 3.421) 7.521 2.178 ( -7.398 0.197 -10.031) 12.465 2.271 ( 2.570 -1.046 4.794) 5.540 2.407 ( -0.072 0.443 -0.917) 1.021 3.649 ( -4.990 2.726 8.848) 10.518 4.019 ( 7.543 1.004 -7.998) 11.040 4.467 ( -8.742 3.609 8.196) 12.515 4.694 ( 4.198 3.052 -0.302) 5.199 6.969 ( -5.904 7.631 15.773) 18.490 7.394 ( 6.406 7.323 -8.057) 12.632 9.582 ( -0.920 -1.157 -4.563) 4.796 9.774 ( -5.357 -4.537 -13.626) 15.328 11.541 ( -4.271 -0.802 14.090) 14.745 11.725 ( 3.351 -9.325 8.345) 12.955 14.846 ( -1.750 1.798 12.176) 12.432 15.000 ( -6.446 2.834 1.858) 7.282 16.097 ( -3.055 4.749 11.077) 12.433 16.751 ( 4.795 4.444 -16.471) 17.721 ======================= Grid point 365 (189/230) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -7.340 3.094 6.681) 10.396 1.294 ( -1.421 1.293 4.707) 5.084 1.334 ( -1.138 0.153 -0.102) 1.153 1.422 ( 5.350 0.292 -8.471) 10.023 1.447 ( -3.080 0.789 -0.973) 3.325 1.585 ( 4.377 0.578 1.001) 4.527 2.005 ( -6.668 -1.552 -8.260) 10.729 2.052 ( 6.117 -2.055 4.741) 8.007 2.332 ( -0.415 0.038 1.943) 1.987 2.391 ( 1.038 0.050 -1.255) 1.629 3.625 ( -4.798 2.309 8.083) 9.679 4.027 ( 7.246 1.824 -9.136) 11.802 4.384 ( -7.675 3.471 8.403) 11.898 4.716 ( 5.667 3.618 -0.699) 6.760 6.896 ( -8.271 9.584 13.386) 18.424 7.297 ( 4.808 7.630 -9.619) 13.186 9.593 ( -3.208 -4.620 1.078) 5.727 9.666 ( -0.686 -2.102 -6.368) 6.741 11.611 ( -5.738 -2.267 12.664) 14.087 11.901 ( 0.378 -9.283 -1.328) 9.385 14.870 ( -5.991 3.460 5.179) 8.642 14.919 ( -1.400 3.359 7.898) 8.696 16.054 ( -6.559 8.021 11.157) 15.226 16.644 ( 7.828 3.364 -14.840) 17.112 ======================= Grid point 366 (190/230) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -8.632 2.100 4.458) 9.940 1.261 ( -3.381 2.047 1.723) 4.311 1.324 ( 1.309 1.093 -0.890) 1.923 1.413 ( -3.251 -2.058 0.667) 3.905 1.449 ( 6.420 1.742 -2.597) 7.141 1.656 ( 4.389 -0.215 0.948) 4.496 1.901 ( -3.666 -3.086 -4.989) 6.917 2.176 ( 3.789 0.292 3.119) 4.916 2.299 ( -3.080 -0.354 -0.525) 3.145 2.420 ( 2.730 -0.187 0.353) 2.759 3.614 ( -3.687 0.906 7.128) 8.076 4.009 ( 6.841 2.418 -10.531) 12.788 4.336 ( -4.529 2.241 8.105) 9.551 4.743 ( 5.894 3.353 -1.549) 6.955 6.764 ( -9.869 9.259 11.652) 17.857 7.190 ( 5.732 5.957 -11.195) 13.916 9.557 ( -6.519 -3.010 1.199) 7.280 9.757 ( 4.666 -2.679 7.695) 9.390 11.653 ( -8.059 -3.334 9.471) 12.875 11.925 ( -3.539 -6.370 -9.527) 11.995 14.788 ( -4.151 2.204 3.447) 5.828 14.937 ( -3.052 4.774 11.371) 12.704 15.942 ( -6.215 8.733 8.222) 13.509 16.629 ( 10.338 1.671 -10.155) 14.588 ======================= Grid point 371 (191/230) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 1.619 -0.000 -0.316) 1.650 1.225 ( -2.465 0.000 6.595) 7.041 1.371 ( -1.278 0.000 -2.230) 2.571 1.491 ( 1.300 -0.000 -0.651) 1.454 1.542 ( 6.238 -0.000 -5.133) 8.078 1.688 ( -0.693 0.000 1.376) 1.541 1.733 ( -4.202 0.000 -0.525) 4.235 2.146 ( 3.607 -0.000 6.796) 7.693 2.385 ( -6.742 0.000 -10.624) 12.583 2.412 ( 1.430 -0.000 0.075) 1.432 3.694 ( -4.532 0.000 9.082) 10.150 3.994 ( 8.094 -0.000 -7.722) 11.187 4.599 ( -9.041 0.000 7.246) 11.586 4.696 ( 3.595 -0.000 -0.296) 3.607 7.019 ( -2.866 0.000 18.004) 18.230 7.489 ( 10.525 -0.000 -6.716) 12.486 9.728 ( -5.007 0.000 -6.899) 8.525 9.804 ( -2.547 0.000 -16.526) 16.722 11.401 ( 1.442 -0.000 14.372) 14.445 11.469 ( -3.193 0.000 13.874) 14.237 14.791 ( -3.699 0.000 14.015) 14.494 15.112 ( -5.479 0.000 3.700) 6.611 16.096 ( 1.055 -0.000 8.658) 8.722 16.915 ( 4.416 -0.000 -14.046) 14.724 ======================= Grid point 372 (192/230) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -0.063 1.071 3.309) 3.478 1.255 ( -0.599 -0.199 3.806) 3.858 1.340 ( -0.448 -0.825 -2.409) 2.586 1.434 ( -4.419 0.077 -2.204) 4.939 1.573 ( 3.878 2.030 -1.251) 4.553 1.620 ( -2.515 1.051 -3.885) 4.746 1.832 ( 6.751 -1.968 5.974) 9.227 2.182 ( -8.480 0.114 -11.243) 14.083 2.251 ( 3.162 -0.525 5.428) 6.303 2.416 ( 0.276 0.212 -1.630) 1.667 3.698 ( -5.159 1.113 8.217) 9.766 4.034 ( 7.587 0.276 -7.292) 10.527 4.530 ( -9.364 1.419 7.756) 12.242 4.747 ( 5.017 1.179 -0.162) 5.156 7.102 ( -5.428 2.944 17.017) 18.103 7.526 ( 6.399 3.021 -7.245) 10.128 9.574 ( -5.293 0.434 -6.710) 8.557 9.678 ( -1.108 -2.904 -13.311) 13.669 11.532 ( -4.074 0.016 12.582) 13.225 11.574 ( 1.950 -3.281 12.504) 13.074 14.878 ( -0.579 0.724 12.921) 12.954 15.049 ( -6.261 1.049 1.724) 6.578 16.179 ( -0.142 1.805 10.864) 11.013 16.822 ( 2.983 1.476 -16.014) 16.356 ======================= Grid point 373 (193/230) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -6.033 2.698 5.695) 8.724 1.264 ( -2.385 -2.556 -0.906) 3.611 1.351 ( 0.921 0.826 3.800) 3.997 1.387 ( 0.085 -1.325 -3.227) 3.489 1.516 ( -0.308 2.897 -4.304) 5.197 1.620 ( 3.496 1.586 0.596) 3.885 1.977 ( -7.441 -0.778 -8.904) 11.630 2.003 ( 5.748 -1.854 6.293) 8.723 2.329 ( 1.741 -0.244 2.749) 3.264 2.392 ( 0.062 0.057 -2.867) 2.869 3.675 ( -5.623 1.604 7.139) 9.228 4.059 ( 6.967 0.832 -8.095) 10.713 4.455 ( -8.621 2.211 8.066) 12.011 4.793 ( 5.608 2.491 -0.717) 6.178 7.092 ( -8.265 6.075 14.049) 17.395 7.462 ( 2.725 5.398 -8.950) 10.802 9.490 ( -5.639 -3.320 0.105) 6.545 9.618 ( 2.469 -1.738 -7.220) 7.826 11.570 ( -5.409 -1.068 9.654) 11.117 11.728 ( 0.640 -4.876 5.649) 7.489 14.946 ( -5.257 2.595 3.556) 6.857 14.982 ( 0.115 1.716 8.855) 9.020 16.223 ( -2.558 5.459 11.846) 13.291 16.700 ( 3.537 1.305 -15.973) 16.412 ======================= Grid point 374 (194/230) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -9.982 3.424 5.173) 11.753 1.252 ( -4.816 -2.612 2.215) 5.910 1.361 ( -1.720 1.748 0.576) 2.519 1.389 ( 0.650 -0.659 -1.882) 2.097 1.481 ( 5.674 1.363 -3.856) 6.995 1.657 ( 2.326 0.680 2.501) 3.482 1.850 ( -2.897 -1.373 -5.344) 6.232 2.154 ( 3.606 -1.708 6.759) 7.849 2.314 ( -1.789 1.264 -2.511) 3.332 2.407 ( 2.709 -0.902 -0.594) 2.916 3.640 ( -5.379 1.143 6.161) 8.258 4.057 ( 6.377 1.467 -9.637) 11.649 4.393 ( -6.741 2.246 8.020) 10.715 4.822 ( 5.109 3.020 -1.467) 6.113 6.981 ( -11.015 8.005 10.451) 17.165 7.335 ( 1.694 5.483 -10.466) 11.936 9.486 ( -4.282 -2.691 5.065) 7.157 9.681 ( 4.840 -3.321 3.366) 6.766 11.581 ( -6.410 -2.395 6.044) 9.130 11.790 ( -2.128 -4.484 -2.389) 5.509 14.852 ( -4.986 2.826 1.960) 6.057 15.049 ( 0.395 4.012 9.954) 10.739 16.163 ( -5.694 9.222 7.913) 13.419 16.645 ( 6.691 -0.588 -10.593) 12.543 ======================= Grid point 375 (195/230) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -9.480 2.045 4.756) 10.802 1.208 ( -8.168 -0.827 2.306) 8.528 1.332 ( -1.477 -1.112 1.419) 2.331 1.382 ( 1.001 0.671 -1.416) 1.859 1.527 ( 5.097 1.040 -1.899) 5.538 1.709 ( 2.938 -0.592 0.620) 3.060 1.836 ( 1.927 -0.838 -0.098) 2.103 2.229 ( -3.157 -2.360 0.065) 3.942 2.251 ( -0.122 3.005 0.750) 3.099 2.461 ( 4.192 -1.080 0.316) 4.340 3.617 ( -4.656 -0.182 5.419) 7.147 4.027 ( 5.789 1.979 -10.916) 12.514 4.370 ( -3.561 0.941 7.446) 8.307 4.830 ( 3.407 2.755 -2.043) 4.834 6.812 ( -11.991 7.407 9.372) 16.926 7.212 ( 3.405 3.687 -11.922) 12.935 9.526 ( -1.877 -0.174 9.410) 9.597 9.864 ( 5.146 -4.175 10.839) 12.704 11.556 ( -7.577 -2.814 2.097) 8.350 11.741 ( -4.393 -2.765 -8.252) 9.749 14.799 ( -2.497 1.580 4.010) 4.982 15.054 ( -3.200 6.317 9.634) 11.956 16.027 ( -5.054 8.203 4.295) 10.549 16.689 ( 8.437 -0.829 -5.979) 10.374 ======================= Grid point 381 (196/230) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -4.190 0.000 5.927) 7.258 1.220 ( -2.018 0.000 -4.444) 4.880 1.366 ( 1.980 -0.000 3.730) 4.223 1.368 ( -1.980 0.000 -1.427) 2.441 1.557 ( -0.851 0.000 -4.551) 4.630 1.640 ( 2.857 -0.000 1.551) 3.251 1.968 ( -8.377 0.000 -10.303) 13.279 1.977 ( 6.127 -0.000 8.152) 10.198 2.325 ( 2.566 -0.000 3.112) 4.033 2.393 ( -0.268 0.000 -3.527) 3.537 3.695 ( -5.865 0.000 6.688) 8.895 4.068 ( 6.815 -0.000 -7.605) 10.212 4.483 ( -8.943 0.000 7.950) 11.966 4.825 ( 5.692 -0.000 -0.793) 5.747 7.169 ( -8.376 0.000 14.604) 16.835 7.531 ( 1.941 -0.000 -8.825) 9.035 9.448 ( -6.323 0.000 -0.257) 6.328 9.594 ( 3.401 -0.000 -7.686) 8.405 11.558 ( -5.359 0.000 8.410) 9.972 11.669 ( 0.711 -0.000 8.058) 8.089 14.982 ( -6.080 0.000 0.894) 6.146 15.000 ( 2.020 -0.000 11.206) 11.386 16.293 ( -0.019 0.000 12.411) 12.411 16.714 ( 1.192 -0.000 -16.701) 16.743 ======================= Grid point 382 (197/230) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -8.746 3.346 5.889) 11.062 1.176 ( -2.980 -3.117 -1.791) 4.670 1.365 ( 1.756 -0.779 -1.140) 2.234 1.392 ( -3.352 0.626 1.785) 3.849 1.521 ( 3.445 1.289 -4.985) 6.195 1.677 ( -0.224 0.595 3.895) 3.946 1.826 ( -1.398 -0.594 -5.048) 5.271 2.116 ( 2.431 -1.021 7.712) 8.150 2.347 ( 0.358 1.340 -2.555) 2.908 2.380 ( 1.972 -1.220 -0.864) 2.475 3.662 ( -6.213 0.517 5.352) 8.216 4.080 ( 5.984 0.471 -8.818) 10.667 4.434 ( -7.784 0.935 8.073) 11.253 4.877 ( 4.691 1.263 -1.776) 5.172 7.122 ( -11.893 3.183 10.254) 16.022 7.432 ( -1.164 2.217 -10.643) 10.934 9.438 ( -2.255 -1.084 9.437) 9.763 9.617 ( 4.352 -1.610 -1.184) 4.789 11.542 ( -5.628 -0.831 3.963) 6.933 11.716 ( -1.600 -1.553 1.534) 2.706 14.907 ( -5.069 1.348 1.510) 5.458 15.116 ( 3.042 1.415 8.567) 9.201 16.363 ( -1.619 6.268 10.093) 11.991 16.598 ( 1.975 -2.789 -13.541) 13.966 ======================= Grid point 383 (198/230) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -9.886 4.680 5.547) 12.264 1.164 ( -6.317 -2.878 2.211) 7.285 1.299 ( -7.195 -0.969 -0.496) 7.277 1.393 ( 2.720 -0.361 -1.756) 3.258 1.538 ( 5.939 0.463 -3.876) 7.107 1.709 ( 0.284 0.542 4.524) 4.565 1.838 ( 3.850 0.432 1.043) 4.012 2.171 ( -3.047 -2.099 1.079) 3.854 2.318 ( 0.455 2.586 -0.030) 2.626 2.427 ( 3.493 -1.770 -0.120) 3.918 3.617 ( -6.026 0.125 4.564) 7.560 4.063 ( 5.327 1.011 -10.221) 11.570 4.398 ( -6.036 1.088 7.987) 10.070 4.886 ( 2.217 1.781 -2.481) 3.774 6.967 ( -14.372 4.891 7.442) 16.908 7.285 ( -1.203 2.185 -11.869) 12.128 9.542 ( 2.019 1.606 12.171) 12.442 9.747 ( 5.024 -5.074 8.600) 11.178 11.500 ( -5.484 -1.647 0.320) 5.734 11.687 ( -3.624 -1.594 -4.434) 5.944 14.848 ( -3.455 2.043 3.152) 5.103 15.184 ( 1.956 3.858 5.983) 7.383 16.246 ( -4.443 9.679 -0.111) 10.650 16.634 ( 4.950 -4.001 -2.836) 6.968 ======================= Grid point 384 (199/230) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -8.848 3.569 6.303) 11.435 1.084 ( -10.831 -1.674 3.680) 11.560 1.293 ( -2.113 -3.931 3.608) 5.739 1.415 ( 3.860 0.985 -2.601) 4.758 1.577 ( 4.446 0.524 -2.996) 5.386 1.733 ( 0.194 0.166 1.062) 1.093 1.914 ( 5.238 1.257 3.925) 6.665 2.135 ( -4.235 -2.167 -2.381) 5.319 2.278 ( -1.762 2.382 -0.035) 2.963 2.507 ( 3.475 -1.724 1.550) 4.177 3.582 ( -5.723 -0.949 4.489) 7.335 4.024 ( 4.950 1.466 -10.875) 12.038 4.390 ( -3.921 -0.034 7.289) 8.277 4.853 ( -1.026 1.283 -2.536) 3.022 6.784 ( -13.940 4.017 8.406) 16.766 7.162 ( 1.872 0.457 -12.573) 12.720 9.642 ( 2.134 2.170 9.770) 10.233 10.001 ( 7.657 -3.675 14.534) 16.834 11.442 ( -5.151 -1.470 -1.356) 5.526 11.591 ( -4.375 -0.742 -7.486) 8.702 14.827 ( -1.700 1.257 4.854) 5.294 15.169 ( -1.632 7.117 4.893) 8.790 16.075 ( -4.435 7.330 0.109) 8.568 16.726 ( 5.795 -2.842 -3.176) 7.194 ======================= Grid point 391 (200/230) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -11.910 0.000 11.020) 16.226 1.094 ( -1.050 0.000 -4.126) 4.257 1.289 ( -10.431 0.000 -1.399) 10.524 1.383 ( 2.873 -0.000 -1.189) 3.109 1.548 ( 5.664 -0.000 -4.744) 7.388 1.718 ( -0.466 0.000 6.243) 6.260 1.844 ( 4.362 -0.000 1.906) 4.761 2.143 ( -3.065 0.000 1.058) 3.243 2.373 ( 0.381 -0.000 -2.350) 2.381 2.382 ( 3.553 -0.000 2.038) 4.096 3.620 ( -6.497 0.000 4.151) 7.710 4.076 ( 5.132 -0.000 -9.865) 11.120 4.412 ( -6.822 0.000 8.247) 10.702 4.909 ( 1.729 -0.000 -2.813) 3.302 7.029 ( -15.431 0.000 6.829) 16.875 7.312 ( -3.056 0.000 -12.060) 12.442 9.585 ( 5.498 -0.000 19.307) 20.074 9.659 ( 3.101 -0.000 1.748) 3.559 11.480 ( -4.794 0.000 -0.303) 4.804 11.667 ( -3.409 0.000 -3.079) 4.594 14.876 ( -3.694 0.000 3.012) 4.767 15.230 ( 3.805 -0.000 4.488) 5.884 16.437 ( 0.315 -0.000 -15.773) 15.776 16.519 ( 0.273 -0.000 11.874) 11.877 ======================= Grid point 392 (201/230) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -10.268 5.308 9.166) 14.752 1.049 ( -10.058 -1.510 3.605) 10.791 1.189 ( -2.245 -3.763 -1.583) 4.659 1.416 ( 3.620 -0.344 -2.022) 4.161 1.584 ( 5.576 0.217 -4.424) 7.121 1.753 ( -2.669 0.802 6.780) 7.330 1.940 ( 5.728 0.625 4.266) 7.169 2.089 ( -3.795 -1.251 -2.902) 4.939 2.329 ( -1.038 1.517 -3.367) 3.836 2.466 ( 2.238 -1.347 4.082) 4.846 3.568 ( -6.443 -0.283 3.898) 7.536 4.048 ( 4.669 0.517 -10.536) 11.536 4.396 ( -6.058 0.279 8.350) 10.320 4.873 ( -2.466 0.435 -3.319) 4.158 6.854 ( -16.653 1.594 6.668) 18.009 7.167 ( -1.459 0.031 -12.644) 12.728 9.696 ( 1.594 1.773 4.518) 5.109 9.917 ( 12.531 -2.547 19.583) 23.388 11.417 ( -3.633 -0.570 -1.681) 4.044 11.578 ( -3.690 -0.284 -5.840) 6.914 14.861 ( -2.643 1.026 4.686) 5.477 15.286 ( 2.961 2.312 0.513) 3.791 16.269 ( -0.405 6.929 -10.138) 12.286 16.635 ( 0.753 -3.904 4.526) 6.024 ======================= Grid point 393 (202/230) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -8.375 5.270 9.002) 13.377 0.974 ( -9.371 -1.636 8.285) 12.615 1.250 ( 1.123 -5.469 0.871) 5.651 1.447 ( 3.795 -0.110 -3.367) 5.074 1.605 ( 3.402 0.186 -4.566) 5.697 1.744 ( -3.204 1.658 3.885) 5.302 2.030 ( -0.671 -0.268 -0.382) 0.817 2.046 ( 2.181 -0.059 2.478) 3.301 2.265 ( -1.330 1.071 -2.405) 2.949 2.530 ( 0.145 -1.518 2.340) 2.793 3.528 ( -6.235 -1.129 4.717) 7.900 4.009 ( 4.498 0.950 -10.258) 11.241 4.390 ( -5.608 -0.469 7.794) 9.613 4.786 ( -5.780 -0.442 -2.905) 6.483 6.693 ( -14.678 0.661 9.279) 17.377 7.072 ( 2.735 -1.598 -12.405) 12.803 9.725 ( -0.556 -0.059 2.923) 2.976 10.266 ( 14.885 1.064 11.385) 18.770 11.372 ( -2.798 -0.373 0.282) 2.837 11.500 ( -0.177 0.821 -3.102) 3.214 14.863 ( -2.027 0.929 5.497) 5.932 15.253 ( -0.104 5.779 -1.667) 6.015 16.100 ( -2.217 7.343 -3.631) 8.487 16.701 ( 0.501 -4.782 -3.203) 5.777 ======================= Grid point 401 (203/230) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -12.234 0.000 13.737) 18.395 0.954 ( -9.721 0.000 8.413) 12.856 1.145 ( 5.003 -0.000 -5.844) 7.693 1.442 ( 3.359 -0.000 -2.584) 4.238 1.608 ( 3.521 -0.000 -5.158) 6.245 1.771 ( -4.935 0.000 7.610) 9.070 2.012 ( -1.831 0.000 -3.099) 3.599 2.057 ( 4.386 -0.000 4.809) 6.509 2.281 ( -1.060 0.000 -5.124) 5.232 2.509 ( -0.609 0.000 4.346) 4.389 3.514 ( -6.455 0.000 4.403) 7.813 4.021 ( 4.408 -0.000 -10.227) 11.137 4.386 ( -6.995 0.000 8.870) 11.297 4.779 ( -6.724 0.000 -3.638) 7.645 6.701 ( -16.388 0.000 8.446) 18.436 7.051 ( 1.349 -0.000 -12.582) 12.654 9.723 ( -1.349 0.000 1.536) 2.044 10.280 ( 18.203 -0.000 11.604) 21.587 11.367 ( -2.244 0.000 0.278) 2.261 11.511 ( 1.326 -0.000 -2.226) 2.590 14.878 ( -2.772 0.000 5.793) 6.422 15.320 ( 2.462 -0.000 -4.621) 5.236 16.233 ( 4.649 -0.000 -13.981) 14.734 16.615 ( -6.508 0.000 3.903) 7.589 ======================= Grid point 402 (204/230) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -8.742 4.513 11.168) 14.884 0.946 ( -5.618 -1.502 11.385) 12.784 1.213 ( 5.114 -4.821 -3.176) 7.712 1.457 ( 2.422 -0.166 -3.312) 4.106 1.582 ( 0.155 -0.030 -6.319) 6.321 1.751 ( -4.778 1.271 4.942) 6.991 1.989 ( 0.757 0.251 -1.541) 1.735 2.116 ( -0.770 -0.032 2.753) 2.858 2.252 ( 2.475 -0.048 -1.597) 2.946 2.518 ( -2.622 -0.482 1.889) 3.267 3.478 ( -6.110 -0.797 5.923) 8.547 3.989 ( 4.100 0.438 -9.378) 10.244 4.365 ( -7.996 -0.526 8.872) 11.955 4.655 ( -7.538 -1.098 -2.917) 8.157 6.586 ( -13.784 -0.917 11.212) 17.792 6.996 ( 5.084 -1.656 -11.964) 13.105 9.704 ( -2.473 -0.625 -0.324) 2.572 10.488 ( 9.497 1.450 -7.825) 12.391 11.363 ( -1.776 0.016 5.029) 5.334 11.631 ( 15.848 2.490 6.621) 17.355 14.885 ( -3.400 0.400 5.717) 6.664 15.263 ( -0.474 3.020 -7.986) 8.552 16.141 ( 2.326 7.699 -7.579) 11.051 16.542 ( -9.504 -7.320 -3.351) 12.455 ======================= Grid point 411 (205/230) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -8.894 0.000 12.926) 15.690 0.963 ( -0.209 0.000 4.978) 4.983 1.241 ( 5.946 -0.000 -1.346) 6.096 1.445 ( -0.035 0.000 -3.792) 3.793 1.518 ( -0.856 0.000 -4.848) 4.923 1.721 ( -4.726 0.000 1.157) 4.866 2.027 ( 3.902 -0.000 0.278) 3.912 2.095 ( -2.449 0.000 1.534) 2.889 2.292 ( 2.802 -0.000 0.524) 2.850 2.483 ( -3.900 0.000 0.572) 3.942 3.453 ( -5.576 0.000 7.569) 9.402 3.964 ( 3.570 -0.000 -8.814) 9.510 4.322 ( -9.663 0.000 9.721) 13.707 4.539 ( -4.538 0.000 -2.216) 5.050 6.511 ( -11.874 0.000 13.049) 17.642 6.965 ( 7.214 -0.000 -11.609) 13.668 9.658 ( -2.536 0.000 -0.990) 2.723 10.430 ( 0.121 -0.000 -18.095) 18.096 11.410 ( -1.667 0.000 10.955) 11.081 12.022 ( 28.466 -0.000 3.457) 28.675 14.878 ( -4.941 0.000 5.023) 7.046 15.163 ( -4.636 0.000 -11.655) 12.543 16.215 ( 11.475 -0.000 -13.221) 17.506 16.238 ( -23.594 0.000 4.439) 24.008 ======================= Grid point 412 (206/230) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 7.068 -0.000 -5.140) 8.739 0.974 ( -7.068 0.000 5.140) 8.739 1.315 ( -1.220 0.000 0.133) 1.227 1.315 ( 1.220 -0.000 -0.133) 1.227 1.571 ( -1.948 0.000 -2.041) 2.821 1.571 ( 1.948 -0.000 2.041) 2.821 2.107 ( 0.498 -0.000 -0.717) 0.873 2.107 ( -0.498 0.000 0.717) 0.873 2.372 ( -0.540 0.000 -1.824) 1.902 2.372 ( 0.540 -0.000 1.824) 1.902 3.706 ( 5.321 -0.000 -11.606) 12.768 3.706 ( -5.321 0.000 11.606) 12.768 4.424 ( 7.237 -0.000 -7.420) 10.365 4.424 ( -7.237 0.000 7.420) 10.365 6.746 ( 8.339 -0.000 -12.398) 14.942 6.746 ( -8.339 0.000 12.398) 14.942 9.765 ( -2.555 0.000 -9.722) 10.052 9.765 ( 2.555 -0.000 9.722) 10.052 12.074 ( 6.753 -0.000 -23.605) 24.552 12.074 ( -6.753 0.000 23.605) 24.552 14.817 ( -1.630 0.000 -0.018) 1.630 14.817 ( 1.630 -0.000 0.018) 1.630 16.073 ( 18.264 -0.000 -14.847) 23.537 16.073 ( -18.264 0.000 14.847) 23.537 ======================= Grid point 414 (207/230) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -4.314 -0.793 2.211) 4.911 1.054 ( 7.038 -4.141 -3.904) 9.051 1.312 ( 0.394 0.823 1.022) 1.370 1.341 ( 1.665 -0.971 0.167) 1.935 1.522 ( -2.063 0.736 -2.168) 3.081 1.616 ( 2.422 -0.069 1.733) 2.979 2.052 ( -3.271 3.381 -0.899) 4.789 2.120 ( -0.816 -2.072 1.375) 2.617 2.351 ( -0.129 0.703 -1.788) 1.925 2.410 ( 2.468 0.059 1.840) 3.078 3.688 ( 6.195 -1.056 -11.756) 13.330 3.747 ( -3.510 -0.793 9.706) 10.352 4.413 ( -3.954 -0.716 6.160) 7.355 4.477 ( 8.740 -1.806 -7.392) 11.588 6.756 ( -3.315 -2.452 4.138) 5.842 6.774 ( 4.092 -3.541 -5.234) 7.528 9.670 ( -1.455 0.929 -4.248) 4.585 9.903 ( 3.415 1.047 13.719) 14.177 11.902 ( 1.079 1.658 -22.847) 22.933 12.093 ( -14.250 3.401 16.486) 22.055 14.829 ( 0.969 0.762 3.440) 3.654 14.884 ( 3.565 -2.582 3.064) 5.363 15.991 ( -14.963 -2.289 13.924) 20.567 16.222 ( 18.390 -2.480 -11.018) 21.581 ======================= Grid point 415 (208/230) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -2.085 0.003 -0.607) 2.171 1.173 ( 4.545 -5.949 -2.459) 7.880 1.299 ( -0.333 1.223 -2.387) 2.702 1.392 ( 2.033 -1.634 2.482) 3.600 1.469 ( -1.911 0.918 -0.724) 2.240 1.673 ( 3.106 -0.026 2.321) 3.878 1.955 ( -2.708 4.191 -0.163) 4.992 2.156 ( -0.525 -3.000 1.427) 3.364 2.314 ( -1.550 1.101 -1.872) 2.668 2.461 ( 3.557 0.711 1.687) 4.001 3.689 ( 6.008 -1.690 -10.777) 12.454 3.788 ( -2.864 -0.522 7.099) 7.673 4.437 ( -0.252 -0.292 3.882) 3.901 4.571 ( 8.421 -3.658 -5.412) 10.657 6.785 ( -2.143 -3.900 1.996) 4.877 6.840 ( 3.087 -5.398 -3.922) 7.352 9.636 ( 0.119 0.936 1.494) 1.767 10.063 ( 3.495 1.848 15.559) 16.054 11.700 ( -1.175 1.218 -18.004) 18.083 11.910 ( -17.384 5.474 4.861) 18.863 14.865 ( 1.385 2.015 4.183) 4.846 15.001 ( 2.319 -2.925 5.279) 6.465 15.965 ( -9.562 -3.397 9.639) 13.996 16.422 ( 14.901 -3.631 -4.248) 15.914 ======================= Grid point 416 (209/230) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.941 0.944 -1.546) 2.041 1.214 ( 1.771 -0.562 -9.551) 9.730 1.288 ( -1.568 -2.962 4.728) 5.795 1.438 ( -1.264 0.377 0.574) 1.438 1.472 ( 1.829 -2.179 3.074) 4.188 1.716 ( 1.817 1.696 0.101) 2.488 1.908 ( 0.817 1.870 2.921) 3.563 2.183 ( 0.075 -0.423 -2.123) 2.166 2.259 ( -3.508 -0.676 0.099) 3.574 2.518 ( 3.879 0.677 1.595) 4.248 3.700 ( 5.222 -1.760 -8.802) 10.385 3.802 ( -3.264 0.196 5.069) 6.032 4.471 ( 1.406 0.217 1.626) 2.161 4.684 ( 6.448 -3.541 -2.664) 7.824 6.823 ( -1.571 -3.687 1.499) 4.279 6.905 ( 2.142 -4.617 -3.504) 6.180 9.677 ( 2.030 -0.206 5.071) 5.466 10.206 ( 1.709 2.480 13.687) 14.015 11.535 ( -1.986 0.445 -12.274) 12.441 11.635 ( -13.068 4.526 -3.354) 14.231 14.885 ( 0.667 1.964 2.911) 3.574 15.090 ( 0.113 -1.471 4.913) 5.129 15.975 ( -4.412 -2.879 4.754) 7.096 16.609 ( 8.923 -2.738 0.357) 9.341 ======================= Grid point 417 (210/230) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -0.369 0.773 -0.876) 1.225 1.167 ( 0.260 -0.221 -3.762) 3.777 1.334 ( -0.621 -1.033 2.311) 2.606 1.428 ( -0.243 -0.213 -0.342) 0.470 1.537 ( 0.383 -1.401 2.525) 2.913 1.688 ( 0.098 1.837 -1.628) 2.456 1.979 ( 3.932 -0.806 4.991) 6.405 2.107 ( -3.420 1.722 -4.876) 6.200 2.258 ( -0.774 -1.103 0.822) 1.578 2.565 ( 1.766 0.188 0.757) 1.931 3.714 ( 2.639 -0.914 -4.129) 4.985 3.793 ( -2.040 0.360 2.526) 3.267 4.493 ( 0.747 0.159 0.380) 0.853 4.763 ( 2.487 -1.394 -0.721) 2.940 6.852 ( -0.634 -1.555 0.726) 1.830 6.941 ( 0.787 -1.756 -1.616) 2.513 9.756 ( 1.793 -0.699 3.153) 3.694 10.273 ( -0.390 1.670 5.623) 5.879 11.427 ( -1.746 0.366 -4.589) 4.923 11.451 ( -3.718 1.269 -2.970) 4.925 14.890 ( 0.136 0.799 1.013) 1.297 15.128 ( -0.317 -0.365 1.989) 2.047 15.990 ( -1.148 -1.101 1.292) 2.049 16.717 ( 2.820 -0.929 0.720) 3.055 ======================= Grid point 423 (211/230) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -2.215 0.000 4.289) 4.827 1.075 ( 7.787 -0.000 -6.941) 10.432 1.321 ( 0.108 -0.000 -4.977) 4.978 1.366 ( 2.052 -0.000 4.004) 4.499 1.483 ( -1.641 0.000 -1.956) 2.553 1.668 ( 2.212 -0.000 3.666) 4.282 2.031 ( -4.074 0.000 -0.597) 4.117 2.097 ( 0.398 -0.000 1.825) 1.868 2.328 ( -1.602 0.000 -2.440) 2.919 2.470 ( 3.672 -0.000 1.830) 4.103 3.668 ( 7.579 -0.000 -12.780) 14.858 3.782 ( -3.386 0.000 9.324) 9.919 4.443 ( 0.277 -0.000 7.022) 7.027 4.514 ( 9.132 -0.000 -8.847) 12.715 6.741 ( -7.258 0.000 11.436) 13.545 6.767 ( 10.083 -0.000 -12.682) 16.202 9.648 ( 0.040 -0.000 0.251) 0.254 10.085 ( 2.935 -0.000 15.995) 16.262 11.716 ( -1.552 0.000 -19.438) 19.499 11.981 ( -20.192 0.000 7.110) 21.408 14.919 ( 1.963 -0.000 1.845) 2.694 14.940 ( 2.844 -0.000 10.184) 10.574 15.921 ( -12.209 0.000 14.951) 19.302 16.374 ( 18.985 -0.000 -8.659) 20.867 ======================= Grid point 424 (212/230) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.911 2.929 2.112) 3.725 1.147 ( 6.956 -3.873 -6.557) 10.314 1.254 ( -1.201 -0.022 -6.409) 6.520 1.427 ( 0.696 -0.829 0.948) 1.439 1.454 ( -1.387 0.331 3.323) 3.616 1.735 ( 1.927 0.071 4.149) 4.575 1.963 ( -2.613 1.986 0.601) 3.336 2.148 ( 2.617 -1.537 1.369) 3.330 2.264 ( -4.060 0.421 -2.801) 4.950 2.532 ( 3.851 0.341 0.739) 3.936 3.668 ( 7.840 -0.759 -11.985) 14.342 3.808 ( -4.298 0.185 8.383) 9.423 4.506 ( 4.483 2.600 1.085) 5.295 4.591 ( 6.857 -3.917 -2.622) 8.321 6.761 ( -4.356 -1.267 9.501) 10.529 6.818 ( 9.827 -2.142 -9.758) 14.014 9.676 ( 1.593 0.002 3.361) 3.719 10.244 ( 0.598 0.737 14.360) 14.391 11.542 ( -2.405 0.124 -13.358) 13.573 11.719 ( -18.289 1.980 -1.422) 18.450 14.933 ( -0.336 1.448 2.057) 2.538 15.071 ( 1.073 -0.310 10.615) 10.673 15.920 ( -7.379 -1.354 12.487) 14.568 16.560 ( 14.920 -1.137 -4.283) 15.564 ======================= Grid point 425 (213/230) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 2.766 4.903 -0.331) 5.639 1.156 ( 3.517 -0.390 -9.482) 10.121 1.272 ( 1.931 -4.226 0.814) 4.717 1.412 ( -1.210 -0.588 -1.461) 1.986 1.498 ( -1.211 -1.177 5.143) 5.413 1.755 ( -0.283 2.779 1.166) 3.027 1.963 ( 1.322 -0.611 4.096) 4.347 2.146 ( -4.045 1.342 -5.165) 6.697 2.228 ( 1.447 -1.196 2.268) 2.944 2.571 ( 2.540 0.287 -1.144) 2.801 3.686 ( 7.566 -1.066 -10.140) 12.697 3.811 ( -5.071 0.777 8.406) 9.848 4.523 ( 4.104 2.168 -3.163) 5.617 4.712 ( 4.045 -2.669 2.198) 5.321 6.818 ( -1.474 -1.082 8.646) 8.837 6.899 ( 9.382 -1.507 -6.891) 11.738 9.740 ( 2.578 -0.574 2.829) 3.870 10.303 ( -4.373 0.819 5.827) 7.331 11.423 ( -2.287 -0.306 -6.245) 6.657 11.489 ( -8.768 1.352 -1.530) 9.003 14.916 ( -1.737 1.170 1.181) 2.405 15.149 ( -0.686 1.508 8.509) 8.668 15.961 ( -2.971 -1.062 8.842) 9.388 16.700 ( 8.503 -0.428 -2.832) 8.972 ======================= Grid point 426 (214/230) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 3.235 4.507 -0.834) 5.610 1.163 ( 4.347 -0.414 -2.532) 5.047 1.339 ( 0.350 -0.958 1.912) 2.167 1.400 ( 1.266 -2.159 -4.308) 4.982 1.525 ( -2.208 -1.835 2.020) 3.510 1.712 ( -1.036 3.330 1.354) 3.741 2.006 ( -5.398 1.321 -4.261) 7.003 2.061 ( 2.212 -2.189 4.209) 5.234 2.277 ( 2.677 0.480 0.761) 2.824 2.564 ( -0.647 0.100 -3.136) 3.204 3.715 ( 6.235 -0.631 -7.103) 9.472 3.807 ( -4.602 1.198 8.449) 9.695 4.514 ( 2.599 1.734 -3.547) 4.727 4.778 ( -0.642 -0.105 3.231) 3.296 6.886 ( 0.731 1.189 7.336) 7.468 6.976 ( 8.012 1.053 -3.368) 8.755 9.770 ( 0.166 0.401 -2.694) 2.728 10.227 ( -5.552 -1.902 -6.169) 8.515 11.395 ( 0.340 -1.545 1.486) 2.171 11.444 ( -0.301 0.108 5.701) 5.710 14.886 ( -1.745 0.534 -0.047) 1.826 15.170 ( -1.090 2.556 4.786) 5.534 16.010 ( -0.196 0.569 6.023) 6.053 16.741 ( 2.875 1.009 -4.382) 5.337 ======================= Grid point 427 (215/230) ======================= q-point: (-0.44 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 4.304 2.808 1.190) 5.275 1.221 ( 2.534 0.423 4.108) 4.845 1.337 ( 0.517 0.915 -1.836) 2.115 1.418 ( 2.369 -1.674 -4.350) 5.228 1.513 ( -2.026 0.108 -0.985) 2.256 1.685 ( -1.914 0.561 2.128) 2.917 1.884 ( -4.370 -0.200 -4.112) 6.004 2.162 ( 2.231 -1.716 4.755) 5.526 2.296 ( 2.508 1.833 -1.354) 3.389 2.503 ( -3.636 -0.465 -3.528) 5.088 3.736 ( 2.578 0.860 -1.477) 3.093 3.809 ( -2.072 0.982 5.122) 5.612 4.492 ( 1.943 1.780 -3.367) 4.275 4.754 ( -5.183 2.245 3.790) 6.802 6.925 ( 1.675 4.380 5.265) 7.051 7.020 ( 5.382 4.451 -0.319) 6.991 9.690 ( -2.548 0.950 -7.037) 7.544 10.122 ( -3.743 -4.398 -13.055) 14.275 11.504 ( 4.591 -3.267 7.312) 9.231 11.542 ( 3.445 -1.635 9.177) 9.938 14.859 ( -0.895 -0.003 -1.176) 1.478 15.145 ( -1.232 2.902 0.663) 3.222 16.044 ( 1.988 2.687 3.652) 4.951 16.679 ( -1.979 2.807 -5.669) 6.628 ======================= Grid point 428 (216/230) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 4.863 2.741 2.749) 6.222 1.273 ( -1.320 0.619 6.127) 6.298 1.306 ( 1.394 3.053 -4.181) 5.361 1.416 ( 0.990 -0.616 -4.055) 4.219 1.465 ( -1.229 1.241 -0.529) 1.825 1.658 ( -4.298 -0.833 0.043) 4.378 1.863 ( 1.743 -3.138 -0.625) 3.643 2.221 ( 0.600 2.069 1.074) 2.408 2.284 ( 0.693 -0.945 -1.414) 1.837 2.441 ( -3.056 -0.885 -1.546) 3.538 3.739 ( -0.860 2.129 3.844) 4.478 3.808 ( 0.072 1.117 0.046) 1.120 4.468 ( 2.627 2.185 -3.519) 4.905 4.663 ( -7.855 3.701 4.510) 9.784 6.918 ( 1.436 6.607 3.793) 7.753 7.000 ( 2.381 7.308 0.121) 7.687 9.611 ( -0.756 -0.987 -4.291) 4.467 9.994 ( -4.471 -3.927 -14.770) 15.923 11.664 ( 0.799 -1.712 14.571) 14.693 11.750 ( 11.148 -6.954 0.479) 13.148 14.842 ( 0.226 0.206 -1.554) 1.584 15.076 ( -2.543 3.250 -2.319) 4.733 16.065 ( 5.159 4.476 0.316) 6.837 16.528 ( -7.017 4.736 -3.882) 9.313 ======================= Grid point 429 (217/230) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 5.088 3.813 2.782) 6.940 1.192 ( -4.499 6.054 -2.181) 7.852 1.295 ( 0.093 -0.331 1.378) 1.420 1.372 ( -2.167 1.541 -1.684) 3.148 1.491 ( 3.315 -1.717 0.314) 3.746 1.607 ( -4.148 -0.977 -0.606) 4.304 1.964 ( 4.825 -3.623 2.184) 6.417 2.156 ( -2.840 0.982 -3.873) 4.902 2.326 ( 1.328 -1.128 2.150) 2.768 2.406 ( -1.895 -0.216 -1.203) 2.255 3.733 ( -2.579 2.419 6.605) 7.492 3.780 ( 1.275 1.795 -4.290) 4.822 4.452 ( 4.521 2.540 -4.344) 6.765 4.549 ( -8.326 3.733 5.254) 10.529 6.877 ( 0.901 7.108 2.444) 7.571 6.919 ( 0.147 7.916 -0.609) 7.941 9.629 ( 1.691 -2.319 2.214) 3.625 9.853 ( -4.331 -3.066 -12.707) 13.771 11.834 ( -1.463 -3.508 18.177) 18.570 11.953 ( 10.972 -7.385 -10.539) 16.911 14.835 ( 1.570 1.282 -0.576) 2.107 14.961 ( -4.223 3.566 -3.218) 6.396 16.087 ( 9.756 5.217 -4.390) 11.902 16.326 ( -11.693 5.578 1.836) 13.085 ======================= Grid point 430 (218/230) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 1.858 4.633 -6.793) 8.429 1.036 ( -1.858 4.633 6.793) 8.429 1.318 ( -1.186 0.341 -1.505) 1.946 1.318 ( 1.186 0.341 1.505) 1.946 1.561 ( -2.986 -0.938 -1.411) 3.433 1.561 ( 2.986 -0.938 1.411) 3.433 2.084 ( -3.683 -1.671 -2.809) 4.924 2.084 ( 3.683 -1.671 2.809) 4.924 2.370 ( -1.158 -0.136 -1.990) 2.306 2.370 ( 1.158 -0.136 1.990) 2.306 3.731 ( 5.849 1.907 -11.408) 12.961 3.731 ( -5.849 1.907 11.408) 12.961 4.455 ( 6.908 2.451 -7.158) 10.245 4.455 ( -6.908 2.451 7.158) 10.245 6.821 ( 7.624 5.935 -11.815) 15.263 6.821 ( -7.624 5.935 11.815) 15.263 9.739 ( -3.011 -2.108 -8.850) 9.583 9.739 ( 3.011 -2.108 8.850) 9.583 12.010 ( 6.181 -4.889 -20.066) 21.558 12.010 ( -6.181 -4.889 20.066) 21.558 14.847 ( -3.061 2.331 -1.449) 4.111 14.847 ( 3.061 2.331 1.449) 4.111 16.132 ( 13.407 4.520 -15.592) 21.054 16.132 ( -13.407 4.520 15.592) 21.054 ======================= Grid point 434 (219/230) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 2.373 -0.000 4.342) 4.948 1.169 ( 9.611 -0.000 -8.685) 12.954 1.171 ( 0.678 -0.000 -9.259) 9.284 1.405 ( -2.413 0.000 0.099) 2.415 1.485 ( -2.228 0.000 6.030) 6.428 1.793 ( 0.763 -0.000 3.902) 3.976 1.954 ( -1.123 0.000 2.265) 2.528 2.164 ( -4.415 0.000 -5.166) 6.795 2.211 ( 2.989 -0.000 2.790) 4.088 2.575 ( 2.780 -0.000 -1.846) 3.337 3.672 ( 8.476 -0.000 -11.016) 13.899 3.821 ( -5.285 0.000 9.268) 10.669 4.567 ( 6.089 -0.000 -8.708) 10.625 4.662 ( 4.141 -0.000 7.511) 8.577 6.804 ( -2.520 0.000 12.587) 12.837 6.879 ( 13.462 -0.000 -9.806) 16.655 9.732 ( 2.667 -0.000 2.574) 3.706 10.313 ( -5.659 0.000 5.989) 8.240 11.419 ( -2.691 0.000 -6.480) 7.017 11.506 ( -10.766 0.000 -1.326) 10.848 14.933 ( -2.643 0.000 1.755) 3.173 15.172 ( -0.376 0.000 9.854) 9.861 15.947 ( -4.325 0.000 13.077) 13.774 16.695 ( 10.973 -0.000 -4.363) 11.809 ======================= Grid point 435 (220/230) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 1.436 5.240 0.126) 5.434 1.154 ( 7.655 -0.178 -5.211) 9.262 1.258 ( 8.309 -4.464 -7.094) 11.802 1.373 ( -3.458 -0.297 1.273) 3.696 1.491 ( -4.139 -0.738 4.350) 6.050 1.798 ( -1.208 2.790 1.721) 3.493 2.003 ( 1.858 -1.926 4.921) 5.602 2.035 ( -6.889 0.638 -4.760) 8.398 2.283 ( 4.023 0.098 1.535) 4.307 2.567 ( 0.182 0.089 -4.769) 4.773 3.701 ( 8.521 -0.369 -9.257) 12.587 3.831 ( -5.464 0.609 10.417) 11.779 4.558 ( 4.683 1.371 -7.088) 8.605 4.766 ( 0.534 -0.566 6.442) 6.488 6.906 ( 0.761 0.406 12.850) 12.879 6.992 ( 13.817 0.305 -6.829) 15.416 9.776 ( 2.146 0.072 -1.663) 2.716 10.192 ( -10.346 -0.835 -7.328) 12.706 11.368 ( -1.464 -0.614 1.126) 1.947 11.447 ( -1.504 0.051 5.820) 6.012 14.906 ( -2.794 0.700 1.710) 3.350 15.221 ( -1.912 1.250 6.752) 7.128 16.019 ( -1.709 0.230 12.242) 12.363 16.761 ( 6.231 0.499 -6.714) 9.174 ======================= Grid point 436 (221/230) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 3.340 4.125 -0.148) 5.310 1.239 ( 8.182 1.041 -0.526) 8.265 1.341 ( -1.951 -1.161 -1.305) 2.618 1.354 ( 5.513 -2.471 -3.841) 7.159 1.480 ( -3.238 -1.772 1.841) 4.125 1.744 ( -2.433 3.089 0.794) 4.012 1.892 ( -6.812 0.735 -3.928) 7.898 2.111 ( 2.812 -2.333 5.408) 6.527 2.333 ( 3.036 1.071 -0.029) 3.220 2.496 ( -3.178 -0.147 -6.114) 6.893 3.742 ( 7.931 -0.086 -7.497) 10.914 3.841 ( -5.347 1.287 10.905) 12.213 4.542 ( 4.322 1.956 -5.623) 7.357 4.792 ( -4.096 0.943 5.708) 7.089 7.017 ( 2.260 2.899 11.237) 11.823 7.106 ( 11.674 2.511 -3.458) 12.432 9.726 ( -1.960 1.941 -7.590) 8.076 10.005 ( -6.801 -4.763 -13.484) 15.836 11.425 ( 2.206 -2.443 6.558) 7.338 11.526 ( 1.282 -0.299 10.173) 10.257 14.878 ( -1.359 1.191 1.334) 2.246 15.211 ( -2.829 2.164 3.142) 4.749 16.099 ( 0.041 1.760 10.959) 11.099 16.735 ( 2.723 1.693 -9.590) 10.112 ======================= Grid point 437 (222/230) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 5.330 2.683 2.192) 6.357 1.303 ( -1.849 1.880 5.684) 6.266 1.340 ( 5.742 -0.255 -3.679) 6.825 1.382 ( 1.247 -1.499 -5.087) 5.448 1.479 ( -0.687 -0.561 -1.308) 1.581 1.676 ( -4.084 2.419 0.258) 4.753 1.806 ( -1.333 -1.617 -0.718) 2.215 2.218 ( 2.672 -1.724 4.625) 5.613 2.306 ( -1.975 2.124 -5.513) 6.229 2.419 ( -2.213 -0.968 -1.961) 3.111 3.777 ( 6.314 0.965 -5.450) 8.397 3.844 ( -4.859 1.708 9.255) 10.591 4.531 ( 4.848 2.671 -4.643) 7.225 4.741 ( -7.176 2.586 5.290) 9.283 7.078 ( 1.948 6.125 8.547) 10.694 7.165 ( 7.463 5.847 -1.857) 9.661 9.600 ( -2.135 0.401 -7.359) 7.673 9.877 ( -4.880 -5.531 -13.935) 15.767 11.585 ( 5.686 -4.734 6.122) 9.603 11.643 ( 0.918 -1.418 10.463) 10.598 14.868 ( 0.862 1.672 1.203) 2.233 15.151 ( -3.581 2.697 -0.345) 4.496 16.166 ( 1.713 3.671 9.153) 10.009 16.630 ( -0.528 3.429 -10.383) 10.947 ======================= Grid point 438 (223/230) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 5.955 2.916 3.766) 7.625 1.283 ( -2.502 1.102 -1.778) 3.261 1.324 ( -0.914 2.410 1.270) 2.873 1.405 ( 1.057 0.751 -3.556) 3.785 1.452 ( 2.298 -0.930 -1.534) 2.916 1.588 ( -5.949 0.364 0.471) 5.979 1.887 ( 5.727 -2.727 3.315) 7.157 2.170 ( -5.995 0.176 -7.086) 9.283 2.305 ( 2.336 -0.581 4.032) 4.696 2.399 ( -1.055 -0.375 -1.330) 1.739 3.791 ( 3.738 2.115 -2.488) 4.963 3.828 ( -3.466 2.046 4.885) 6.329 4.527 ( 5.884 3.366 -4.325) 8.041 4.642 ( -8.155 3.682 4.965) 10.233 7.072 ( 0.742 8.405 6.106) 10.416 7.126 ( 3.115 8.620 -2.797) 9.583 9.569 ( 1.157 -2.383 -0.646) 2.726 9.759 ( -4.803 -4.552 -11.484) 13.254 11.750 ( -0.620 -3.523 10.978) 11.546 11.778 ( 6.250 -6.119 -1.750) 8.920 14.883 ( 3.071 2.421 1.665) 4.250 15.046 ( -4.589 3.226 -2.553) 6.163 16.219 ( 4.233 5.257 6.232) 9.186 16.463 ( -4.259 5.279 -7.822) 10.353 ======================= Grid point 439 (224/230) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 1.696 4.409 -10.393) 11.416 1.157 ( -1.696 4.409 10.393) 11.416 1.337 ( -1.118 1.324 -3.866) 4.237 1.337 ( 1.118 1.324 3.866) 4.237 1.526 ( -4.865 -1.657 0.007) 5.140 1.526 ( 4.865 -1.657 -0.007) 5.140 2.040 ( -6.394 -1.777 -5.028) 8.326 2.040 ( 6.394 -1.777 5.028) 8.326 2.366 ( -1.481 -0.203 -2.664) 3.055 2.366 ( 1.481 -0.203 2.664) 3.055 3.787 ( 6.797 2.469 -10.766) 12.970 3.787 ( -6.797 2.469 10.766) 12.970 4.533 ( 6.407 3.734 -6.643) 9.956 4.533 ( -6.407 3.734 6.643) 9.956 7.009 ( 6.129 9.044 -10.661) 15.265 7.009 ( -6.129 9.044 10.661) 15.265 9.669 ( -3.580 -3.549 -6.997) 8.623 9.669 ( 3.580 -3.549 6.997) 8.623 11.871 ( 5.053 -5.891 -12.445) 14.667 11.871 ( -5.053 -5.891 12.445) 14.667 14.918 ( -4.432 3.261 -2.480) 6.036 14.918 ( 4.432 3.261 2.480) 6.036 16.266 ( 8.056 6.046 -17.069) 19.819 16.266 ( -8.056 6.046 17.069) 19.819 ======================= Grid point 445 (225/230) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.103 0.000 0.211) 0.235 1.272 ( 10.467 -0.000 -12.064) 15.972 1.275 ( 10.992 -0.000 -0.037) 10.992 1.344 ( -3.233 0.000 3.491) 4.758 1.456 ( -5.193 0.000 3.785) 6.426 1.789 ( -3.535 0.000 -0.587) 3.584 1.906 ( -7.088 0.000 -3.671) 7.982 2.074 ( 3.184 -0.000 6.164) 6.938 2.346 ( 3.364 -0.000 0.688) 3.433 2.495 ( -2.918 0.000 -7.410) 7.964 3.741 ( 8.805 -0.000 -7.999) 11.896 3.858 ( -5.429 0.000 11.290) 12.528 4.569 ( 5.168 -0.000 -6.948) 8.659 4.803 ( -3.726 0.000 6.967) 7.901 7.053 ( 2.301 -0.000 14.201) 14.386 7.137 ( 14.409 -0.000 -5.238) 15.332 9.761 ( 0.286 -0.000 -6.300) 6.306 9.933 ( -10.087 0.000 -15.144) 18.196 11.395 ( 0.908 -0.000 6.773) 6.833 11.523 ( 1.169 -0.000 9.925) 9.994 14.896 ( -1.795 0.000 2.483) 3.064 15.238 ( -3.289 0.000 3.398) 4.729 16.122 ( -1.040 0.000 14.381) 14.418 16.756 ( 4.308 -0.000 -11.125) 11.930 ======================= Grid point 446 (226/230) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 2.184 1.105 2.098) 3.224 1.292 ( 3.131 -1.321 -5.832) 6.750 1.348 ( 1.462 -0.336 -1.644) 2.226 1.391 ( 4.474 2.664 1.939) 5.556 1.452 ( 1.329 -1.654 1.011) 2.350 1.724 ( -2.996 0.761 -0.799) 3.193 1.791 ( -5.472 0.328 -1.056) 5.583 2.177 ( 3.267 -1.173 4.354) 5.569 2.354 ( -3.282 1.666 -5.514) 6.630 2.393 ( -0.668 -1.158 -2.276) 2.639 3.791 ( 8.533 0.224 -7.323) 11.247 3.877 ( -5.790 0.797 10.992) 12.449 4.581 ( 6.134 1.184 -5.987) 8.653 4.784 ( -6.921 0.942 6.555) 9.579 7.189 ( 1.676 2.582 13.023) 13.381 7.264 ( 11.624 2.108 -4.163) 12.526 9.640 ( -3.502 2.965 -10.027) 11.027 9.742 ( -4.646 -5.236 -12.768) 14.562 11.504 ( 3.855 -1.737 7.466) 8.581 11.624 ( 0.245 -0.361 9.652) 9.662 14.904 ( 0.452 0.970 2.916) 3.106 15.196 ( -4.270 0.961 0.194) 4.381 16.231 ( -0.743 1.498 14.987) 15.080 16.687 ( 3.030 1.176 -14.173) 14.541 ======================= Grid point 447 (227/230) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 3.989 0.292 3.777) 5.501 1.283 ( -1.197 -1.042 -3.820) 4.137 1.342 ( -0.618 -0.346 1.007) 1.231 1.432 ( 2.562 1.485 -2.853) 4.112 1.456 ( 2.062 1.237 -0.316) 2.425 1.634 ( -6.146 2.488 -0.908) 6.692 1.830 ( 5.816 -1.959 5.044) 7.944 2.165 ( -5.936 -0.456 -9.172) 10.935 2.297 ( 0.983 -0.088 5.373) 5.463 2.390 ( -0.052 -0.356 -2.063) 2.094 3.829 ( 7.649 1.018 -7.292) 10.617 3.872 ( -6.319 1.461 9.630) 11.611 4.599 ( 7.111 2.322 -5.350) 9.197 4.716 ( -8.234 2.252 5.894) 10.374 7.251 ( 0.083 5.837 9.872) 11.469 7.303 ( 6.468 5.462 -4.791) 9.728 9.529 ( -0.189 -0.671 -4.332) 4.387 9.646 ( -4.292 -4.478 -9.446) 11.300 11.647 ( 5.067 -3.459 2.819) 6.752 11.701 ( -1.665 -1.608 7.327) 7.684 14.937 ( 2.997 1.838 3.159) 4.726 15.108 ( -4.797 1.796 -2.255) 5.597 16.325 ( 0.013 3.246 13.983) 14.355 16.564 ( 1.075 2.889 -14.354) 14.681 ======================= Grid point 448 (228/230) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 1.125 0.340 -8.750) 8.829 1.215 ( -1.125 0.340 8.750) 8.829 1.370 ( -1.446 0.852 -3.843) 4.194 1.370 ( 1.446 0.852 3.843) 4.194 1.516 ( -6.534 1.372 0.195) 6.679 1.516 ( 6.534 1.372 -0.195) 6.679 2.003 ( -7.732 -1.279 -7.109) 10.581 2.003 ( 7.732 -1.280 7.109) 10.581 2.360 ( -1.117 -0.305 -3.623) 3.803 2.360 ( 1.117 -0.305 3.623) 3.803 3.841 ( 7.339 1.877 -9.693) 12.302 3.841 ( -7.339 1.877 9.693) 12.302 4.620 ( 6.893 3.243 -6.283) 9.874 4.620 ( -6.893 3.243 6.283) 9.874 7.225 ( 4.969 8.094 -9.976) 13.774 7.225 ( -4.969 8.094 9.976) 13.774 9.579 ( -2.802 -3.549 -4.960) 6.712 9.579 ( 2.802 -3.549 4.960) 6.712 11.749 ( 4.020 -3.982 -5.542) 7.920 11.749 ( -4.020 -3.982 5.542) 7.920 14.992 ( -4.613 2.592 -3.160) 6.163 14.992 ( 4.614 2.592 3.160) 6.163 16.400 ( 4.614 4.609 -17.635) 18.802 16.400 ( -4.614 4.609 17.635) 18.802 ======================= Grid point 456 (229/230) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 2.283 -0.000 4.117) 4.707 1.264 ( 0.411 -0.000 -6.129) 6.143 1.336 ( 0.003 -0.000 1.704) 1.704 1.447 ( -1.059 0.000 -3.573) 3.727 1.485 ( 4.823 -0.000 1.301) 4.995 1.668 ( -5.774 0.000 -1.670) 6.011 1.803 ( 5.679 -0.000 6.205) 8.412 2.157 ( -5.036 0.000 -9.470) 10.726 2.297 ( -0.342 0.000 5.490) 5.501 2.385 ( 0.502 -0.000 -2.538) 2.587 3.841 ( 8.286 -0.000 -7.635) 11.267 3.891 ( -6.588 0.000 9.936) 11.922 4.629 ( 7.630 -0.000 -5.990) 9.700 4.744 ( -8.392 0.000 6.532) 10.634 7.327 ( -0.993 0.000 12.549) 12.588 7.371 ( 8.728 -0.000 -6.584) 10.933 9.535 ( -0.757 0.000 -9.433) 9.463 9.572 ( -4.058 0.000 -5.113) 6.528 11.605 ( 4.563 -0.000 4.236) 6.226 11.681 ( -1.825 0.000 6.147) 6.412 14.961 ( 2.638 -0.000 3.729) 4.567 15.130 ( -4.797 0.000 -2.247) 5.297 16.365 ( -1.848 0.000 17.085) 17.185 16.599 ( 3.181 -0.000 -16.881) 17.179 ======================= Grid point 457 (230/230) ======================= q-point: (-0.44 -0.56 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -1.744 -0.689 -5.797) 6.093 1.202 ( 1.744 -0.689 5.797) 6.093 1.380 ( -2.516 0.206 -3.478) 4.297 1.380 ( 2.516 0.206 3.478) 4.297 1.563 ( -6.336 1.472 -1.068) 6.592 1.563 ( 6.336 1.472 1.068) 6.592 1.979 ( -8.252 -0.588 -8.845) 12.110 1.979 ( 8.252 -0.588 8.845) 12.110 2.353 ( -0.725 -0.176 -4.419) 4.482 2.353 ( 0.725 -0.176 4.419) 4.482 3.873 ( 7.506 0.696 -8.765) 11.561 3.873 ( -7.506 0.696 8.765) 11.561 4.677 ( 8.207 1.264 -6.190) 10.357 4.677 ( -8.207 1.264 6.190) 10.357 7.369 ( 4.587 3.302 -9.840) 11.348 7.369 ( -4.587 3.302 9.840) 11.348 9.514 ( -0.458 -1.562 -2.167) 2.710 9.514 ( 0.458 -1.562 2.167) 2.710 11.684 ( 2.078 -1.336 -1.330) 2.806 11.684 ( -2.078 -1.336 1.330) 2.806 15.036 ( -4.333 0.954 -3.528) 5.668 15.036 ( 4.333 0.954 3.528) 5.668 16.477 ( 2.871 1.671 -17.599) 17.909 16.477 ( -2.871 1.671 17.599) 17.909 =================== 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 3/19440 10.0 20.341 9.582 36.476 0.000 -4.328 -0.000 3/19440 20.0 7.624 2.890 14.610 0.000 -1.967 -0.000 3/19440 30.0 4.503 1.649 8.682 0.000 -1.179 -0.000 3/19440 40.0 3.243 1.168 6.235 0.000 -0.872 -0.000 3/19440 50.0 2.579 0.914 4.937 0.000 -0.732 -0.000 3/19440 60.0 2.174 0.757 4.143 0.000 -0.659 -0.000 3/19440 70.0 1.903 0.652 3.609 0.000 -0.614 -0.000 3/19440 80.0 1.709 0.577 3.224 0.000 -0.582 -0.000 3/19440 90.0 1.565 0.522 2.930 0.000 -0.556 -0.000 3/19440 100.0 1.454 0.480 2.698 0.000 -0.534 -0.000 3/19440 110.0 1.367 0.449 2.508 0.000 -0.514 -0.000 3/19440 120.0 1.297 0.424 2.349 0.000 -0.497 -0.000 3/19440 130.0 1.239 0.405 2.214 0.000 -0.481 -0.000 3/19440 140.0 1.190 0.389 2.096 0.000 -0.466 -0.000 3/19440 150.0 1.147 0.376 1.993 0.000 -0.453 -0.000 3/19440 160.0 1.109 0.365 1.902 0.000 -0.440 -0.000 3/19440 170.0 1.075 0.356 1.819 0.000 -0.428 -0.000 3/19440 180.0 1.044 0.347 1.745 0.000 -0.416 -0.000 3/19440 190.0 1.015 0.339 1.677 0.000 -0.405 -0.000 3/19440 200.0 0.988 0.331 1.614 0.000 -0.395 -0.000 3/19440 210.0 0.962 0.324 1.556 0.000 -0.385 -0.000 3/19440 220.0 0.937 0.317 1.502 0.000 -0.375 -0.000 3/19440 230.0 0.914 0.311 1.452 0.000 -0.366 -0.000 3/19440 240.0 0.891 0.304 1.406 0.000 -0.357 -0.000 3/19440 250.0 0.869 0.298 1.362 0.000 -0.349 -0.000 3/19440 260.0 0.849 0.292 1.320 0.000 -0.340 -0.000 3/19440 270.0 0.828 0.286 1.281 0.000 -0.332 -0.000 3/19440 280.0 0.809 0.280 1.244 0.000 -0.324 -0.000 3/19440 290.0 0.791 0.275 1.210 0.000 -0.317 -0.000 3/19440 300.0 0.773 0.269 1.177 0.000 -0.310 -0.000 3/19440 310.0 0.755 0.264 1.145 0.000 -0.303 -0.000 3/19440 320.0 0.739 0.259 1.115 0.000 -0.296 -0.000 3/19440 330.0 0.723 0.254 1.087 0.000 -0.290 -0.000 3/19440 340.0 0.707 0.249 1.060 0.000 -0.283 -0.000 3/19440 350.0 0.692 0.244 1.034 0.000 -0.277 -0.000 3/19440 360.0 0.678 0.240 1.010 0.000 -0.272 -0.000 3/19440 370.0 0.664 0.235 0.986 0.000 -0.266 -0.000 3/19440 380.0 0.650 0.231 0.964 0.000 -0.261 -0.000 3/19440 390.0 0.637 0.227 0.942 0.000 -0.255 -0.000 3/19440 400.0 0.625 0.222 0.922 0.000 -0.250 -0.000 3/19440 410.0 0.612 0.218 0.902 0.000 -0.245 -0.000 3/19440 420.0 0.601 0.214 0.883 0.000 -0.241 -0.000 3/19440 430.0 0.589 0.211 0.864 0.000 -0.236 -0.000 3/19440 440.0 0.578 0.207 0.847 0.000 -0.232 -0.000 3/19440 450.0 0.568 0.203 0.830 0.000 -0.227 -0.000 3/19440 460.0 0.558 0.200 0.814 0.000 -0.223 -0.000 3/19440 470.0 0.548 0.197 0.798 0.000 -0.219 -0.000 3/19440 480.0 0.538 0.193 0.783 0.000 -0.216 -0.000 3/19440 490.0 0.529 0.190 0.768 0.000 -0.212 -0.000 3/19440 500.0 0.520 0.187 0.754 0.000 -0.208 -0.000 3/19440 510.0 0.511 0.184 0.741 0.000 -0.205 -0.000 3/19440 520.0 0.502 0.181 0.728 0.000 -0.201 -0.000 3/19440 530.0 0.494 0.178 0.715 0.000 -0.198 -0.000 3/19440 540.0 0.486 0.176 0.703 0.000 -0.195 -0.000 3/19440 550.0 0.478 0.173 0.691 0.000 -0.192 -0.000 3/19440 560.0 0.471 0.170 0.680 0.000 -0.189 -0.000 3/19440 570.0 0.464 0.168 0.669 0.000 -0.186 -0.000 3/19440 580.0 0.457 0.165 0.658 0.000 -0.183 -0.000 3/19440 590.0 0.450 0.163 0.647 0.000 -0.180 -0.000 3/19440 600.0 0.443 0.161 0.637 0.000 -0.177 -0.000 3/19440 610.0 0.436 0.158 0.628 0.000 -0.175 -0.000 3/19440 620.0 0.430 0.156 0.618 0.000 -0.172 -0.000 3/19440 630.0 0.424 0.154 0.609 0.000 -0.170 -0.000 3/19440 640.0 0.418 0.152 0.600 0.000 -0.167 -0.000 3/19440 650.0 0.412 0.150 0.591 0.000 -0.165 -0.000 3/19440 660.0 0.406 0.148 0.583 0.000 -0.163 -0.000 3/19440 670.0 0.401 0.146 0.574 0.000 -0.161 -0.000 3/19440 680.0 0.396 0.144 0.566 0.000 -0.158 -0.000 3/19440 690.0 0.390 0.142 0.559 0.000 -0.156 -0.000 3/19440 700.0 0.385 0.140 0.551 0.000 -0.154 -0.000 3/19440 710.0 0.380 0.138 0.544 0.000 -0.152 -0.000 3/19440 720.0 0.375 0.137 0.536 0.000 -0.150 -0.000 3/19440 730.0 0.371 0.135 0.529 0.000 -0.148 -0.000 3/19440 740.0 0.366 0.133 0.523 0.000 -0.147 -0.000 3/19440 750.0 0.361 0.132 0.516 0.000 -0.145 -0.000 3/19440 760.0 0.357 0.130 0.509 0.000 -0.143 -0.000 3/19440 770.0 0.353 0.129 0.503 0.000 -0.141 -0.000 3/19440 780.0 0.348 0.127 0.497 0.000 -0.140 -0.000 3/19440 790.0 0.344 0.126 0.491 0.000 -0.138 -0.000 3/19440 800.0 0.340 0.124 0.485 0.000 -0.136 -0.000 3/19440 810.0 0.336 0.123 0.479 0.000 -0.135 -0.000 3/19440 820.0 0.332 0.121 0.474 0.000 -0.133 -0.000 3/19440 830.0 0.329 0.120 0.468 0.000 -0.132 -0.000 3/19440 840.0 0.325 0.119 0.463 0.000 -0.130 -0.000 3/19440 850.0 0.321 0.117 0.457 0.000 -0.129 -0.000 3/19440 860.0 0.318 0.116 0.452 0.000 -0.127 -0.000 3/19440 870.0 0.314 0.115 0.447 0.000 -0.126 -0.000 3/19440 880.0 0.311 0.114 0.442 0.000 -0.125 -0.000 3/19440 890.0 0.308 0.113 0.437 0.000 -0.123 -0.000 3/19440 900.0 0.304 0.111 0.433 0.000 -0.122 -0.000 3/19440 910.0 0.301 0.110 0.428 0.000 -0.121 -0.000 3/19440 920.0 0.298 0.109 0.424 0.000 -0.119 -0.000 3/19440 930.0 0.295 0.108 0.419 0.000 -0.118 -0.000 3/19440 940.0 0.292 0.107 0.415 0.000 -0.117 -0.000 3/19440 950.0 0.289 0.106 0.411 0.000 -0.116 -0.000 3/19440 960.0 0.286 0.105 0.406 0.000 -0.115 -0.000 3/19440 970.0 0.283 0.104 0.402 0.000 -0.114 -0.000 3/19440 980.0 0.281 0.103 0.398 0.000 -0.112 -0.000 3/19440 990.0 0.278 0.102 0.395 0.000 -0.111 -0.000 3/19440 1000.0 0.275 0.101 0.391 0.000 -0.110 -0.000 3/19440 Thermal conductivity related properties were written into "kappa-m9910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:14:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|