----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:58:48]------------------------- 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 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.955381540000000 2.955381540000000 6.522321150000000 b 2.955381540000000 -2.955381540000000 6.522321150000000 c 2.955381540000000 2.955381540000000 -6.522321150000000 Atomic positions (fractional): *1 O 0.21221892562760 0.54275275420769 0.90802671750924 15.999 2 O 0.29275275420769 0.88472603669846 0.83053382858009 15.999 3 O 0.05419220811837 0.46221892562760 0.16946617141991 15.999 4 O 0.63472603669845 0.30419220811837 0.09197328249077 15.999 5 O 0.11527396330154 0.94580779188163 0.40802671750923 15.999 6 O 0.69580779188163 0.78778107437240 0.33053382858009 15.999 7 O 0.45724724579231 0.36527396330154 0.66946617141991 15.999 8 O 0.53778107437240 0.70724724579231 0.59197328249077 15.999 *9 Rb 0.75000000000000 0.25000000000000 0.50000000000000 85.468 10 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 *11 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 12 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.910763080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.910763080000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.044642300000000 Atomic positions (fractional): *1 O 0.11928027304466 0.78874644446457 0.42347248116303 15.999 > 1 2 O 0.71125355553543 0.11928027304466 0.17347248116303 15.999 > 2 3 O 0.28874644446457 0.88071972695534 0.17347248116303 15.999 > 3 4 O 0.88071972695534 0.21125355553543 0.42347248116303 15.999 > 4 5 O 0.61928027304466 0.78874644446457 0.32652751883697 15.999 > 5 6 O 0.71125355553543 0.61928027304466 0.07652751883697 15.999 > 6 7 O 0.28874644446457 0.38071972695534 0.07652751883697 15.999 > 7 8 O 0.38071972695534 0.21125355553543 0.32652751883697 15.999 > 8 9 O 0.61928027304466 0.28874644446457 0.92347248116303 15.999 > 1 10 O 0.21125355553543 0.61928027304466 0.67347248116303 15.999 > 2 11 O 0.78874644446457 0.38071972695534 0.67347248116303 15.999 > 3 12 O 0.38071972695534 0.71125355553543 0.92347248116303 15.999 > 4 13 O 0.11928027304466 0.28874644446457 0.82652751883697 15.999 > 5 14 O 0.21125355553543 0.11928027304466 0.57652751883697 15.999 > 6 15 O 0.78874644446457 0.88071972695534 0.57652751883697 15.999 > 7 16 O 0.88071972695534 0.71125355553543 0.82652751883697 15.999 > 8 *17 Rb 0.00000000000000 0.50000000000000 0.25000000000000 85.468 > 9 18 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 10 19 Rb 0.50000000000000 0.00000000000000 0.75000000000000 85.468 > 9 20 Rb 0.50000000000000 0.50000000000000 0.50000000000000 85.468 > 10 *21 Re 0.50000000000000 0.00000000000000 0.25000000000000 186.207 > 11 22 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 > 12 23 Re 0.00000000000000 0.50000000000000 0.75000000000000 186.207 > 11 24 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.821526160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.821526160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.044642300000000 Atomic positions (fractional): *1 O 0.05964013652233 0.39437322223229 0.42347248116303 15.999 > 1 2 O 0.55964013652233 0.39437322223229 0.42347248116303 15.999 > 1 3 O 0.05964013652233 0.89437322223229 0.42347248116303 15.999 > 1 4 O 0.55964013652233 0.89437322223229 0.42347248116303 15.999 > 1 5 O 0.35562677776771 0.05964013652233 0.17347248116303 15.999 > 2 6 O 0.85562677776771 0.05964013652233 0.17347248116303 15.999 > 2 7 O 0.35562677776771 0.55964013652233 0.17347248116303 15.999 > 2 8 O 0.85562677776771 0.55964013652233 0.17347248116303 15.999 > 2 9 O 0.14437322223229 0.44035986347767 0.17347248116303 15.999 > 3 10 O 0.64437322223229 0.44035986347767 0.17347248116303 15.999 > 3 11 O 0.14437322223229 0.94035986347767 0.17347248116303 15.999 > 3 12 O 0.64437322223229 0.94035986347767 0.17347248116303 15.999 > 3 13 O 0.44035986347767 0.10562677776771 0.42347248116303 15.999 > 4 14 O 0.94035986347767 0.10562677776771 0.42347248116303 15.999 > 4 15 O 0.44035986347767 0.60562677776771 0.42347248116303 15.999 > 4 16 O 0.94035986347767 0.60562677776771 0.42347248116303 15.999 > 4 17 O 0.30964013652233 0.39437322223229 0.32652751883697 15.999 > 5 18 O 0.80964013652233 0.39437322223229 0.32652751883697 15.999 > 5 19 O 0.30964013652233 0.89437322223229 0.32652751883697 15.999 > 5 20 O 0.80964013652233 0.89437322223229 0.32652751883697 15.999 > 5 21 O 0.35562677776771 0.30964013652233 0.07652751883697 15.999 > 6 22 O 0.85562677776771 0.30964013652233 0.07652751883697 15.999 > 6 23 O 0.35562677776771 0.80964013652233 0.07652751883697 15.999 > 6 24 O 0.85562677776771 0.80964013652233 0.07652751883697 15.999 > 6 25 O 0.14437322223229 0.19035986347767 0.07652751883697 15.999 > 7 26 O 0.64437322223229 0.19035986347767 0.07652751883697 15.999 > 7 27 O 0.14437322223229 0.69035986347767 0.07652751883697 15.999 > 7 28 O 0.64437322223229 0.69035986347767 0.07652751883697 15.999 > 7 29 O 0.19035986347767 0.10562677776771 0.32652751883697 15.999 > 8 30 O 0.69035986347767 0.10562677776771 0.32652751883697 15.999 > 8 31 O 0.19035986347767 0.60562677776771 0.32652751883697 15.999 > 8 32 O 0.69035986347767 0.60562677776771 0.32652751883697 15.999 > 8 33 O 0.30964013652233 0.14437322223229 0.92347248116303 15.999 > 1 34 O 0.80964013652233 0.14437322223229 0.92347248116303 15.999 > 1 35 O 0.30964013652233 0.64437322223229 0.92347248116303 15.999 > 1 36 O 0.80964013652233 0.64437322223229 0.92347248116303 15.999 > 1 37 O 0.10562677776771 0.30964013652233 0.67347248116303 15.999 > 2 38 O 0.60562677776771 0.30964013652233 0.67347248116303 15.999 > 2 39 O 0.10562677776771 0.80964013652233 0.67347248116303 15.999 > 2 40 O 0.60562677776771 0.80964013652233 0.67347248116303 15.999 > 2 41 O 0.39437322223229 0.19035986347767 0.67347248116303 15.999 > 3 42 O 0.89437322223229 0.19035986347767 0.67347248116303 15.999 > 3 43 O 0.39437322223229 0.69035986347767 0.67347248116303 15.999 > 3 44 O 0.89437322223229 0.69035986347767 0.67347248116303 15.999 > 3 45 O 0.19035986347767 0.35562677776771 0.92347248116303 15.999 > 4 46 O 0.69035986347767 0.35562677776771 0.92347248116303 15.999 > 4 47 O 0.19035986347767 0.85562677776771 0.92347248116303 15.999 > 4 48 O 0.69035986347767 0.85562677776771 0.92347248116303 15.999 > 4 49 O 0.05964013652233 0.14437322223229 0.82652751883697 15.999 > 5 50 O 0.55964013652233 0.14437322223229 0.82652751883697 15.999 > 5 51 O 0.05964013652233 0.64437322223229 0.82652751883697 15.999 > 5 52 O 0.55964013652233 0.64437322223229 0.82652751883697 15.999 > 5 53 O 0.10562677776771 0.05964013652233 0.57652751883697 15.999 > 6 54 O 0.60562677776771 0.05964013652233 0.57652751883697 15.999 > 6 55 O 0.10562677776771 0.55964013652233 0.57652751883697 15.999 > 6 56 O 0.60562677776771 0.55964013652233 0.57652751883697 15.999 > 6 57 O 0.39437322223229 0.44035986347767 0.57652751883697 15.999 > 7 58 O 0.89437322223229 0.44035986347767 0.57652751883697 15.999 > 7 59 O 0.39437322223229 0.94035986347767 0.57652751883697 15.999 > 7 60 O 0.89437322223229 0.94035986347767 0.57652751883697 15.999 > 7 61 O 0.44035986347767 0.35562677776771 0.82652751883697 15.999 > 8 62 O 0.94035986347767 0.35562677776771 0.82652751883697 15.999 > 8 63 O 0.44035986347767 0.85562677776771 0.82652751883697 15.999 > 8 64 O 0.94035986347767 0.85562677776771 0.82652751883697 15.999 > 8 *65 Rb 0.00000000000000 0.25000000000000 0.25000000000000 85.468 > 9 66 Rb 0.50000000000000 0.25000000000000 0.25000000000000 85.468 > 9 67 Rb 0.00000000000000 0.75000000000000 0.25000000000000 85.468 > 9 68 Rb 0.50000000000000 0.75000000000000 0.25000000000000 85.468 > 9 69 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 10 70 Rb 0.50000000000000 0.00000000000000 0.00000000000000 85.468 > 10 71 Rb 0.00000000000000 0.50000000000000 0.00000000000000 85.468 > 10 72 Rb 0.50000000000000 0.50000000000000 0.00000000000000 85.468 > 10 73 Rb 0.25000000000000 0.00000000000000 0.75000000000000 85.468 > 9 74 Rb 0.75000000000000 0.00000000000000 0.75000000000000 85.468 > 9 75 Rb 0.25000000000000 0.50000000000000 0.75000000000000 85.468 > 9 76 Rb 0.75000000000000 0.50000000000000 0.75000000000000 85.468 > 9 77 Rb 0.25000000000000 0.25000000000000 0.50000000000000 85.468 > 10 78 Rb 0.75000000000000 0.25000000000000 0.50000000000000 85.468 > 10 79 Rb 0.25000000000000 0.75000000000000 0.50000000000000 85.468 > 10 80 Rb 0.75000000000000 0.75000000000000 0.50000000000000 85.468 > 10 *81 Re 0.25000000000000 0.00000000000000 0.25000000000000 186.207 > 11 82 Re 0.75000000000000 0.00000000000000 0.25000000000000 186.207 > 11 83 Re 0.25000000000000 0.50000000000000 0.25000000000000 186.207 > 11 84 Re 0.75000000000000 0.50000000000000 0.25000000000000 186.207 > 11 85 Re 0.25000000000000 0.25000000000000 0.00000000000000 186.207 > 12 86 Re 0.75000000000000 0.25000000000000 0.00000000000000 186.207 > 12 87 Re 0.25000000000000 0.75000000000000 0.00000000000000 186.207 > 12 88 Re 0.75000000000000 0.75000000000000 0.00000000000000 186.207 > 12 89 Re 0.00000000000000 0.25000000000000 0.75000000000000 186.207 > 11 90 Re 0.50000000000000 0.25000000000000 0.75000000000000 186.207 > 11 91 Re 0.00000000000000 0.75000000000000 0.75000000000000 186.207 > 11 92 Re 0.50000000000000 0.75000000000000 0.75000000000000 186.207 > 11 93 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 12 94 Re 0.50000000000000 0.00000000000000 0.50000000000000 186.207 > 12 95 Re 0.00000000000000 0.50000000000000 0.50000000000000 186.207 > 12 96 Re 0.50000000000000 0.50000000000000 0.50000000000000 186.207 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6541448 0.0000003 0.0000000 -0.0000003 2.6541448 0.0000000 0.0000000 0.0000000 2.7555257 -------------------------- Born effective charges -------------------------- 1 O -0.8446681 0.4809138 0.4371159 0.5122278 -1.3258217 -0.6265420 0.3991923 -0.6952810 -1.1757458 2 O -1.3258217 -0.5122278 0.6265420 -0.4809138 -0.8446681 0.4371159 0.6952810 0.3991923 -1.1757458 3 O -1.3258217 -0.5122278 -0.6265420 -0.4809138 -0.8446681 -0.4371159 -0.6952810 -0.3991923 -1.1757458 4 O -0.8446681 0.4809138 -0.4371159 0.5122278 -1.3258217 0.6265420 -0.3991923 0.6952810 -1.1757458 5 O -0.8446681 0.4809138 -0.4371159 0.5122278 -1.3258217 0.6265420 -0.3991923 0.6952810 -1.1757458 6 O -1.3258217 -0.5122278 -0.6265420 -0.4809138 -0.8446681 -0.4371159 -0.6952810 -0.3991923 -1.1757458 7 O -1.3258217 -0.5122278 0.6265420 -0.4809138 -0.8446681 0.4371159 0.6952810 0.3991923 -1.1757458 8 O -0.8446681 0.4809138 0.4371159 0.5122278 -1.3258217 -0.6265420 0.3991923 -0.6952810 -1.1757458 9 Rb 1.4319324 -0.0576682 -0.0000000 0.0576682 1.4319324 0.0000000 0.0000000 0.0000000 1.3442902 10 Rb 1.4319324 -0.0576682 -0.0000000 0.0576682 1.4319324 0.0000000 0.0000000 0.0000000 1.3442902 11 Re 2.9090472 0.1202962 -0.0000000 -0.1202962 2.9090472 0.0000000 0.0000000 0.0000000 3.3586930 12 Re 2.9090472 0.1202962 -0.0000000 -0.1202962 2.9090472 0.0000000 0.0000000 0.0000000 3.3586930 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.545 Solver_block: 200 / 240 - Time: 0.560 Solver_block: 240 / 240 - Time: 0.285 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.405 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 696 Number of blocks in projector: 696 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 178 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 146 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 92 Use standard eigh solver. Tree of FC basis block matrices: - (696, 682), data: False |-- (92, 89), data: True |-- (146, 143), data: True |-- (178, 174), data: True |-- (280, 276), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:58:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:58:59]------------------------- 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 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.955381540000000 2.955381540000000 6.522321150000000 b 2.955381540000000 -2.955381540000000 6.522321150000000 c 2.955381540000000 2.955381540000000 -6.522321150000000 Atomic positions (fractional): 1 O 0.21221892562760 0.54275275420769 0.90802671750924 15.999 2 O 0.29275275420769 0.88472603669846 0.83053382858009 15.999 3 O 0.05419220811837 0.46221892562760 0.16946617141991 15.999 4 O 0.63472603669845 0.30419220811837 0.09197328249077 15.999 5 O 0.11527396330154 0.94580779188163 0.40802671750923 15.999 6 O 0.69580779188163 0.78778107437240 0.33053382858009 15.999 7 O 0.45724724579231 0.36527396330154 0.66946617141991 15.999 8 O 0.53778107437240 0.70724724579231 0.59197328249077 15.999 9 Rb 0.75000000000000 0.25000000000000 0.50000000000000 85.468 10 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 11 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 12 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.821526160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.821526160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.044642300000000 Atomic positions (fractional): 1 O 0.05964013652233 0.39437322223229 0.42347248116303 15.999 > 1 2 O 0.55964013652233 0.39437322223229 0.42347248116303 15.999 > 1 3 O 0.05964013652233 0.89437322223229 0.42347248116303 15.999 > 1 4 O 0.55964013652233 0.89437322223229 0.42347248116303 15.999 > 1 5 O 0.35562677776771 0.05964013652233 0.17347248116303 15.999 > 5 6 O 0.85562677776771 0.05964013652233 0.17347248116303 15.999 > 5 7 O 0.35562677776771 0.55964013652233 0.17347248116303 15.999 > 5 8 O 0.85562677776771 0.55964013652233 0.17347248116303 15.999 > 5 9 O 0.14437322223229 0.44035986347767 0.17347248116303 15.999 > 9 10 O 0.64437322223229 0.44035986347767 0.17347248116303 15.999 > 9 11 O 0.14437322223229 0.94035986347767 0.17347248116303 15.999 > 9 12 O 0.64437322223229 0.94035986347767 0.17347248116303 15.999 > 9 13 O 0.44035986347767 0.10562677776771 0.42347248116303 15.999 > 13 14 O 0.94035986347767 0.10562677776771 0.42347248116303 15.999 > 13 15 O 0.44035986347767 0.60562677776771 0.42347248116303 15.999 > 13 16 O 0.94035986347767 0.60562677776771 0.42347248116303 15.999 > 13 17 O 0.30964013652233 0.39437322223229 0.32652751883697 15.999 > 17 18 O 0.80964013652233 0.39437322223229 0.32652751883697 15.999 > 17 19 O 0.30964013652233 0.89437322223229 0.32652751883697 15.999 > 17 20 O 0.80964013652233 0.89437322223229 0.32652751883697 15.999 > 17 21 O 0.35562677776771 0.30964013652233 0.07652751883697 15.999 > 21 22 O 0.85562677776771 0.30964013652233 0.07652751883697 15.999 > 21 23 O 0.35562677776771 0.80964013652233 0.07652751883697 15.999 > 21 24 O 0.85562677776771 0.80964013652233 0.07652751883697 15.999 > 21 25 O 0.14437322223229 0.19035986347767 0.07652751883697 15.999 > 25 26 O 0.64437322223229 0.19035986347767 0.07652751883697 15.999 > 25 27 O 0.14437322223229 0.69035986347767 0.07652751883697 15.999 > 25 28 O 0.64437322223229 0.69035986347767 0.07652751883697 15.999 > 25 29 O 0.19035986347767 0.10562677776771 0.32652751883697 15.999 > 29 30 O 0.69035986347767 0.10562677776771 0.32652751883697 15.999 > 29 31 O 0.19035986347767 0.60562677776771 0.32652751883697 15.999 > 29 32 O 0.69035986347767 0.60562677776771 0.32652751883697 15.999 > 29 33 O 0.30964013652233 0.14437322223229 0.92347248116303 15.999 > 1 34 O 0.80964013652233 0.14437322223229 0.92347248116303 15.999 > 1 35 O 0.30964013652233 0.64437322223229 0.92347248116303 15.999 > 1 36 O 0.80964013652233 0.64437322223229 0.92347248116303 15.999 > 1 37 O 0.10562677776771 0.30964013652233 0.67347248116303 15.999 > 5 38 O 0.60562677776771 0.30964013652233 0.67347248116303 15.999 > 5 39 O 0.10562677776771 0.80964013652233 0.67347248116303 15.999 > 5 40 O 0.60562677776771 0.80964013652233 0.67347248116303 15.999 > 5 41 O 0.39437322223229 0.19035986347767 0.67347248116303 15.999 > 9 42 O 0.89437322223229 0.19035986347767 0.67347248116303 15.999 > 9 43 O 0.39437322223229 0.69035986347767 0.67347248116303 15.999 > 9 44 O 0.89437322223229 0.69035986347767 0.67347248116303 15.999 > 9 45 O 0.19035986347767 0.35562677776771 0.92347248116303 15.999 > 13 46 O 0.69035986347767 0.35562677776771 0.92347248116303 15.999 > 13 47 O 0.19035986347767 0.85562677776771 0.92347248116303 15.999 > 13 48 O 0.69035986347767 0.85562677776771 0.92347248116303 15.999 > 13 49 O 0.05964013652233 0.14437322223229 0.82652751883697 15.999 > 17 50 O 0.55964013652233 0.14437322223229 0.82652751883697 15.999 > 17 51 O 0.05964013652233 0.64437322223229 0.82652751883697 15.999 > 17 52 O 0.55964013652233 0.64437322223229 0.82652751883697 15.999 > 17 53 O 0.10562677776771 0.05964013652233 0.57652751883697 15.999 > 21 54 O 0.60562677776771 0.05964013652233 0.57652751883697 15.999 > 21 55 O 0.10562677776771 0.55964013652233 0.57652751883697 15.999 > 21 56 O 0.60562677776771 0.55964013652233 0.57652751883697 15.999 > 21 57 O 0.39437322223229 0.44035986347767 0.57652751883697 15.999 > 25 58 O 0.89437322223229 0.44035986347767 0.57652751883697 15.999 > 25 59 O 0.39437322223229 0.94035986347767 0.57652751883697 15.999 > 25 60 O 0.89437322223229 0.94035986347767 0.57652751883697 15.999 > 25 61 O 0.44035986347767 0.35562677776771 0.82652751883697 15.999 > 29 62 O 0.94035986347767 0.35562677776771 0.82652751883697 15.999 > 29 63 O 0.44035986347767 0.85562677776771 0.82652751883697 15.999 > 29 64 O 0.94035986347767 0.85562677776771 0.82652751883697 15.999 > 29 65 Rb 0.00000000000000 0.25000000000000 0.25000000000000 85.468 > 65 66 Rb 0.50000000000000 0.25000000000000 0.25000000000000 85.468 > 65 67 Rb 0.00000000000000 0.75000000000000 0.25000000000000 85.468 > 65 68 Rb 0.50000000000000 0.75000000000000 0.25000000000000 85.468 > 65 69 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 69 70 Rb 0.50000000000000 0.00000000000000 0.00000000000000 85.468 > 69 71 Rb 0.00000000000000 0.50000000000000 0.00000000000000 85.468 > 69 72 Rb 0.50000000000000 0.50000000000000 0.00000000000000 85.468 > 69 73 Rb 0.25000000000000 0.00000000000000 0.75000000000000 85.468 > 65 74 Rb 0.75000000000000 0.00000000000000 0.75000000000000 85.468 > 65 75 Rb 0.25000000000000 0.50000000000000 0.75000000000000 85.468 > 65 76 Rb 0.75000000000000 0.50000000000000 0.75000000000000 85.468 > 65 77 Rb 0.25000000000000 0.25000000000000 0.50000000000000 85.468 > 69 78 Rb 0.75000000000000 0.25000000000000 0.50000000000000 85.468 > 69 79 Rb 0.25000000000000 0.75000000000000 0.50000000000000 85.468 > 69 80 Rb 0.75000000000000 0.75000000000000 0.50000000000000 85.468 > 69 81 Re 0.25000000000000 0.00000000000000 0.25000000000000 186.207 > 81 82 Re 0.75000000000000 0.00000000000000 0.25000000000000 186.207 > 81 83 Re 0.25000000000000 0.50000000000000 0.25000000000000 186.207 > 81 84 Re 0.75000000000000 0.50000000000000 0.25000000000000 186.207 > 81 85 Re 0.25000000000000 0.25000000000000 0.00000000000000 186.207 > 85 86 Re 0.75000000000000 0.25000000000000 0.00000000000000 186.207 > 85 87 Re 0.25000000000000 0.75000000000000 0.00000000000000 186.207 > 85 88 Re 0.75000000000000 0.75000000000000 0.00000000000000 186.207 > 85 89 Re 0.00000000000000 0.25000000000000 0.75000000000000 186.207 > 81 90 Re 0.50000000000000 0.25000000000000 0.75000000000000 186.207 > 81 91 Re 0.00000000000000 0.75000000000000 0.75000000000000 186.207 > 81 92 Re 0.50000000000000 0.75000000000000 0.75000000000000 186.207 > 81 93 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 85 94 Re 0.50000000000000 0.00000000000000 0.50000000000000 186.207 > 85 95 Re 0.00000000000000 0.50000000000000 0.50000000000000 186.207 > 85 96 Re 0.50000000000000 0.50000000000000 0.50000000000000 186.207 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6541448 0.0000003 0.0000000 -0.0000003 2.6541448 0.0000000 0.0000000 0.0000000 2.7555257 -------------------------- Born effective charges -------------------------- 1 O -0.8446681 0.4809138 0.4371159 0.5122278 -1.3258217 -0.6265420 0.3991923 -0.6952810 -1.1757458 2 O -1.3258217 -0.5122278 0.6265420 -0.4809138 -0.8446681 0.4371159 0.6952810 0.3991923 -1.1757458 3 O -1.3258217 -0.5122278 -0.6265420 -0.4809138 -0.8446681 -0.4371159 -0.6952810 -0.3991923 -1.1757458 4 O -0.8446681 0.4809138 -0.4371159 0.5122278 -1.3258217 0.6265420 -0.3991923 0.6952810 -1.1757458 5 O -0.8446681 0.4809138 -0.4371159 0.5122278 -1.3258217 0.6265420 -0.3991923 0.6952810 -1.1757458 6 O -1.3258217 -0.5122278 -0.6265420 -0.4809138 -0.8446681 -0.4371159 -0.6952810 -0.3991923 -1.1757458 7 O -1.3258217 -0.5122278 0.6265420 -0.4809138 -0.8446681 0.4371159 0.6952810 0.3991923 -1.1757458 8 O -0.8446681 0.4809138 0.4371159 0.5122278 -1.3258217 -0.6265420 0.3991923 -0.6952810 -1.1757458 9 Rb 1.4319324 -0.0576682 -0.0000000 0.0576682 1.4319324 0.0000000 0.0000000 0.0000000 1.3442902 10 Rb 1.4319324 -0.0576682 -0.0000000 0.0576682 1.4319324 0.0000000 0.0000000 0.0000000 1.3442902 11 Re 2.9090472 0.1202962 -0.0000000 -0.1202962 2.9090472 0.0000000 0.0000000 0.0000000 3.3586930 12 Re 2.9090472 0.1202962 -0.0000000 -0.1202962 2.9090472 0.0000000 0.0000000 0.0000000 3.3586930 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (xzy) 0.00000003 (xzy) 0.00000003 (xyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (yx) -0.00000005 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:59:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:59:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/a (88) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.955381540000000 2.955381540000000 6.522321150000000 b 2.955381540000000 -2.955381540000000 6.522321150000000 c 2.955381540000000 2.955381540000000 -6.522321150000000 Atomic positions (fractional): 1 O 0.21221892562760 0.54275275420769 0.90802671750924 15.999 2 O 0.29275275420769 0.88472603669846 0.83053382858009 15.999 3 O 0.05419220811837 0.46221892562760 0.16946617141991 15.999 4 O 0.63472603669845 0.30419220811837 0.09197328249077 15.999 5 O 0.11527396330154 0.94580779188163 0.40802671750923 15.999 6 O 0.69580779188163 0.78778107437240 0.33053382858009 15.999 7 O 0.45724724579231 0.36527396330154 0.66946617141991 15.999 8 O 0.53778107437240 0.70724724579231 0.59197328249077 15.999 9 Rb 0.75000000000000 0.25000000000000 0.50000000000000 85.468 10 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 11 Re 0.25000000000000 0.75000000000000 0.50000000000000 186.207 12 Re 0.50000000000000 0.50000000000000 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.821526160000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.821526160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.044642300000000 Atomic positions (fractional): 1 O 0.05964013652233 0.39437322223229 0.42347248116303 15.999 > 1 2 O 0.55964013652233 0.39437322223229 0.42347248116303 15.999 > 1 3 O 0.05964013652233 0.89437322223229 0.42347248116303 15.999 > 1 4 O 0.55964013652233 0.89437322223229 0.42347248116303 15.999 > 1 5 O 0.35562677776771 0.05964013652233 0.17347248116303 15.999 > 5 6 O 0.85562677776771 0.05964013652233 0.17347248116303 15.999 > 5 7 O 0.35562677776771 0.55964013652233 0.17347248116303 15.999 > 5 8 O 0.85562677776771 0.55964013652233 0.17347248116303 15.999 > 5 9 O 0.14437322223229 0.44035986347767 0.17347248116303 15.999 > 9 10 O 0.64437322223229 0.44035986347767 0.17347248116303 15.999 > 9 11 O 0.14437322223229 0.94035986347767 0.17347248116303 15.999 > 9 12 O 0.64437322223229 0.94035986347767 0.17347248116303 15.999 > 9 13 O 0.44035986347767 0.10562677776771 0.42347248116303 15.999 > 13 14 O 0.94035986347767 0.10562677776771 0.42347248116303 15.999 > 13 15 O 0.44035986347767 0.60562677776771 0.42347248116303 15.999 > 13 16 O 0.94035986347767 0.60562677776771 0.42347248116303 15.999 > 13 17 O 0.30964013652233 0.39437322223229 0.32652751883697 15.999 > 17 18 O 0.80964013652233 0.39437322223229 0.32652751883697 15.999 > 17 19 O 0.30964013652233 0.89437322223229 0.32652751883697 15.999 > 17 20 O 0.80964013652233 0.89437322223229 0.32652751883697 15.999 > 17 21 O 0.35562677776771 0.30964013652233 0.07652751883697 15.999 > 21 22 O 0.85562677776771 0.30964013652233 0.07652751883697 15.999 > 21 23 O 0.35562677776771 0.80964013652233 0.07652751883697 15.999 > 21 24 O 0.85562677776771 0.80964013652233 0.07652751883697 15.999 > 21 25 O 0.14437322223229 0.19035986347767 0.07652751883697 15.999 > 25 26 O 0.64437322223229 0.19035986347767 0.07652751883697 15.999 > 25 27 O 0.14437322223229 0.69035986347767 0.07652751883697 15.999 > 25 28 O 0.64437322223229 0.69035986347767 0.07652751883697 15.999 > 25 29 O 0.19035986347767 0.10562677776771 0.32652751883697 15.999 > 29 30 O 0.69035986347767 0.10562677776771 0.32652751883697 15.999 > 29 31 O 0.19035986347767 0.60562677776771 0.32652751883697 15.999 > 29 32 O 0.69035986347767 0.60562677776771 0.32652751883697 15.999 > 29 33 O 0.30964013652233 0.14437322223229 0.92347248116303 15.999 > 1 34 O 0.80964013652233 0.14437322223229 0.92347248116303 15.999 > 1 35 O 0.30964013652233 0.64437322223229 0.92347248116303 15.999 > 1 36 O 0.80964013652233 0.64437322223229 0.92347248116303 15.999 > 1 37 O 0.10562677776771 0.30964013652233 0.67347248116303 15.999 > 5 38 O 0.60562677776771 0.30964013652233 0.67347248116303 15.999 > 5 39 O 0.10562677776771 0.80964013652233 0.67347248116303 15.999 > 5 40 O 0.60562677776771 0.80964013652233 0.67347248116303 15.999 > 5 41 O 0.39437322223229 0.19035986347767 0.67347248116303 15.999 > 9 42 O 0.89437322223229 0.19035986347767 0.67347248116303 15.999 > 9 43 O 0.39437322223229 0.69035986347767 0.67347248116303 15.999 > 9 44 O 0.89437322223229 0.69035986347767 0.67347248116303 15.999 > 9 45 O 0.19035986347767 0.35562677776771 0.92347248116303 15.999 > 13 46 O 0.69035986347767 0.35562677776771 0.92347248116303 15.999 > 13 47 O 0.19035986347767 0.85562677776771 0.92347248116303 15.999 > 13 48 O 0.69035986347767 0.85562677776771 0.92347248116303 15.999 > 13 49 O 0.05964013652233 0.14437322223229 0.82652751883697 15.999 > 17 50 O 0.55964013652233 0.14437322223229 0.82652751883697 15.999 > 17 51 O 0.05964013652233 0.64437322223229 0.82652751883697 15.999 > 17 52 O 0.55964013652233 0.64437322223229 0.82652751883697 15.999 > 17 53 O 0.10562677776771 0.05964013652233 0.57652751883697 15.999 > 21 54 O 0.60562677776771 0.05964013652233 0.57652751883697 15.999 > 21 55 O 0.10562677776771 0.55964013652233 0.57652751883697 15.999 > 21 56 O 0.60562677776771 0.55964013652233 0.57652751883697 15.999 > 21 57 O 0.39437322223229 0.44035986347767 0.57652751883697 15.999 > 25 58 O 0.89437322223229 0.44035986347767 0.57652751883697 15.999 > 25 59 O 0.39437322223229 0.94035986347767 0.57652751883697 15.999 > 25 60 O 0.89437322223229 0.94035986347767 0.57652751883697 15.999 > 25 61 O 0.44035986347767 0.35562677776771 0.82652751883697 15.999 > 29 62 O 0.94035986347767 0.35562677776771 0.82652751883697 15.999 > 29 63 O 0.44035986347767 0.85562677776771 0.82652751883697 15.999 > 29 64 O 0.94035986347767 0.85562677776771 0.82652751883697 15.999 > 29 65 Rb 0.00000000000000 0.25000000000000 0.25000000000000 85.468 > 65 66 Rb 0.50000000000000 0.25000000000000 0.25000000000000 85.468 > 65 67 Rb 0.00000000000000 0.75000000000000 0.25000000000000 85.468 > 65 68 Rb 0.50000000000000 0.75000000000000 0.25000000000000 85.468 > 65 69 Rb 0.00000000000000 0.00000000000000 0.00000000000000 85.468 > 69 70 Rb 0.50000000000000 0.00000000000000 0.00000000000000 85.468 > 69 71 Rb 0.00000000000000 0.50000000000000 0.00000000000000 85.468 > 69 72 Rb 0.50000000000000 0.50000000000000 0.00000000000000 85.468 > 69 73 Rb 0.25000000000000 0.00000000000000 0.75000000000000 85.468 > 65 74 Rb 0.75000000000000 0.00000000000000 0.75000000000000 85.468 > 65 75 Rb 0.25000000000000 0.50000000000000 0.75000000000000 85.468 > 65 76 Rb 0.75000000000000 0.50000000000000 0.75000000000000 85.468 > 65 77 Rb 0.25000000000000 0.25000000000000 0.50000000000000 85.468 > 69 78 Rb 0.75000000000000 0.25000000000000 0.50000000000000 85.468 > 69 79 Rb 0.25000000000000 0.75000000000000 0.50000000000000 85.468 > 69 80 Rb 0.75000000000000 0.75000000000000 0.50000000000000 85.468 > 69 81 Re 0.25000000000000 0.00000000000000 0.25000000000000 186.207 > 81 82 Re 0.75000000000000 0.00000000000000 0.25000000000000 186.207 > 81 83 Re 0.25000000000000 0.50000000000000 0.25000000000000 186.207 > 81 84 Re 0.75000000000000 0.50000000000000 0.25000000000000 186.207 > 81 85 Re 0.25000000000000 0.25000000000000 0.00000000000000 186.207 > 85 86 Re 0.75000000000000 0.25000000000000 0.00000000000000 186.207 > 85 87 Re 0.25000000000000 0.75000000000000 0.00000000000000 186.207 > 85 88 Re 0.75000000000000 0.75000000000000 0.00000000000000 186.207 > 85 89 Re 0.00000000000000 0.25000000000000 0.75000000000000 186.207 > 81 90 Re 0.50000000000000 0.25000000000000 0.75000000000000 186.207 > 81 91 Re 0.00000000000000 0.75000000000000 0.75000000000000 186.207 > 81 92 Re 0.50000000000000 0.75000000000000 0.75000000000000 186.207 > 81 93 Re 0.00000000000000 0.00000000000000 0.50000000000000 186.207 > 85 94 Re 0.50000000000000 0.00000000000000 0.50000000000000 186.207 > 85 95 Re 0.00000000000000 0.50000000000000 0.50000000000000 186.207 > 85 96 Re 0.50000000000000 0.50000000000000 0.50000000000000 186.207 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6541448 0.0000003 0.0000000 -0.0000003 2.6541448 0.0000000 0.0000000 0.0000000 2.7555257 -------------------------- Born effective charges -------------------------- 1 O -0.8446681 0.4809138 0.4371159 0.5122278 -1.3258217 -0.6265420 0.3991923 -0.6952810 -1.1757458 2 O -1.3258217 -0.5122278 0.6265420 -0.4809138 -0.8446681 0.4371159 0.6952810 0.3991923 -1.1757458 3 O -1.3258217 -0.5122278 -0.6265420 -0.4809138 -0.8446681 -0.4371159 -0.6952810 -0.3991923 -1.1757458 4 O -0.8446681 0.4809138 -0.4371159 0.5122278 -1.3258217 0.6265420 -0.3991923 0.6952810 -1.1757458 5 O -0.8446681 0.4809138 -0.4371159 0.5122278 -1.3258217 0.6265420 -0.3991923 0.6952810 -1.1757458 6 O -1.3258217 -0.5122278 -0.6265420 -0.4809138 -0.8446681 -0.4371159 -0.6952810 -0.3991923 -1.1757458 7 O -1.3258217 -0.5122278 0.6265420 -0.4809138 -0.8446681 0.4371159 0.6952810 0.3991923 -1.1757458 8 O -0.8446681 0.4809138 0.4371159 0.5122278 -1.3258217 -0.6265420 0.3991923 -0.6952810 -1.1757458 9 Rb 1.4319324 -0.0576682 -0.0000000 0.0576682 1.4319324 0.0000000 0.0000000 0.0000000 1.3442902 10 Rb 1.4319324 -0.0576682 -0.0000000 0.0576682 1.4319324 0.0000000 0.0000000 0.0000000 1.3442902 11 Re 2.9090472 0.1202962 -0.0000000 -0.1202962 2.9090472 0.0000000 0.0000000 0.0000000 3.3586930 12 Re 2.9090472 0.1202962 -0.0000000 -0.1202962 2.9090472 0.0000000 0.0000000 0.0000000 3.3586930 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (xzy) 0.00000003 (xzy) 0.00000003 (xyz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 4 8 16 ] Grid generation matrix: [ 0 8 8 ] [ 8 0 8 ] [ 4 4 0 ] 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: 0.68, Number of G-points: 297, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/86) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 86 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 1.253 ( 0.000 -0.000 -0.000) 0.000 1.733 ( 0.000 0.000 0.000) 0.000 1.733 ( 0.000 0.000 -0.000) 0.000 2.171 ( 0.000 -0.000 -0.000) 0.000 2.171 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.185 ( -0.000 0.000 0.000) 0.000 2.663 ( -0.000 0.000 -0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.802 ( 0.000 0.000 0.000) 0.000 2.916 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 -0.000) 0.000 3.865 ( -0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 -0.000) 0.000 3.885 ( 0.000 -0.000 0.000) 0.000 8.782 ( 0.000 0.000 0.000) 0.000 9.082 ( -0.000 0.000 -0.000) 0.000 9.082 ( 0.000 0.000 -0.000) 0.000 9.528 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 9.942 ( 0.000 0.000 -0.000) 0.000 9.942 ( 0.000 0.000 -0.000) 0.000 10.103 ( -0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 -0.000) 0.000 10.352 ( 0.000 0.000 -0.000) 0.000 27.284 ( 0.000 0.000 -0.000) 0.000 27.295 ( 0.000 0.000 0.000) 0.000 27.295 ( -0.000 -0.000 0.000) 0.000 27.533 ( 0.000 -0.000 -0.000) 0.000 27.533 ( 0.000 -0.000 0.000) 0.000 27.886 ( 0.000 -0.000 -0.000) 0.000 29.358 ( 0.000 -0.000 0.000) 0.000 29.402 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/86) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 13.948 2.026 -0.563) 14.105 0.676 ( 13.280 3.146 7.003) 15.340 1.134 ( 17.454 -1.478 10.135) 20.237 1.307 ( -1.509 -1.726 3.700) 4.353 1.652 ( -1.609 -1.831 -3.107) 3.949 1.744 ( 0.711 -0.243 -2.989) 3.082 2.033 ( -4.882 1.535 2.259) 5.594 2.095 ( 0.432 2.975 -4.895) 5.745 2.318 ( 0.628 6.107 4.499) 7.611 2.442 ( 1.888 -6.949 -8.031) 10.786 2.645 ( -4.481 -4.955 1.325) 6.811 2.838 ( 2.352 -0.741 8.514) 8.864 2.976 ( 2.883 2.359 1.690) 4.090 3.147 ( -1.621 2.410 -6.662) 7.268 3.353 ( 1.543 -0.385 -2.476) 2.943 3.727 ( -2.702 1.285 -2.085) 3.647 3.813 ( -3.134 -3.020 -2.236) 4.893 3.963 ( 2.867 1.682 -2.204) 3.988 8.844 ( -0.629 -0.301 3.879) 3.941 9.090 ( 0.621 -0.160 -0.595) 0.875 9.324 ( 0.411 1.289 0.537) 1.456 9.581 ( 1.700 -0.328 0.776) 1.897 9.815 ( -4.167 -0.087 -0.200) 4.173 9.918 ( 2.183 -0.647 -0.040) 2.277 9.995 ( 1.406 1.401 0.668) 2.094 10.067 ( 0.109 -0.628 -0.512) 0.818 10.261 ( -3.218 1.506 0.214) 3.559 10.336 ( -0.708 -1.358 -0.140) 1.538 27.252 ( -1.432 -1.061 4.553) 4.890 27.343 ( 2.365 0.651 -2.401) 3.432 27.442 ( 4.215 1.622 -3.264) 5.572 27.533 ( -0.793 -1.972 2.914) 3.607 27.819 ( -4.128 -0.173 2.871) 5.031 28.653 ( -0.602 0.706 -2.516) 2.681 29.364 ( 0.176 -0.210 0.197) 0.337 29.402 ( -0.004 0.156 -0.155) 0.220 ======================= Grid point 2 (3/86) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.000 -0.000 0.000) 0.000 1.063 ( 0.000 0.000 -0.000) 0.000 1.261 ( 0.000 -0.000 -0.000) 0.000 1.462 ( 0.000 -0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.686 ( 0.000 -0.000 -0.000) 0.000 2.008 ( 0.000 -0.000 -0.000) 0.000 2.114 ( 0.000 -0.000 0.000) 0.000 2.317 ( 0.000 -0.000 -0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 -0.000 0.000) 0.000 3.138 ( 0.000 -0.000 -0.000) 0.000 3.254 ( 0.000 0.000 -0.000) 0.000 3.276 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 -0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 -0.000 -0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.343 ( 0.000 -0.000 0.000) 0.000 9.648 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.968 ( 0.000 0.000 -0.000) 0.000 10.086 ( -0.000 0.000 0.000) 0.000 10.099 ( 0.000 -0.000 -0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.292 ( 0.000 0.000 0.000) 0.000 27.329 ( -0.000 0.000 -0.000) 0.000 27.332 ( 0.000 -0.000 0.000) 0.000 27.503 ( 0.000 -0.000 0.000) 0.000 27.564 ( 0.000 0.000 -0.000) 0.000 27.733 ( 0.000 -0.000 0.000) 0.000 28.597 ( 0.000 -0.000 0.000) 0.000 29.374 ( 0.000 -0.000 0.000) 0.000 29.397 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/86) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 13.415 2.390 -0.000) 13.626 0.446 ( 10.944 9.839 -0.000) 14.717 0.700 ( 11.895 16.957 -0.000) 20.713 1.285 ( 0.477 2.784 -0.000) 2.825 1.724 ( -1.952 0.663 0.000) 2.061 1.749 ( 0.733 -0.716 -0.000) 1.025 2.102 ( -1.253 -5.030 0.000) 5.184 2.126 ( -2.469 -0.077 0.000) 2.470 2.179 ( 3.122 -3.885 -0.000) 4.984 2.578 ( 0.821 9.683 0.000) 9.718 2.681 ( 0.666 0.766 -0.000) 1.015 2.793 ( -4.845 2.412 0.000) 5.413 2.959 ( 5.020 -1.056 -0.000) 5.130 3.167 ( -3.549 -7.295 0.000) 8.112 3.348 ( 2.009 1.884 -0.000) 2.754 3.787 ( -2.261 -2.990 0.000) 3.749 3.860 ( -2.778 0.300 0.000) 2.794 3.955 ( 2.861 0.568 -0.000) 2.917 8.788 ( 0.165 0.470 -0.000) 0.498 9.094 ( 0.377 0.691 -0.000) 0.787 9.324 ( 0.681 -1.254 -0.000) 1.427 9.552 ( 1.093 1.288 -0.000) 1.689 9.892 ( -2.651 -1.511 0.000) 3.052 9.892 ( 1.690 1.469 -0.000) 2.239 9.935 ( 0.265 -0.915 -0.000) 0.952 10.086 ( -0.925 -0.470 0.000) 1.038 10.294 ( 0.056 -1.733 -0.000) 1.734 10.339 ( -0.851 0.764 0.000) 1.143 27.223 ( -0.855 0.284 0.000) 0.901 27.319 ( 1.265 1.054 -0.000) 1.647 27.428 ( 4.079 3.039 -0.000) 5.087 27.545 ( -0.174 1.274 0.000) 1.285 27.843 ( -1.929 -1.985 0.000) 2.768 28.656 ( -2.096 -2.992 0.000) 3.653 29.360 ( -0.005 0.133 0.000) 0.133 29.404 ( 0.084 0.010 -0.000) 0.084 ======================= Grid point 6 (5/86) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 13.689 5.009 -4.354) 15.213 0.993 ( 11.329 0.326 3.244) 11.788 1.222 ( -1.794 -0.001 2.342) 2.951 1.457 ( 8.363 2.390 3.240) 9.282 1.533 ( -4.266 -3.112 -0.829) 5.345 1.681 ( -2.128 -2.410 -0.354) 3.234 1.985 ( -3.055 0.185 3.051) 4.322 2.169 ( 4.581 -1.993 -3.455) 6.074 2.285 ( -6.293 -2.892 -6.095) 9.226 2.373 ( -0.324 -2.730 3.885) 4.760 2.616 ( -0.685 5.341 0.706) 5.431 2.752 ( -3.234 -2.853 5.480) 6.973 3.121 ( 3.354 3.238 0.119) 4.663 3.168 ( 4.238 -1.997 -0.301) 4.695 3.397 ( 1.273 2.172 -6.731) 7.186 3.619 ( -5.576 -5.686 -0.663) 7.992 3.716 ( -2.245 1.854 0.817) 3.024 4.018 ( 0.461 -0.760 -1.735) 1.949 8.834 ( 0.372 -0.318 2.389) 2.439 9.116 ( 0.770 0.898 -0.761) 1.407 9.349 ( 0.216 0.686 0.725) 1.022 9.627 ( 2.008 1.239 -0.037) 2.359 9.726 ( -3.427 -0.479 0.408) 3.484 9.953 ( 1.359 -0.870 -1.880) 2.478 10.048 ( 2.669 0.231 1.798) 3.226 10.057 ( 0.212 -0.216 0.900) 0.950 10.237 ( -3.576 2.577 -1.183) 4.564 10.279 ( -0.459 -2.107 -0.217) 2.167 27.233 ( 0.238 0.560 3.735) 3.784 27.425 ( 0.794 3.698 -1.618) 4.114 27.489 ( -0.715 0.200 1.027) 1.268 27.604 ( 5.262 2.642 -3.497) 6.849 27.722 ( -3.189 -1.215 1.905) 3.908 28.576 ( -1.791 -5.379 -0.869) 5.735 29.356 ( -0.106 -0.429 0.184) 0.479 29.411 ( 0.092 0.428 0.063) 0.442 ======================= Grid point 7 (6/86) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -8.661 3.009 -3.230) 9.721 1.034 ( -11.231 -2.292 -8.032) 13.997 1.336 ( 5.991 2.379 -2.982) 7.103 1.470 ( -0.482 0.261 -0.066) 0.552 1.623 ( 1.457 -1.363 1.228) 2.343 1.695 ( -0.415 -0.457 3.420) 3.475 1.929 ( -2.817 -2.886 3.325) 5.227 2.048 ( -0.803 -0.008 -6.590) 6.639 2.229 ( -0.029 -5.000 2.133) 5.436 2.472 ( 1.554 3.779 1.093) 4.230 2.629 ( 4.006 1.006 0.652) 4.181 2.841 ( 2.221 -3.491 7.346) 8.431 3.104 ( -1.842 -0.780 -8.876) 9.098 3.186 ( -7.490 2.335 -5.227) 9.427 3.302 ( 0.979 0.718 4.790) 4.941 3.563 ( 2.509 -2.653 3.207) 4.860 3.762 ( 2.758 2.202 3.065) 4.674 3.948 ( -2.997 -2.160 0.948) 3.814 8.881 ( 0.611 -0.066 -0.578) 0.844 9.107 ( -0.425 0.489 -0.467) 0.798 9.344 ( -0.151 0.569 -1.692) 1.792 9.646 ( -1.621 1.111 0.555) 2.042 9.729 ( 2.999 0.029 0.217) 3.007 9.947 ( -0.043 -2.166 -0.397) 2.203 10.025 ( -3.779 1.417 -1.194) 4.209 10.100 ( -0.270 0.162 -0.214) 0.381 10.176 ( 3.151 0.045 -0.492) 3.189 10.308 ( 1.241 -0.425 1.367) 1.894 27.343 ( -1.417 2.635 2.730) 4.050 27.362 ( -0.222 1.858 1.561) 2.436 27.404 ( -2.539 -0.755 -1.225) 2.919 27.618 ( -0.587 1.299 -0.275) 1.452 27.819 ( 5.511 1.118 -6.105) 8.300 28.523 ( -0.304 -5.886 2.323) 6.335 29.362 ( -0.116 -0.617 0.522) 0.817 29.409 ( 0.017 0.759 -0.309) 0.819 ======================= Grid point 8 (7/86) ======================= q-point: ( 0.00 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -9.738 7.428 -2.356) 12.472 0.462 ( -2.346 10.411 -9.869) 14.536 0.890 ( -12.855 10.686 -14.652) 22.229 1.335 ( -1.506 0.085 -4.942) 5.167 1.672 ( -0.873 -1.655 4.759) 5.114 1.713 ( -0.255 1.923 3.518) 4.017 2.047 ( 2.441 -1.127 4.547) 5.282 2.133 ( 3.446 -1.740 -1.787) 4.254 2.257 ( 2.533 0.582 -3.831) 4.629 2.473 ( -7.125 3.235 5.768) 9.721 2.714 ( -2.966 -3.767 -3.452) 5.908 2.873 ( -0.544 2.798 -3.881) 4.815 2.925 ( -0.932 2.679 1.927) 3.430 3.102 ( 4.972 -3.101 5.255) 7.871 3.338 ( -1.097 1.010 0.759) 1.674 3.758 ( 2.993 -1.978 2.994) 4.672 3.844 ( -1.011 -2.073 1.822) 2.939 3.923 ( -0.673 2.689 3.396) 4.383 8.862 ( 1.642 -1.773 -5.714) 6.204 9.085 ( -0.793 0.376 0.887) 1.248 9.313 ( -0.390 1.914 0.628) 2.052 9.562 ( -1.149 0.911 -0.954) 1.750 9.872 ( 1.459 -0.321 0.507) 1.578 9.907 ( -1.141 -2.196 0.030) 2.475 9.953 ( 1.177 1.397 -1.681) 2.483 10.067 ( -0.423 -0.017 1.412) 1.475 10.304 ( 2.243 -0.389 -0.748) 2.396 10.342 ( -0.372 -1.434 -0.015) 1.481 27.282 ( -0.625 -1.314 -0.796) 1.659 27.317 ( 0.800 1.262 -2.640) 3.033 27.393 ( -1.416 2.447 1.956) 3.438 27.564 ( -1.263 -0.554 -1.664) 2.161 27.876 ( 1.700 -2.060 -3.384) 4.311 28.622 ( 1.682 -0.910 3.256) 3.776 29.361 ( -0.036 -0.076 -0.100) 0.131 29.404 ( -0.108 0.204 -0.014) 0.232 ======================= Grid point 9 (8/86) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 11.632 1.713 -0.000) 11.757 0.859 ( 10.528 6.984 -0.000) 12.633 1.178 ( 4.615 9.687 -0.000) 10.730 1.406 ( 3.185 6.428 -0.000) 7.173 1.647 ( -6.442 -0.973 0.000) 6.515 1.678 ( -2.478 -3.151 0.000) 4.008 1.936 ( -1.296 -6.619 0.000) 6.744 2.143 ( 2.359 1.824 -0.000) 2.982 2.153 ( 1.921 -3.755 -0.000) 4.218 2.563 ( -14.642 -4.736 0.000) 15.389 2.709 ( 0.379 0.513 -0.000) 0.638 2.778 ( -0.667 6.093 0.000) 6.130 2.988 ( 1.952 -6.134 -0.000) 6.437 3.112 ( 6.427 4.282 -0.000) 7.723 3.469 ( 4.103 3.152 -0.000) 5.174 3.623 ( -5.129 -5.469 0.000) 7.498 3.787 ( -4.457 0.247 0.000) 4.464 3.987 ( 1.442 -2.583 -0.000) 2.959 8.815 ( 0.132 1.928 0.000) 1.932 9.117 ( 0.720 -0.374 -0.000) 0.812 9.320 ( 1.342 -0.370 -0.000) 1.392 9.632 ( 2.073 3.030 -0.000) 3.671 9.792 ( -3.299 -1.586 0.000) 3.661 9.915 ( 0.395 -1.617 -0.000) 1.664 9.979 ( 2.871 1.865 -0.000) 3.424 10.060 ( -0.864 0.305 0.000) 0.916 10.226 ( -0.362 -3.501 -0.000) 3.519 10.346 ( -1.126 1.041 0.000) 1.534 27.260 ( -0.821 4.194 0.000) 4.274 27.406 ( 4.690 1.987 -0.000) 5.094 27.569 ( 4.441 1.353 -0.000) 4.643 27.575 ( -0.851 2.182 0.000) 2.343 27.735 ( -2.746 -2.925 0.000) 4.012 28.498 ( -3.964 -5.731 0.000) 6.968 29.364 ( -0.290 0.562 0.000) 0.632 29.404 ( 0.223 -0.285 -0.000) 0.362 ======================= Grid point 10 (9/86) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -3.068 1.285 -0.266) 3.337 1.241 ( 8.894 -1.323 -2.849) 9.432 1.300 ( -0.246 0.424 -2.312) 2.363 1.346 ( 0.694 -3.631 -0.514) 3.732 1.533 ( -0.620 -1.881 -0.812) 2.141 1.623 ( -1.118 -0.867 4.393) 4.615 1.898 ( -1.992 -1.649 0.483) 2.631 2.096 ( -0.882 -6.654 -4.029) 7.828 2.180 ( 0.995 2.039 1.775) 2.881 2.393 ( 3.479 -0.908 4.748) 5.956 2.617 ( -1.999 0.710 -3.085) 3.744 2.724 ( -1.326 1.921 2.467) 3.396 3.163 ( 3.258 -2.977 2.027) 4.857 3.292 ( 2.344 4.041 -4.445) 6.448 3.338 ( -7.308 -6.434 1.102) 9.798 3.501 ( 2.642 2.507 -4.250) 5.597 3.714 ( -1.655 1.511 3.627) 4.263 3.947 ( -2.305 -3.432 -0.410) 4.154 8.853 ( 0.878 1.094 1.534) 2.079 9.125 ( -0.259 -1.246 -0.654) 1.431 9.397 ( 1.677 2.442 -0.940) 3.107 9.642 ( -2.423 -1.583 1.119) 3.102 9.716 ( 1.909 2.628 -0.287) 3.261 9.936 ( 0.261 -1.763 -1.866) 2.580 10.068 ( 0.351 0.524 2.710) 2.783 10.123 ( 2.733 0.996 -0.424) 2.939 10.191 ( -3.474 0.660 -0.924) 3.655 10.247 ( 0.015 -1.294 -0.213) 1.311 27.282 ( 1.171 2.438 2.967) 4.015 27.458 ( -3.730 3.762 0.321) 5.308 27.553 ( -0.922 4.134 -1.714) 4.569 27.623 ( -1.269 -0.766 1.548) 2.144 27.801 ( 8.408 0.655 -3.949) 9.312 28.362 ( -3.076 -9.487 0.729) 9.999 29.348 ( -0.287 0.178 0.344) 0.482 29.420 ( 0.317 -0.024 -0.063) 0.324 ======================= Grid point 11 (10/86) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -6.976 6.197 -2.615) 9.691 0.907 ( -2.218 8.530 -9.764) 13.153 1.380 ( -0.573 -3.528 -2.518) 4.372 1.452 ( -3.943 3.651 -2.470) 5.914 1.560 ( -0.405 -3.714 1.688) 4.100 1.668 ( 1.727 -1.409 1.182) 2.523 1.920 ( 1.780 2.140 4.714) 5.474 2.076 ( 3.818 -1.060 -6.143) 7.309 2.203 ( 0.250 -0.412 4.268) 4.295 2.476 ( -0.632 -2.363 -0.921) 2.614 2.718 ( 2.725 -2.639 2.433) 4.507 2.824 ( 3.215 -2.688 2.340) 4.800 3.047 ( -6.451 4.419 1.506) 7.963 3.117 ( -0.943 1.945 -8.093) 8.376 3.332 ( -0.202 1.207 2.491) 2.775 3.573 ( 3.438 -2.556 1.209) 4.451 3.816 ( -3.596 -2.861 2.906) 5.437 3.868 ( 2.335 2.643 4.568) 5.771 8.898 ( 0.841 -0.171 -2.447) 2.593 9.095 ( -0.923 -0.033 0.879) 1.275 9.367 ( -0.001 1.264 -2.421) 2.731 9.632 ( -1.530 1.087 0.565) 1.960 9.781 ( 1.603 -1.447 -0.885) 2.334 9.892 ( -0.326 -0.717 0.803) 1.125 10.024 ( -0.484 2.268 -1.183) 2.604 10.089 ( -1.104 0.203 -0.716) 1.331 10.237 ( 2.727 -0.281 -0.311) 2.759 10.295 ( -0.094 -2.355 2.011) 3.098 27.309 ( -1.974 0.423 -0.242) 2.033 27.413 ( -0.437 3.323 1.823) 3.815 27.446 ( -1.378 5.140 -0.113) 5.323 27.591 ( -1.485 -1.711 -0.164) 2.272 27.874 ( 0.581 -4.390 -6.473) 7.842 28.444 ( 4.725 -3.042 3.830) 6.801 29.353 ( 0.100 -0.126 0.347) 0.382 29.420 ( -0.153 0.295 -0.447) 0.557 ======================= Grid point 13 (11/86) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 9.231 1.878 -0.000) 9.420 1.122 ( 5.488 -0.631 -0.000) 5.524 1.290 ( -3.365 2.607 0.000) 4.257 1.438 ( -6.366 -3.270 0.000) 7.157 1.557 ( -1.896 -2.744 0.000) 3.336 1.600 ( -0.691 2.508 0.000) 2.602 1.853 ( 2.196 -0.732 -0.000) 2.315 2.103 ( 0.050 -1.753 -0.000) 1.754 2.204 ( -7.433 -1.445 0.000) 7.572 2.242 ( 2.717 0.851 -0.000) 2.847 2.714 ( -0.099 -0.039 0.000) 0.107 2.803 ( -3.891 1.473 0.000) 4.160 2.953 ( 5.614 -3.856 -0.000) 6.811 3.348 ( 4.346 5.918 -0.000) 7.343 3.353 ( -8.021 -6.015 0.000) 10.025 3.629 ( 4.029 3.234 -0.000) 5.166 3.682 ( -4.450 -1.383 0.000) 4.660 3.906 ( -1.053 -4.796 0.000) 4.911 8.878 ( 0.127 3.723 0.000) 3.725 9.076 ( -0.218 -3.797 -0.000) 3.803 9.397 ( 3.446 2.681 -0.000) 4.366 9.685 ( -3.784 -1.824 0.000) 4.200 9.749 ( 1.441 3.786 -0.000) 4.051 9.883 ( 0.460 -2.299 -0.000) 2.345 10.067 ( 0.151 1.914 0.000) 1.920 10.092 ( 3.187 1.863 -0.000) 3.692 10.153 ( 0.427 -3.164 -0.000) 3.193 10.316 ( -2.442 -0.605 0.000) 2.516 27.337 ( -1.025 4.851 0.000) 4.958 27.546 ( -2.237 -2.756 0.000) 3.549 27.620 ( 8.324 4.851 -0.000) 9.634 27.661 ( 3.541 -0.731 -0.000) 3.615 27.668 ( -1.883 2.272 0.000) 2.951 28.250 ( -5.942 -7.698 0.000) 9.725 29.372 ( -0.609 1.166 0.000) 1.315 29.399 ( 0.430 -0.882 -0.000) 0.981 ======================= Grid point 14 (12/86) ======================= q-point: ( 0.00 -0.75 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -3.163 2.554 1.102) 4.212 1.196 ( -0.318 -2.340 -3.970) 4.620 1.269 ( 2.256 -4.272 -0.001) 4.831 1.397 ( 0.965 0.382 -0.268) 1.072 1.472 ( -0.427 -1.957 2.263) 3.022 1.639 ( 3.079 1.624 2.308) 4.177 1.894 ( -0.703 -1.194 -3.451) 3.718 2.005 ( 4.467 -1.821 -3.961) 6.242 2.252 ( -1.855 1.135 1.693) 2.756 2.391 ( 1.909 -2.313 5.525) 6.286 2.634 ( -0.235 0.516 -3.733) 3.776 2.744 ( 2.194 1.155 -0.301) 2.498 3.069 ( -6.097 -4.346 5.446) 9.258 3.215 ( 5.070 0.195 0.077) 5.075 3.393 ( -0.628 3.767 -5.782) 6.929 3.582 ( 1.676 -1.349 -4.016) 4.556 3.708 ( -1.794 1.766 4.319) 4.999 3.835 ( -1.195 -1.235 2.740) 3.234 8.916 ( 1.039 2.375 0.189) 2.599 9.064 ( -0.264 -3.083 0.479) 3.131 9.463 ( -1.928 0.754 -2.920) 3.580 9.595 ( 1.735 0.263 2.091) 2.729 9.802 ( 1.400 1.756 -0.766) 2.373 9.891 ( -0.913 -2.107 -1.471) 2.727 10.078 ( -0.930 1.055 2.230) 2.636 10.124 ( -2.620 -0.036 0.070) 2.622 10.202 ( -0.145 -2.728 0.757) 2.835 10.217 ( 2.313 1.942 -1.308) 3.291 27.370 ( 0.753 3.293 0.260) 3.388 27.477 ( -1.593 3.847 1.100) 4.306 27.525 ( -1.904 -0.936 0.795) 2.266 27.650 ( -2.493 3.660 -0.230) 4.435 27.909 ( -1.173 -5.372 -6.809) 8.752 28.161 ( 6.157 -4.348 4.627) 8.845 29.354 ( -0.210 0.813 0.196) 0.862 29.421 ( 0.454 -0.677 -0.190) 0.837 ======================= Grid point 15 (13/86) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -3.627 11.960 -0.915) 12.531 1.081 ( -0.255 5.638 -5.165) 7.650 1.278 ( -0.696 -2.755 -3.159) 4.249 1.467 ( 0.794 -0.194 0.557) 0.989 1.541 ( 3.702 -1.395 0.557) 3.995 1.677 ( -0.323 1.153 -0.470) 1.286 2.022 ( 1.202 0.702 1.067) 1.754 2.117 ( -3.142 2.819 2.911) 5.127 2.190 ( 7.140 -2.861 0.405) 7.703 2.442 ( -0.572 -0.801 -2.807) 2.974 2.631 ( -3.363 -2.501 -0.564) 4.229 2.817 ( 3.213 -2.970 -0.035) 4.375 3.083 ( 0.741 3.375 4.595) 5.750 3.193 ( -0.249 4.081 -3.914) 5.660 3.331 ( -2.711 1.149 -1.135) 3.156 3.598 ( 4.734 -4.186 1.397) 6.472 3.696 ( -2.915 -0.534 2.826) 4.095 3.967 ( 1.465 2.218 3.612) 4.485 8.891 ( -0.123 -0.950 -3.314) 3.449 9.091 ( -0.223 0.909 1.743) 1.978 9.366 ( -0.884 -0.490 -0.931) 1.375 9.636 ( -0.870 1.521 -0.876) 1.959 9.734 ( -0.183 -2.725 -0.523) 2.781 9.927 ( 1.750 1.283 0.684) 2.275 10.054 ( -1.257 1.386 0.308) 1.896 10.087 ( 0.285 1.220 -0.822) 1.499 10.209 ( -1.402 -3.828 1.536) 4.356 10.278 ( 1.607 -0.292 -0.178) 1.643 27.308 ( -0.143 1.262 -2.734) 3.015 27.413 ( -5.237 -0.263 -1.250) 5.390 27.480 ( -0.361 1.778 2.190) 2.844 27.560 ( -0.879 2.111 0.437) 2.328 27.761 ( 1.196 -4.897 -2.158) 5.483 28.543 ( 5.208 -0.320 2.535) 5.801 29.361 ( 0.585 0.137 -0.266) 0.657 29.412 ( -0.753 -0.098 -0.010) 0.759 ======================= Grid point 16 (14/86) ======================= q-point: ( 0.00 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -0.065 11.857 -1.283) 11.927 0.927 ( -0.424 13.188 -2.298) 13.394 1.301 ( 2.405 -2.384 -0.404) 3.411 1.469 ( 2.307 4.767 -0.074) 5.296 1.629 ( -0.078 -2.203 -0.572) 2.278 1.708 ( -2.543 -2.777 -1.979) 4.254 1.917 ( -1.019 0.250 -2.478) 2.691 2.053 ( -3.005 2.081 5.305) 6.443 2.231 ( -2.911 0.181 -2.108) 3.599 2.543 ( 1.838 -1.567 6.294) 6.742 2.632 ( 1.572 -5.764 -0.213) 5.979 2.872 ( -1.541 -3.519 -7.279) 8.230 2.999 ( -3.450 0.977 0.994) 3.720 3.114 ( 3.800 8.402 -1.890) 9.413 3.410 ( 1.494 1.296 5.617) 5.955 3.610 ( -3.949 -3.145 1.347) 5.225 3.793 ( 2.503 -4.607 0.385) 5.257 3.954 ( -2.991 0.740 -0.156) 3.085 8.868 ( 0.756 1.701 -0.626) 1.964 9.095 ( -0.133 -0.705 -0.678) 0.987 9.319 ( 0.321 0.885 -0.943) 1.332 9.651 ( 2.056 2.593 0.177) 3.315 9.740 ( 0.172 -3.102 0.630) 3.169 9.947 ( -2.224 0.162 0.355) 2.258 10.004 ( 0.116 2.980 -1.075) 3.170 10.086 ( 0.353 0.704 -0.743) 1.083 10.163 ( -0.399 -3.687 -0.767) 3.787 10.335 ( 0.329 -1.138 1.134) 1.639 27.317 ( 4.663 1.918 -2.403) 5.585 27.402 ( 0.748 2.761 2.798) 4.001 27.475 ( -1.025 1.665 5.015) 5.383 27.591 ( 3.215 0.223 -2.430) 4.036 27.718 ( -0.844 -4.533 -4.122) 6.185 28.549 ( -6.212 -1.610 0.509) 6.437 29.372 ( -0.141 0.385 0.553) 0.688 29.401 ( 0.317 -0.159 -0.455) 0.577 ======================= Grid point 17 (15/86) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -0.307 -3.867 -0.000) 3.879 1.087 ( 0.307 3.867 0.000) 3.879 1.287 ( -3.644 -0.869 0.000) 3.746 1.287 ( 3.644 0.869 -0.000) 3.746 1.541 ( -3.690 0.996 0.000) 3.822 1.541 ( 3.690 -0.996 -0.000) 3.822 1.978 ( -5.919 -2.389 0.000) 6.383 1.978 ( 5.919 2.389 -0.000) 6.383 2.239 ( -1.699 -2.565 0.000) 3.076 2.239 ( 1.699 2.565 -0.000) 3.076 2.733 ( -1.900 -0.694 0.000) 2.023 2.733 ( 1.900 0.694 -0.000) 2.023 3.083 ( -7.713 -2.515 0.000) 8.112 3.083 ( 7.713 2.515 -0.000) 8.112 3.538 ( -3.926 -3.882 0.000) 5.522 3.538 ( 3.926 3.882 -0.000) 5.522 3.771 ( -2.539 -3.914 0.000) 4.665 3.771 ( 2.539 3.914 -0.000) 4.665 8.974 ( -0.395 -4.675 -0.000) 4.691 8.974 ( 0.395 4.675 0.000) 4.691 9.547 ( -4.418 -2.859 0.000) 5.263 9.547 ( 4.418 2.859 -0.000) 5.263 9.835 ( 0.141 -3.056 -0.000) 3.059 9.835 ( -0.141 3.056 0.000) 3.059 10.107 ( 0.666 -2.527 -0.000) 2.613 10.107 ( -0.666 2.527 0.000) 2.613 10.217 ( -3.908 -2.026 0.000) 4.402 10.217 ( 3.908 2.026 -0.000) 4.402 27.430 ( -0.725 -4.367 0.000) 4.427 27.430 ( 0.725 4.367 -0.000) 4.427 27.685 ( 2.991 -3.235 -0.000) 4.405 27.685 ( -2.991 3.235 0.000) 4.405 27.935 ( -7.709 -7.905 0.000) 11.042 27.935 ( 7.709 7.905 -0.000) 11.042 29.386 ( 0.627 -1.342 -0.000) 1.481 29.386 ( -0.627 1.342 0.000) 1.481 ======================= Grid point 19 (16/86) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -0.791 -6.169 1.297) 6.353 1.113 ( 2.644 -3.875 4.022) 6.179 1.275 ( -1.156 0.822 -4.183) 4.417 1.443 ( 0.000 3.571 -2.535) 4.380 1.489 ( 1.698 4.654 0.553) 4.985 1.716 ( 2.382 -2.215 1.116) 3.439 1.911 ( 3.610 -0.940 2.525) 4.505 2.048 ( 1.584 -1.718 -4.062) 4.687 2.193 ( -0.727 0.261 -0.582) 0.968 2.432 ( 4.456 0.079 5.331) 6.948 2.609 ( -1.697 0.383 -4.931) 5.229 2.841 ( 0.726 1.522 -1.617) 2.336 2.931 ( -0.342 -0.253 7.740) 7.751 3.330 ( 0.072 -0.927 -3.472) 3.594 3.430 ( 1.011 1.055 1.207) 1.895 3.502 ( -0.527 -2.325 -6.577) 6.996 3.735 ( -1.697 4.323 2.224) 5.149 3.878 ( 3.130 1.152 2.881) 4.407 8.931 ( -0.789 -1.901 -2.068) 2.918 9.051 ( 1.268 1.257 2.681) 3.221 9.382 ( -2.428 -1.889 -0.125) 3.078 9.673 ( 1.555 1.887 -0.849) 2.588 9.772 ( -3.308 -2.286 -1.842) 4.423 9.886 ( 2.386 0.543 0.400) 2.480 10.069 ( -1.127 -1.521 1.663) 2.520 10.096 ( -0.502 2.361 1.281) 2.732 10.133 ( -0.682 -2.473 0.932) 2.730 10.297 ( 0.953 1.926 -1.667) 2.720 27.427 ( -1.141 1.992 -3.028) 3.800 27.458 ( -1.238 -2.260 0.100) 2.579 27.535 ( -2.130 0.838 0.388) 2.322 27.635 ( -3.528 2.527 2.094) 4.818 27.674 ( -2.092 -4.701 -0.879) 5.220 28.348 ( 9.394 1.219 1.273) 9.558 29.368 ( 0.064 0.521 -0.552) 0.762 29.411 ( 0.000 -0.643 0.378) 0.746 ======================= Grid point 35 (17/86) ======================= q-point: ( 0.06 -0.06 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( -12.784 -7.343 0.000) 14.743 0.317 ( -14.979 -0.408 0.000) 14.985 0.528 ( -24.252 3.370 0.000) 24.485 1.262 ( -0.693 1.143 0.000) 1.337 1.724 ( 0.964 0.748 -0.000) 1.220 1.752 ( -1.548 -0.455 0.000) 1.614 2.117 ( 4.701 -0.455 -0.000) 4.723 2.164 ( 0.494 0.095 -0.000) 0.504 2.210 ( -2.092 -5.340 0.000) 5.735 2.493 ( -3.282 6.758 0.000) 7.513 2.671 ( -0.546 0.037 0.000) 0.547 2.753 ( 3.935 1.749 -0.000) 4.306 2.932 ( -0.942 -2.223 0.000) 2.414 3.277 ( 1.928 -1.431 -0.000) 2.402 3.327 ( -1.865 0.005 0.000) 1.865 3.815 ( 3.040 -0.311 -0.000) 3.056 3.878 ( 0.957 1.631 -0.000) 1.891 3.929 ( -2.590 -1.304 0.000) 2.900 8.785 ( -0.326 0.080 0.000) 0.336 9.087 ( -0.368 0.217 0.000) 0.427 9.327 ( 0.342 -1.065 -0.000) 1.119 9.540 ( -1.133 0.063 0.000) 1.135 9.875 ( -1.620 -0.062 0.000) 1.621 9.901 ( 3.462 0.261 -0.000) 3.472 9.954 ( -1.040 -0.269 0.000) 1.074 10.095 ( 0.712 0.214 -0.000) 0.743 10.297 ( 0.601 -0.508 -0.000) 0.787 10.342 ( 0.534 0.460 -0.000) 0.705 27.225 ( 2.184 0.312 -0.000) 2.206 27.316 ( -2.001 0.131 0.000) 2.006 27.380 ( -4.625 -0.472 0.000) 4.649 27.523 ( 0.917 0.689 -0.000) 1.147 27.860 ( 2.348 -0.022 -0.000) 2.348 28.702 ( 0.782 -0.421 -0.000) 0.888 29.359 ( -0.079 0.036 0.000) 0.087 29.403 ( -0.051 -0.019 0.000) 0.055 ======================= Grid point 36 (18/86) ======================= q-point: ( 0.06 0.19 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 7.565 -0.739 7.657) 10.790 0.418 ( 10.552 3.213 10.897) 15.505 0.746 ( 18.222 -1.215 16.367) 24.524 1.322 ( -0.216 -0.532 5.985) 6.012 1.670 ( -0.341 -0.891 -5.012) 5.102 1.704 ( 2.329 0.773 -4.663) 5.269 2.092 ( -0.547 -0.056 -4.238) 4.273 2.136 ( -2.455 1.489 -0.825) 2.988 2.299 ( 0.802 3.221 5.760) 6.648 2.363 ( 5.607 -4.096 -3.796) 7.914 2.740 ( -4.693 -4.826 2.518) 7.187 2.809 ( -0.289 3.947 4.780) 6.206 2.915 ( 2.851 0.201 -1.956) 3.463 3.167 ( 1.015 0.424 -7.504) 7.585 3.327 ( 0.637 0.022 0.161) 0.658 3.786 ( -2.714 0.473 -3.005) 4.077 3.851 ( -0.626 -1.465 -3.013) 3.409 3.899 ( 2.878 0.969 -3.111) 4.348 8.892 ( -4.840 -0.022 6.774) 8.325 9.077 ( 0.474 -0.260 -0.911) 1.060 9.291 ( 3.674 0.706 -1.926) 4.208 9.551 ( 1.002 -0.072 1.103) 1.492 9.874 ( 0.365 0.366 0.256) 0.577 9.910 ( -3.084 -0.967 0.588) 3.285 9.967 ( 1.096 0.722 1.122) 1.727 10.063 ( 0.420 -0.172 -2.604) 2.643 10.313 ( -1.347 0.538 1.249) 1.914 10.354 ( -1.507 -0.534 0.264) 1.620 27.284 ( 0.442 -0.876 -1.118) 1.488 27.304 ( 1.441 1.010 -0.750) 1.913 27.402 ( -4.005 0.541 5.137) 6.536 27.549 ( -0.619 -0.950 2.303) 2.567 27.892 ( -2.470 -0.143 3.239) 4.076 28.641 ( 2.249 0.309 -4.717) 5.235 29.361 ( 0.068 -0.032 0.223) 0.236 29.402 ( 0.042 0.033 -0.140) 0.150 ======================= Grid point 37 (19/86) ======================= q-point: ( 0.06 0.44 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 11.297 1.825 2.806) 11.783 1.071 ( 8.832 0.943 6.646) 11.093 1.288 ( -5.598 -1.612 3.067) 6.584 1.471 ( 2.588 0.251 1.241) 2.881 1.611 ( -1.298 -2.389 -0.513) 2.767 1.682 ( 0.416 -0.916 -2.942) 3.109 2.003 ( -0.274 3.098 0.083) 3.111 2.058 ( 3.455 1.445 -1.328) 3.974 2.346 ( 0.948 -4.505 -3.041) 5.517 2.373 ( -2.066 3.910 2.797) 5.233 2.590 ( -2.616 -1.036 0.988) 2.982 2.881 ( -2.670 -1.102 -5.627) 6.325 3.107 ( 2.440 -1.089 4.199) 4.977 3.169 ( 6.105 1.417 3.992) 7.431 3.295 ( -1.066 0.408 -1.192) 1.650 3.620 ( -2.432 2.525 -4.273) 5.527 3.704 ( -1.807 -3.245 -1.765) 4.112 3.976 ( 2.789 0.498 -2.461) 3.753 8.886 ( -0.940 0.345 2.115) 2.340 9.094 ( 0.787 -0.500 -0.576) 1.096 9.347 ( -0.271 0.718 1.036) 1.290 9.629 ( 1.266 -0.299 0.780) 1.517 9.732 ( -2.794 0.124 -0.403) 2.826 9.962 ( 0.892 -1.182 0.710) 1.642 10.022 ( 2.697 1.450 -0.727) 3.147 10.095 ( 0.756 -0.346 0.566) 1.006 10.184 ( -3.796 0.820 -0.206) 3.889 10.304 ( -1.053 -0.809 -0.546) 1.436 27.320 ( 1.068 -1.227 0.668) 1.759 27.333 ( -0.177 1.731 0.631) 1.850 27.453 ( 3.267 2.539 -2.777) 4.983 27.573 ( -0.419 -2.264 1.770) 2.904 27.791 ( -4.641 -1.476 3.411) 5.945 28.595 ( 0.276 0.558 -2.551) 2.626 29.372 ( 0.156 -0.082 0.229) 0.289 29.397 ( -0.044 0.155 -0.230) 0.281 ======================= Grid point 38 (20/86) ======================= q-point: ( 0.06 -0.31 -0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -14.023 -3.456 3.232) 14.800 0.964 ( -13.592 -2.112 -3.945) 14.310 1.248 ( 4.148 2.228 -0.896) 4.793 1.435 ( -8.994 0.426 -2.798) 9.429 1.598 ( 2.633 2.673 -0.990) 3.880 1.722 ( 2.360 1.133 0.741) 2.721 1.952 ( 2.261 -2.265 -2.467) 4.041 2.136 ( -2.863 -3.880 4.852) 6.841 2.306 ( 1.734 -2.606 -3.625) 4.789 2.463 ( -0.240 4.893 7.879) 9.278 2.563 ( 2.584 2.148 -1.327) 3.613 2.841 ( 2.662 4.592 -8.443) 9.973 3.053 ( -3.578 -3.079 -1.760) 5.038 3.148 ( -2.924 -3.724 2.086) 5.174 3.383 ( -1.084 0.796 5.799) 5.953 3.674 ( 2.483 -2.270 0.996) 3.509 3.723 ( 4.973 4.091 0.631) 6.470 4.006 ( -0.874 -1.713 0.706) 2.049 8.849 ( -0.999 0.935 -1.555) 2.072 9.100 ( -0.245 -0.471 0.073) 0.535 9.329 ( -0.244 -1.020 -0.802) 1.320 9.621 ( -2.044 0.642 -0.041) 2.143 9.734 ( 3.210 0.319 -0.136) 3.229 9.963 ( -1.629 0.186 0.846) 1.845 10.031 ( -2.270 -1.548 -0.471) 2.787 10.072 ( -0.432 0.870 -0.977) 1.378 10.185 ( 3.883 -1.905 -0.023) 4.326 10.317 ( 1.009 1.366 0.606) 1.803 27.247 ( -0.710 1.904 -3.430) 3.987 27.384 ( -1.132 -0.131 3.251) 3.445 27.519 ( 0.354 2.806 -2.282) 3.634 27.536 ( -4.019 -3.470 3.507) 6.363 27.733 ( 3.431 -0.191 -2.742) 4.397 28.628 ( 1.630 -0.755 0.879) 2.000 29.368 ( -0.256 0.546 -0.153) 0.622 29.401 ( 0.136 -0.365 0.129) 0.411 ======================= Grid point 40 (21/86) ======================= q-point: ( 0.06 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 13.384 6.816 -3.302) 15.378 0.724 ( 13.145 0.731 6.732) 14.786 1.146 ( 11.641 3.450 11.088) 16.442 1.327 ( 0.116 3.298 3.238) 4.623 1.620 ( -3.343 -0.881 -3.510) 4.926 1.724 ( -1.293 -1.675 -1.464) 2.573 2.051 ( -1.373 0.257 -1.155) 1.813 2.086 ( 0.907 -4.099 -0.852) 4.284 2.303 ( 2.616 -4.921 -0.474) 5.593 2.458 ( -4.523 4.479 -3.935) 7.484 2.647 ( -2.364 5.324 2.194) 6.224 2.828 ( -3.895 -0.678 8.486) 9.362 3.024 ( 4.986 2.283 -1.711) 5.744 3.105 ( 2.303 -5.267 -4.089) 7.054 3.366 ( 1.519 1.512 -3.536) 4.135 3.706 ( -2.947 -3.906 -1.939) 5.263 3.782 ( -3.535 0.974 -0.726) 3.738 3.983 ( 2.576 -0.082 -3.019) 3.970 8.837 ( -0.628 -0.182 3.918) 3.973 9.097 ( 0.819 0.808 -0.899) 1.460 9.342 ( 0.715 -0.027 0.681) 0.988 9.589 ( 1.598 1.208 0.556) 2.079 9.808 ( -4.150 -0.635 -0.145) 4.201 9.915 ( 1.829 0.138 -1.421) 2.320 9.996 ( 2.287 -0.724 2.126) 3.206 10.061 ( -0.428 0.121 -0.115) 0.459 10.293 ( -0.687 -2.523 0.099) 2.617 10.301 ( -2.429 1.860 -0.731) 3.146 27.245 ( -1.380 0.585 3.718) 4.009 27.369 ( 3.264 1.370 -0.187) 3.545 27.482 ( 4.743 2.266 -4.104) 6.669 27.534 ( -1.621 1.757 1.591) 2.871 27.807 ( -4.088 -1.050 2.672) 4.995 28.604 ( -0.980 -4.693 -1.934) 5.169 29.358 ( -0.106 -0.164 0.038) 0.199 29.408 ( 0.169 0.277 0.158) 0.361 ======================= Grid point 41 (22/86) ======================= q-point: ( 0.06 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -7.154 -0.008 -0.577) 7.178 1.149 ( 9.763 4.241 -0.946) 10.686 1.254 ( -6.040 -0.763 -1.965) 6.397 1.425 ( 2.117 -2.712 0.512) 3.479 1.564 ( 2.885 -2.613 -1.289) 4.101 1.701 ( 0.214 1.056 2.990) 3.178 2.006 ( -2.680 -1.513 2.285) 3.833 2.094 ( -3.102 -1.379 -4.252) 5.440 2.213 ( 2.481 -5.362 -0.315) 5.917 2.437 ( 0.663 2.513 3.285) 4.188 2.591 ( -0.533 0.774 -1.099) 1.446 2.799 ( 1.165 -2.043 4.076) 4.706 3.119 ( 0.256 -1.380 -8.534) 8.648 3.255 ( 1.793 0.438 3.310) 3.790 3.333 ( -2.884 3.908 0.290) 4.865 3.529 ( -0.554 -4.190 1.835) 4.608 3.711 ( 1.713 1.889 -0.137) 2.553 3.986 ( -0.480 -1.988 -1.381) 2.468 8.878 ( -0.297 0.196 1.637) 1.675 9.107 ( 0.435 0.192 -1.415) 1.492 9.352 ( -0.618 0.897 -0.313) 1.134 9.670 ( 1.161 1.832 0.673) 2.271 9.689 ( -1.010 -0.526 0.784) 1.383 9.944 ( 0.357 -1.883 -0.591) 2.006 10.083 ( 0.589 0.275 -0.431) 0.779 10.113 ( -0.068 -0.257 -0.623) 0.677 10.129 ( -1.706 1.839 -0.894) 2.663 10.284 ( 0.877 -0.717 0.906) 1.451 27.336 ( 1.237 0.834 4.423) 4.667 27.389 ( -1.737 4.672 -0.269) 4.992 27.466 ( -2.392 -1.204 0.261) 2.691 27.623 ( 1.135 3.332 -1.629) 3.879 27.717 ( 2.450 -1.321 -2.476) 3.725 28.533 ( -0.574 -5.861 -0.328) 5.898 29.363 ( 0.026 -0.589 0.556) 0.811 29.409 ( -0.087 0.704 -0.251) 0.752 ======================= Grid point 43 (23/86) ======================= q-point: ( 0.06 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -9.056 4.750 -6.152) 11.934 0.658 ( -12.207 3.055 -1.397) 12.661 1.186 ( -13.156 3.479 -9.381) 16.528 1.369 ( -1.735 2.924 -2.264) 4.084 1.676 ( 1.244 -0.246 2.942) 3.204 1.730 ( -1.100 -1.856 2.164) 3.055 1.979 ( 4.822 -2.181 -0.159) 5.294 2.048 ( 2.160 -1.062 2.446) 3.432 2.228 ( 0.360 -2.044 -3.612) 4.166 2.554 ( -0.985 2.476 7.545) 8.001 2.765 ( 4.432 2.166 0.266) 4.940 2.889 ( -6.567 4.792 -2.805) 8.599 2.931 ( 1.233 -1.820 -7.635) 7.945 3.033 ( 0.621 -5.010 5.168) 7.225 3.373 ( -1.961 1.303 2.817) 3.671 3.684 ( 3.695 -2.833 2.534) 5.302 3.857 ( 0.926 0.193 0.716) 1.187 3.931 ( -0.751 -0.405 2.463) 2.607 8.847 ( -0.208 -0.026 -3.181) 3.187 9.099 ( -0.333 0.542 0.394) 0.748 9.311 ( 0.103 0.330 -0.996) 1.054 9.599 ( -2.247 1.305 -0.615) 2.670 9.813 ( 3.562 -0.362 0.925) 3.698 9.943 ( -0.150 -1.569 -0.480) 1.648 9.947 ( -2.315 0.738 -0.564) 2.495 10.075 ( -0.360 0.002 -0.173) 0.400 10.240 ( 3.485 -0.601 -0.419) 3.561 10.349 ( 0.078 -0.138 0.662) 0.681 27.288 ( -0.544 1.839 -4.121) 4.546 27.339 ( -2.679 0.185 2.212) 3.479 27.439 ( -2.077 2.126 4.231) 5.170 27.583 ( -0.562 1.620 -1.843) 2.517 27.814 ( 4.008 -0.847 -3.955) 5.694 28.585 ( 1.779 -4.762 1.823) 5.400 29.364 ( -0.305 -0.150 0.169) 0.380 29.404 ( 0.081 0.293 -0.206) 0.367 ======================= Grid point 44 (24/86) ======================= q-point: ( 0.06 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 2.552 11.334 -0.000) 11.618 0.679 ( 5.838 11.592 -0.000) 12.979 1.074 ( 4.041 16.899 -0.000) 17.375 1.348 ( 3.346 2.910 -0.000) 4.435 1.706 ( -0.053 -2.679 -0.000) 2.679 1.752 ( -3.033 0.191 0.000) 3.039 1.961 ( -1.458 -6.751 0.000) 6.906 2.136 ( -1.306 0.973 0.000) 1.629 2.138 ( -1.589 -0.400 0.000) 1.639 2.693 ( 0.996 0.173 -0.000) 1.011 2.732 ( 3.918 0.872 -0.000) 4.014 2.823 ( -8.535 -3.431 0.000) 9.199 2.871 ( 12.399 1.897 -0.000) 12.543 3.089 ( -7.062 -1.059 0.000) 7.141 3.404 ( 1.961 3.264 -0.000) 3.808 3.708 ( -2.915 -4.190 0.000) 5.104 3.861 ( -1.550 -1.087 0.000) 1.893 3.954 ( 0.584 -0.232 -0.000) 0.628 8.810 ( 0.383 1.723 -0.000) 1.765 9.103 ( 0.557 -0.067 -0.000) 0.561 9.302 ( 0.135 -0.465 -0.000) 0.484 9.593 ( 1.491 2.496 -0.000) 2.907 9.825 ( 0.121 -3.930 -0.000) 3.932 9.933 ( 1.385 2.307 -0.000) 2.691 9.941 ( -2.546 0.862 0.000) 2.688 10.077 ( -0.535 -0.285 0.000) 0.606 10.235 ( -0.562 -3.511 0.000) 3.556 10.354 ( 0.260 0.295 -0.000) 0.393 27.244 ( 2.405 1.743 -0.000) 2.970 27.364 ( -0.592 3.110 0.000) 3.166 27.491 ( 2.551 2.833 -0.000) 3.812 27.554 ( 2.707 -0.274 -0.000) 2.721 27.775 ( -1.241 -4.217 0.000) 4.396 28.600 ( -5.252 -2.370 0.000) 5.762 29.366 ( 0.076 0.477 -0.000) 0.483 29.402 ( 0.005 -0.186 -0.000) 0.186 ======================= Grid point 45 (25/86) ======================= q-point: ( 0.06 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 11.491 -1.637 3.374) 12.087 1.042 ( 10.217 4.271 -3.496) 11.612 1.253 ( -1.351 2.599 3.058) 4.234 1.473 ( -6.738 -2.657 -2.235) 7.580 1.518 ( 3.003 2.773 -0.563) 4.126 1.630 ( -0.946 -2.106 1.728) 2.884 1.946 ( -1.727 -3.621 3.730) 5.478 2.083 ( 1.768 -4.105 -6.149) 7.602 2.237 ( -4.038 -2.013 -1.461) 4.743 2.341 ( -1.163 -0.488 6.022) 6.153 2.675 ( -2.812 -0.024 -1.923) 3.407 2.761 ( -2.286 2.699 1.746) 3.944 3.087 ( 4.031 -4.173 2.726) 6.411 3.213 ( 4.648 4.974 -1.836) 7.051 3.452 ( 1.895 2.482 -6.714) 7.405 3.490 ( -6.323 -6.187 -0.130) 8.848 3.755 ( -2.344 1.833 2.975) 4.208 3.972 ( -0.076 -3.467 -2.297) 4.160 8.843 ( 0.138 1.304 2.264) 2.616 9.123 ( 0.438 -0.707 -0.875) 1.207 9.362 ( 1.529 0.950 0.757) 1.953 9.666 ( 1.199 1.742 -0.858) 2.282 9.717 ( -2.832 0.088 0.797) 2.944 9.924 ( 0.865 -1.772 -1.307) 2.366 10.054 ( 2.197 0.638 1.544) 2.759 10.068 ( 0.904 1.072 1.050) 1.751 10.224 ( -0.219 -2.692 0.406) 2.731 10.285 ( -2.773 1.351 -2.024) 3.689 27.269 ( -0.062 2.811 2.468) 3.741 27.510 ( 3.844 3.346 -0.927) 5.180 27.534 ( -2.613 3.935 0.434) 4.743 27.638 ( 6.450 0.495 -3.456) 7.335 27.689 ( -4.146 -1.310 2.456) 4.994 28.424 ( -2.812 -8.357 -0.612) 8.839 29.354 ( -0.280 0.278 -0.030) 0.396 29.415 ( 0.196 -0.131 0.313) 0.392 ======================= Grid point 46 (26/86) ======================= q-point: ( 0.06 -0.56 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -6.152 6.058 -0.703) 8.662 1.005 ( -8.098 0.655 -8.503) 11.760 1.351 ( 4.293 -1.708 -1.752) 4.942 1.470 ( 2.145 -1.153 1.615) 2.922 1.577 ( 1.821 -2.217 2.044) 3.523 1.648 ( -2.249 -2.932 0.265) 3.705 1.903 ( -0.420 0.034 4.389) 4.409 2.011 ( 1.663 -3.655 -5.759) 7.021 2.204 ( -0.305 2.180 0.735) 2.321 2.487 ( -0.139 -2.482 -0.105) 2.489 2.614 ( 5.075 -0.848 0.618) 5.183 2.792 ( 0.676 -1.641 4.859) 5.173 3.110 ( 0.092 1.377 -9.483) 9.583 3.216 ( -7.086 0.147 1.301) 7.206 3.324 ( 0.824 1.464 5.237) 5.500 3.516 ( 2.259 -1.723 -1.250) 3.104 3.800 ( 3.151 1.369 4.495) 5.658 3.891 ( -2.670 -2.860 -0.374) 3.930 8.888 ( 0.134 0.776 -0.025) 0.788 9.104 ( -0.002 -0.850 -0.614) 1.049 9.372 ( -0.489 1.908 -2.116) 2.891 9.657 ( -0.584 -0.585 2.124) 2.279 9.745 ( 1.383 1.635 -0.576) 2.218 9.902 ( -0.391 -1.754 -0.654) 1.912 10.057 ( -2.447 1.468 -1.556) 3.251 10.108 ( -0.750 0.731 -0.457) 1.142 10.180 ( 2.550 0.228 -0.816) 2.687 10.286 ( 0.923 -1.698 2.319) 3.019 27.356 ( -1.868 -0.469 1.465) 2.420 27.426 ( -0.351 4.618 3.989) 6.112 27.473 ( -2.472 5.305 -1.835) 6.134 27.620 ( -1.070 -0.822 0.353) 1.395 27.829 ( 3.981 -0.584 -6.944) 8.025 28.372 ( 1.706 -7.610 2.334) 8.141 29.354 ( -0.187 -0.040 0.669) 0.695 29.419 ( 0.172 0.152 -0.533) 0.580 ======================= Grid point 48 (27/86) ======================= q-point: ( 0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 3.256 9.177 -0.000) 9.737 0.998 ( 5.431 5.648 -0.000) 7.836 1.333 ( -0.267 3.586 0.000) 3.596 1.557 ( 3.765 7.731 -0.000) 8.599 1.571 ( -5.849 -5.977 0.000) 8.363 1.602 ( -1.544 -4.743 0.000) 4.988 1.852 ( -1.884 -0.143 0.000) 1.889 2.104 ( -0.450 -1.362 0.000) 1.434 2.188 ( 1.942 2.402 -0.000) 3.089 2.431 ( -12.519 -6.338 0.000) 14.032 2.708 ( 0.711 -0.566 -0.000) 0.909 2.806 ( 5.260 -1.706 -0.000) 5.529 2.923 ( -4.365 -1.145 0.000) 4.513 3.237 ( 6.564 6.945 -0.000) 9.556 3.506 ( -6.352 -5.360 0.000) 8.311 3.539 ( 3.958 3.253 -0.000) 5.123 3.772 ( -3.433 -2.269 0.000) 4.115 3.915 ( -0.375 -3.633 -0.000) 3.652 8.875 ( 0.288 3.601 0.000) 3.612 9.081 ( -0.221 -2.772 -0.000) 2.780 9.337 ( 2.163 1.814 -0.000) 2.823 9.707 ( 2.479 3.917 -0.000) 4.636 9.743 ( -1.386 -2.794 0.000) 3.119 9.895 ( -1.931 -0.516 0.000) 1.999 10.019 ( 2.440 1.800 -0.000) 3.032 10.079 ( -0.197 1.537 0.000) 1.550 10.149 ( 0.009 -3.669 -0.000) 3.669 10.347 ( -0.633 -0.877 0.000) 1.082 27.368 ( -0.824 5.520 0.000) 5.581 27.453 ( 5.904 1.926 -0.000) 6.210 27.587 ( -0.895 -1.524 0.000) 1.768 27.594 ( 3.078 1.670 -0.000) 3.502 27.668 ( 1.233 -2.864 -0.000) 3.118 28.395 ( -7.628 -3.913 0.000) 8.573 29.382 ( -0.208 1.088 0.000) 1.108 29.394 ( 0.100 -0.744 -0.000) 0.751 ======================= Grid point 49 (28/86) ======================= q-point: ( 0.06 0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.446 -0.307 2.042) 2.113 1.180 ( 2.223 -4.363 -1.915) 5.257 1.283 ( -3.717 -0.687 -3.733) 5.312 1.301 ( 4.058 -0.911 2.262) 4.734 1.521 ( -1.971 0.498 0.125) 2.037 1.595 ( 0.240 -1.507 2.996) 3.362 1.885 ( 2.411 0.452 -2.792) 3.716 1.978 ( -2.574 -4.280 -5.327) 7.302 2.241 ( 2.096 3.366 4.579) 6.057 2.361 ( 1.287 -1.947 5.529) 6.001 2.648 ( -1.115 1.957 -4.482) 5.016 2.735 ( -1.175 -1.023 -0.654) 1.690 3.110 ( 4.655 -1.244 2.893) 5.620 3.206 ( -6.515 -5.424 2.295) 8.783 3.394 ( 0.705 5.056 -3.855) 6.397 3.529 ( 2.390 -0.145 -4.073) 4.724 3.749 ( -1.843 1.807 3.181) 4.097 3.865 ( -1.262 -3.910 0.116) 4.110 8.899 ( 0.563 3.162 1.275) 3.456 9.069 ( -0.329 -3.765 -0.239) 3.787 9.462 ( 2.291 3.474 -1.290) 4.356 9.598 ( -2.356 -2.551 0.065) 3.473 9.778 ( 0.813 3.081 0.615) 3.245 9.894 ( 0.397 -2.252 -0.766) 2.411 10.088 ( -0.088 1.287 2.352) 2.682 10.151 ( 2.277 1.085 -0.756) 2.633 10.175 ( 0.411 -1.103 0.431) 1.254 10.230 ( -2.939 -0.776 -1.532) 3.404 27.351 ( 0.815 3.915 1.641) 4.323 27.502 ( -1.675 -1.001 -0.344) 1.982 27.606 ( -4.204 2.209 1.097) 4.875 27.669 ( 0.552 3.596 -1.114) 3.805 27.817 ( 8.230 2.155 -2.297) 8.812 28.148 ( -3.492 -10.313 0.949) 10.929 29.361 ( -0.397 1.004 0.190) 1.096 29.410 ( 0.455 -0.865 -0.057) 0.979 ======================= Grid point 50 (29/86) ======================= q-point: ( 0.06 -0.56 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -3.314 9.677 1.457) 10.332 1.084 ( 0.001 5.736 -5.654) 8.054 1.308 ( -1.348 -1.159 -2.048) 2.712 1.436 ( 2.494 -8.340 1.240) 8.793 1.486 ( 0.241 0.163 2.352) 2.370 1.677 ( 0.755 2.146 -2.557) 3.423 1.966 ( 3.706 1.637 5.279) 6.655 2.034 ( 5.966 -3.319 -4.693) 8.284 2.201 ( -3.348 0.303 2.034) 3.929 2.440 ( 0.316 -0.072 -3.537) 3.552 2.637 ( 1.886 -4.310 1.794) 5.035 2.786 ( 0.962 -0.950 -1.058) 1.717 3.103 ( -2.610 0.682 6.759) 7.278 3.187 ( 0.264 4.215 -5.207) 6.704 3.380 ( -1.047 3.300 0.983) 3.599 3.502 ( 3.264 -4.392 -1.974) 5.817 3.763 ( -2.965 -1.823 2.468) 4.267 3.915 ( 3.186 1.569 3.417) 4.928 8.895 ( -0.395 -0.173 -2.829) 2.862 9.094 ( 0.261 0.089 2.001) 2.019 9.385 ( -1.066 0.349 -1.545) 1.909 9.650 ( 0.111 0.550 0.781) 0.962 9.748 ( -1.408 -1.304 -2.538) 3.182 9.894 ( 1.235 0.572 1.452) 1.990 10.069 ( -0.412 2.018 -0.105) 2.063 10.096 ( -1.138 0.357 -0.996) 1.554 10.232 ( 0.138 -2.625 1.388) 2.973 10.241 ( 1.170 -0.193 0.412) 1.255 27.324 ( -1.333 1.156 -2.800) 3.310 27.485 ( -2.222 2.399 1.850) 3.757 27.545 ( -2.627 -2.008 -0.457) 3.338 27.572 ( -1.833 6.532 2.469) 7.219 27.754 ( -0.758 -6.237 -4.125) 7.516 28.395 ( 8.185 -1.751 2.459) 8.724 29.354 ( 0.023 0.185 -0.003) 0.186 29.421 ( -0.058 -0.178 -0.293) 0.348 ======================= Grid point 52 (30/86) ======================= q-point: ( 0.06 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 3.131 7.821 -0.000) 8.424 1.064 ( 1.002 -4.005 -0.000) 4.128 1.300 ( -2.787 -1.064 0.000) 2.983 1.403 ( -4.748 0.270 0.000) 4.755 1.490 ( 0.867 -3.594 -0.000) 3.697 1.630 ( -4.220 0.369 0.000) 4.236 1.880 ( 2.370 2.876 -0.000) 3.727 2.082 ( -2.127 -1.204 0.000) 2.444 2.216 ( -1.694 2.471 0.000) 2.996 2.256 ( 0.087 0.460 -0.000) 0.468 2.707 ( 0.833 -0.591 -0.000) 1.021 2.793 ( -3.789 -1.919 0.000) 4.248 2.929 ( 6.829 1.652 -0.000) 7.026 3.249 ( -7.777 -3.600 0.000) 8.570 3.461 ( 3.518 4.419 -0.000) 5.648 3.625 ( -4.029 -3.992 0.000) 5.672 3.698 ( 4.293 3.404 -0.000) 5.479 3.808 ( -1.220 -4.247 0.000) 4.419 8.968 ( 0.238 4.592 0.000) 4.598 8.988 ( -0.982 -4.160 0.000) 4.274 9.456 ( 3.988 2.677 -0.000) 4.803 9.633 ( -3.426 -3.057 0.000) 4.591 9.832 ( 0.745 4.002 -0.000) 4.071 9.841 ( -1.041 -1.628 0.000) 1.932 10.091 ( 0.825 -2.693 -0.000) 2.817 10.107 ( 1.811 1.538 -0.000) 2.376 10.138 ( 2.073 2.548 -0.000) 3.285 10.283 ( -2.276 -2.251 0.000) 3.201 27.434 ( -1.143 4.048 0.000) 4.206 27.461 ( -2.096 -4.611 0.000) 5.065 27.582 ( 6.089 -4.175 -0.000) 7.383 27.696 ( 1.797 -0.367 -0.000) 1.834 27.796 ( 5.774 9.302 -0.000) 10.948 28.123 ( -9.819 -3.925 0.000) 10.575 29.376 ( 0.297 -1.223 -0.000) 1.258 29.400 ( -0.567 1.327 0.000) 1.443 ======================= Grid point 53 (31/86) ======================= q-point: ( 0.06 0.19 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -2.574 -6.274 3.122) 7.465 1.084 ( -0.251 2.788 1.926) 3.398 1.261 ( 1.570 1.272 -3.258) 3.834 1.400 ( 4.341 -0.196 -1.094) 4.481 1.496 ( -1.676 3.593 0.861) 4.057 1.639 ( 4.113 -1.669 0.736) 4.499 1.856 ( 0.117 -1.244 -1.136) 1.689 2.000 ( 3.311 0.679 -6.598) 7.414 2.244 ( -3.344 -1.683 3.970) 5.457 2.358 ( 2.401 -0.867 6.154) 6.663 2.646 ( -1.869 0.825 -4.599) 5.032 2.768 ( 4.035 1.208 -2.379) 4.837 3.007 ( -4.922 -1.320 6.703) 8.420 3.249 ( 5.842 2.855 -0.487) 6.520 3.444 ( -1.809 -0.130 -1.291) 2.226 3.521 ( 0.215 -2.972 -6.631) 7.269 3.763 ( -1.284 3.046 2.916) 4.408 3.826 ( 1.689 0.404 1.725) 2.448 8.950 ( -1.139 -1.266 -1.116) 2.036 9.018 ( 1.764 1.002 2.113) 2.929 9.448 ( -3.757 -1.878 -0.606) 4.244 9.619 ( 3.451 1.861 -1.120) 4.077 9.824 ( -1.449 -1.488 -0.818) 2.232 9.852 ( 0.871 0.289 0.941) 1.315 10.105 ( -1.702 -0.317 1.143) 2.074 10.112 ( -1.091 0.774 0.737) 1.527 10.148 ( -1.136 -2.151 1.006) 2.632 10.263 ( 2.289 2.057 -2.004) 3.673 27.418 ( -0.049 -1.284 -1.194) 1.754 27.481 ( 1.680 1.584 1.097) 2.556 27.581 ( -4.300 3.568 0.466) 5.607 27.702 ( -0.315 -0.374 -0.173) 0.518 27.771 ( -7.494 -6.025 -1.532) 9.736 28.140 ( 9.874 2.342 1.293) 10.230 29.372 ( -0.468 0.661 -0.317) 0.870 29.403 ( 0.673 -0.736 0.280) 1.036 ======================= Grid point 56 (32/86) ======================= q-point: ( 0.06 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -2.234 8.051 2.168) 8.632 1.171 ( -0.862 -2.309 -0.489) 2.513 1.221 ( 1.770 7.987 1.372) 8.295 1.439 ( 0.007 -4.111 0.840) 4.196 1.550 ( -3.248 -5.474 0.161) 6.367 1.719 ( 1.726 1.666 -1.811) 3.006 1.955 ( -0.219 2.400 -3.835) 4.529 2.090 ( -2.603 -0.645 0.803) 2.800 2.231 ( -3.871 0.865 2.464) 4.669 2.494 ( 0.160 -2.514 1.270) 2.821 2.582 ( 1.030 1.121 1.543) 2.168 2.798 ( 1.752 -3.041 -5.075) 6.171 3.003 ( -4.696 0.074 -1.866) 5.054 3.277 ( 3.095 5.488 0.043) 6.301 3.423 ( 1.404 0.004 6.800) 6.944 3.555 ( -3.719 -1.816 0.667) 4.192 3.688 ( 2.528 -4.569 -1.980) 5.584 3.945 ( -2.935 -1.664 -2.474) 4.184 8.912 ( 1.174 2.215 1.714) 3.037 9.074 ( -1.005 -1.130 -1.784) 2.338 9.346 ( 0.957 1.590 -0.317) 1.883 9.686 ( 0.530 -1.982 0.573) 2.130 9.706 ( 2.147 2.439 1.163) 3.451 9.946 ( -2.868 -0.393 0.692) 2.976 10.056 ( 0.037 1.155 -1.829) 2.163 10.092 ( -0.046 -2.540 -1.600) 3.002 10.116 ( 0.854 2.585 -0.166) 2.727 10.307 ( -0.033 -1.351 1.118) 1.754 27.346 ( 4.320 0.172 -1.282) 4.509 27.441 ( 3.781 1.267 3.583) 5.362 27.510 ( -2.922 0.283 3.964) 4.933 27.569 ( 3.558 -2.401 -3.443) 5.503 27.681 ( -2.199 2.723 -1.689) 3.886 28.517 ( -6.101 -1.394 -1.065) 6.348 29.374 ( -0.463 -0.262 0.591) 0.795 29.403 ( 0.716 0.350 -0.417) 0.899 ======================= Grid point 57 (33/86) ======================= q-point: ( 0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.063 0.615 0.000) 0.618 1.201 ( -1.761 5.946 0.000) 6.201 1.276 ( -5.340 -0.354 0.000) 5.352 1.324 ( 3.774 2.590 -0.000) 4.578 1.527 ( 5.089 0.131 -0.000) 5.090 1.552 ( -1.524 0.025 0.000) 1.524 1.934 ( -5.003 -1.798 0.000) 5.316 2.039 ( 4.918 3.395 -0.000) 5.976 2.186 ( -3.567 -1.904 0.000) 4.044 2.286 ( -1.120 1.926 0.000) 2.228 2.712 ( -0.241 -1.321 0.000) 1.343 2.730 ( 2.817 -1.338 -0.000) 3.118 3.078 ( -6.000 1.908 0.000) 6.296 3.177 ( 8.310 6.077 -0.000) 10.295 3.438 ( -4.384 -5.177 0.000) 6.784 3.596 ( 3.601 1.674 -0.000) 3.971 3.694 ( -1.995 -3.610 0.000) 4.125 3.862 ( 3.105 4.524 -0.000) 5.487 8.886 ( -0.751 -3.417 0.000) 3.498 9.070 ( 0.374 4.064 0.000) 4.081 9.478 ( -3.987 -3.524 0.000) 5.321 9.596 ( 4.355 1.839 -0.000) 4.727 9.775 ( -1.270 -2.598 0.000) 2.891 9.902 ( -1.060 3.163 0.000) 3.336 10.059 ( 0.639 -1.992 -0.000) 2.092 10.162 ( -0.107 2.504 0.000) 2.507 10.169 ( -3.480 -2.294 0.000) 4.168 10.246 ( 3.797 0.658 -0.000) 3.854 27.334 ( -0.699 -4.482 -0.000) 4.536 27.505 ( 1.466 1.897 -0.000) 2.397 27.595 ( 4.491 -3.932 -0.000) 5.969 27.681 ( -0.111 -3.858 -0.000) 3.859 27.844 ( -10.754 -0.539 0.000) 10.768 28.135 ( 5.296 10.373 -0.000) 11.647 29.359 ( 0.538 -1.091 -0.000) 1.217 29.411 ( -0.624 0.875 0.000) 1.075 ======================= Grid point 58 (34/86) ======================= q-point: ( 0.06 0.19 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -3.477 -7.934 6.157) 10.627 0.980 ( -5.220 -7.665 -1.560) 9.404 1.329 ( 0.324 0.496 0.189) 0.622 1.506 ( -0.074 0.526 -2.277) 2.338 1.594 ( 2.248 4.445 0.050) 4.981 1.634 ( 3.882 -3.387 1.813) 5.462 1.894 ( 1.162 0.570 4.286) 4.477 2.026 ( -0.022 -0.055 -5.983) 5.984 2.208 ( -0.416 0.765 0.575) 1.043 2.458 ( 8.236 2.434 2.242) 8.876 2.652 ( -1.286 3.386 -3.224) 4.849 2.861 ( 1.850 0.046 -0.632) 1.956 2.945 ( -0.915 1.464 5.872) 6.120 3.232 ( -5.366 -6.912 -0.482) 8.763 3.445 ( -1.623 -0.771 -6.622) 6.861 3.511 ( 5.056 3.316 -0.427) 6.061 3.819 ( 0.409 2.296 2.727) 3.589 3.897 ( 1.661 1.639 -1.566) 2.810 8.881 ( -0.488 -2.332 0.523) 2.439 9.090 ( 0.392 1.842 0.796) 2.044 9.344 ( -2.002 -1.433 0.820) 2.595 9.689 ( -0.655 -1.800 -1.426) 2.388 9.743 ( -0.389 1.071 -0.127) 1.147 9.897 ( 1.718 0.524 0.128) 1.801 10.029 ( -1.894 -1.976 1.045) 2.930 10.090 ( -0.173 -1.323 1.055) 1.701 10.160 ( -0.086 3.219 1.033) 3.382 10.329 ( 0.939 0.927 -1.815) 2.243 27.369 ( 1.499 -4.484 -0.099) 4.729 27.451 ( -6.527 -1.711 0.177) 6.750 27.520 ( -3.741 -0.223 -4.709) 6.018 27.618 ( 0.735 -0.747 0.673) 1.245 27.715 ( -0.303 3.188 4.575) 5.585 28.395 ( 7.591 3.378 -0.261) 8.313 29.369 ( 0.114 -0.420 -0.824) 0.932 29.406 ( -0.070 0.181 0.803) 0.826 ======================= Grid point 60 (35/86) ======================= q-point: ( 0.06 0.69 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.133 -5.371 2.218) 5.812 1.180 ( 1.123 -0.287 3.697) 3.875 1.331 ( -1.066 -1.470 0.842) 2.002 1.382 ( -1.856 4.756 -4.264) 6.652 1.479 ( 0.092 3.310 1.304) 3.558 1.701 ( -2.270 -3.360 -0.431) 4.078 1.912 ( -2.070 -0.680 0.504) 2.236 2.084 ( -0.997 1.481 -1.769) 2.513 2.201 ( 0.340 0.625 4.206) 4.266 2.439 ( -2.318 0.883 -3.974) 4.685 2.633 ( -0.068 1.808 1.629) 2.435 2.807 ( -1.868 -1.510 0.995) 2.600 2.960 ( 2.827 2.438 -6.440) 7.444 3.311 ( -2.897 -1.162 5.158) 6.029 3.380 ( -0.048 -3.752 2.076) 4.289 3.577 ( 1.300 2.828 5.351) 6.191 3.672 ( 2.245 -0.894 -6.266) 6.716 3.838 ( -1.676 -2.411 -4.762) 5.595 8.942 ( -1.227 -0.670 1.803) 2.282 9.056 ( 0.498 1.413 -1.727) 2.287 9.417 ( 2.033 1.227 1.602) 2.865 9.632 ( -1.363 -1.980 -1.121) 2.653 9.810 ( 1.883 1.153 3.569) 4.197 9.878 ( -1.241 -0.010 -0.208) 1.258 10.054 ( 0.950 -1.509 -1.799) 2.533 10.090 ( 0.862 0.391 -1.231) 1.553 10.198 ( 0.329 3.392 -0.802) 3.502 10.258 ( -1.593 -1.447 1.026) 2.384 27.366 ( 1.653 -3.110 1.551) 3.848 27.439 ( 0.286 -3.975 -2.411) 4.658 27.538 ( -1.705 0.876 -0.312) 1.942 27.568 ( 4.986 -2.179 0.720) 5.489 27.838 ( 3.674 8.941 4.212) 10.544 28.336 ( -8.603 -0.089 -3.274) 9.206 29.354 ( -0.280 -0.607 0.028) 0.669 29.425 ( 0.201 0.477 0.118) 0.531 ======================= Grid point 61 (36/86) ======================= q-point: ( 0.06 -0.06 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -12.927 2.112 0.000) 13.098 1.093 ( -10.861 -3.000 0.000) 11.268 1.215 ( 0.653 -3.217 -0.000) 3.283 1.503 ( 6.587 2.385 -0.000) 7.006 1.513 ( -5.608 -5.412 0.000) 7.794 1.616 ( 3.002 3.136 -0.000) 4.341 1.907 ( 1.124 3.438 -0.000) 3.617 2.184 ( -0.595 5.740 0.000) 5.771 2.224 ( -4.733 -0.667 0.000) 4.780 2.267 ( 11.821 4.126 -0.000) 12.520 2.704 ( 0.884 -0.996 -0.000) 1.332 2.731 ( 2.790 -5.213 -0.000) 5.913 3.062 ( -3.978 5.712 0.000) 6.961 3.225 ( -4.821 -5.428 0.000) 7.260 3.491 ( 7.316 6.720 -0.000) 9.934 3.558 ( -3.721 -3.479 0.000) 5.094 3.694 ( 4.086 0.084 -0.000) 4.087 3.995 ( 0.819 3.291 -0.000) 3.392 8.820 ( -0.440 -1.617 0.000) 1.676 9.130 ( -0.415 0.933 0.000) 1.021 9.355 ( -2.051 -1.077 0.000) 2.316 9.677 ( -2.108 -2.942 0.000) 3.620 9.711 ( 4.029 0.733 -0.000) 4.095 9.936 ( -1.284 2.682 0.000) 2.974 10.034 ( -0.517 -1.274 0.000) 1.375 10.059 ( -2.374 -1.104 0.000) 2.618 10.220 ( 0.176 3.040 0.000) 3.045 10.305 ( 2.704 -1.588 -0.000) 3.136 27.244 ( 0.331 -3.659 -0.000) 3.674 27.520 ( -4.982 -3.747 0.000) 6.234 27.530 ( 3.073 -3.681 -0.000) 4.795 27.663 ( 3.744 1.688 -0.000) 4.107 27.678 ( -6.193 -0.166 0.000) 6.195 28.427 ( 3.125 8.498 -0.000) 9.055 29.355 ( 0.507 -0.430 -0.000) 0.665 29.411 ( -0.399 0.236 0.000) 0.464 ======================= Grid point 63 (37/86) ======================= q-point: ( 0.06 0.44 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 4.645 -8.339 6.224) 11.395 0.882 ( 0.717 -10.827 9.013) 14.106 1.360 ( 3.263 -5.734 1.993) 6.891 1.371 ( 0.322 1.320 8.139) 8.252 1.566 ( -0.825 1.012 -0.834) 1.549 1.686 ( 0.022 -0.109 -2.763) 2.765 1.968 ( -2.504 -2.693 -4.850) 6.087 2.107 ( 1.955 1.255 -1.313) 2.668 2.243 ( -4.284 2.134 -0.902) 4.870 2.468 ( 0.663 1.202 2.402) 2.767 2.688 ( 4.105 2.985 1.167) 5.208 2.886 ( -0.894 1.200 -6.572) 6.740 2.998 ( -2.483 -2.514 2.261) 4.195 3.092 ( 1.338 -5.036 4.458) 6.857 3.323 ( 0.469 0.230 -0.272) 0.589 3.655 ( -3.840 1.452 -3.071) 5.127 3.739 ( 3.207 2.823 -3.919) 5.798 3.901 ( -0.649 -3.635 -5.296) 6.456 8.917 ( -0.681 1.476 3.926) 4.250 9.073 ( 0.729 -0.680 -1.466) 1.773 9.363 ( 0.634 -1.058 1.554) 1.984 9.605 ( 0.785 -1.394 0.801) 1.789 9.801 ( -0.313 3.476 -0.493) 3.525 9.898 ( -0.941 -1.099 -0.184) 1.459 10.025 ( 0.155 -1.621 0.588) 1.731 10.066 ( 0.737 -0.701 0.564) 1.163 10.281 ( 0.481 2.797 -1.014) 3.014 10.294 ( -1.903 1.250 -0.124) 2.280 27.281 ( 0.608 -1.441 -0.360) 1.605 27.387 ( 3.560 -4.164 -2.574) 6.053 27.423 ( -0.778 -0.058 3.007) 3.107 27.568 ( 0.432 1.574 1.739) 2.385 27.877 ( -0.303 5.500 4.526) 7.129 28.544 ( -3.916 -0.266 -4.321) 5.837 29.359 ( -0.504 0.039 0.043) 0.508 29.411 ( 0.699 -0.196 0.122) 0.736 ======================= Grid point 64 (38/86) ======================= q-point: ( 0.06 0.69 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 4.680 -1.705 2.413) 5.535 1.185 ( 5.403 -0.312 9.013) 10.513 1.379 ( -2.872 3.511 0.964) 4.637 1.439 ( -1.892 2.883 -1.722) 3.854 1.520 ( -0.926 2.252 -3.415) 4.194 1.601 ( 0.150 -0.895 -4.474) 4.565 1.889 ( -0.595 -0.828 3.270) 3.425 2.083 ( -0.879 4.654 -0.455) 4.758 2.213 ( -0.309 -1.931 3.537) 4.041 2.447 ( -1.446 2.587 -4.303) 5.224 2.621 ( -2.200 -0.500 1.042) 2.485 2.710 ( -0.652 -2.114 -3.073) 3.787 3.173 ( 7.512 4.833 -1.684) 9.090 3.233 ( -3.372 0.970 -1.706) 3.901 3.318 ( 0.193 -2.181 8.285) 8.570 3.561 ( -2.404 -2.734 2.845) 4.621 3.687 ( 0.598 -0.535 -6.628) 6.676 3.878 ( 3.960 2.454 -1.587) 4.921 8.882 ( -1.806 -0.678 -0.478) 1.988 9.112 ( 1.009 1.147 0.158) 1.536 9.425 ( -0.775 -2.300 3.321) 4.113 9.603 ( 1.078 0.750 -3.405) 3.649 9.766 ( -2.745 -1.490 1.473) 3.453 9.930 ( 1.062 1.736 2.278) 3.055 10.063 ( 1.439 -0.467 -1.844) 2.385 10.108 ( 2.171 -1.338 0.290) 2.567 10.188 ( -2.553 -0.807 0.160) 2.683 10.257 ( -0.594 2.247 -0.584) 2.396 27.312 ( -1.416 -2.078 -2.399) 3.475 27.381 ( 3.330 -4.107 -1.012) 5.383 27.519 ( 1.297 -2.247 2.573) 3.654 27.605 ( 1.070 -0.159 -1.262) 1.662 27.967 ( -6.117 0.231 6.960) 9.269 28.306 ( 1.396 8.238 -4.329) 9.410 29.344 ( 0.051 -0.044 -0.388) 0.393 29.426 ( -0.228 -0.224 0.227) 0.392 ======================= Grid point 65 (39/86) ======================= q-point: ( 0.06 -0.06 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( -14.279 -1.676 0.000) 14.377 0.718 ( -13.931 -5.977 0.000) 15.159 1.007 ( -15.549 -4.275 0.000) 16.126 1.290 ( -0.442 -3.984 -0.000) 4.009 1.658 ( 4.307 0.834 -0.000) 4.387 1.741 ( 1.769 2.519 -0.000) 3.078 2.034 ( 3.920 0.724 -0.000) 3.987 2.133 ( -2.556 1.734 0.000) 3.088 2.274 ( -4.572 7.426 0.000) 8.720 2.547 ( 5.932 -9.411 -0.000) 11.125 2.644 ( 5.197 -0.750 -0.000) 5.251 2.690 ( -0.020 -1.064 -0.000) 1.064 3.036 ( -3.577 -3.091 0.000) 4.728 3.155 ( -0.338 7.280 0.000) 7.288 3.412 ( -3.704 -2.206 0.000) 4.311 3.724 ( 3.624 3.489 -0.000) 5.031 3.784 ( 4.290 0.634 -0.000) 4.336 4.012 ( -2.200 -0.203 0.000) 2.210 8.794 ( -0.437 -0.203 0.000) 0.482 9.106 ( -0.768 -0.870 0.000) 1.160 9.335 ( -0.299 0.335 0.000) 0.449 9.585 ( -1.895 -1.377 0.000) 2.342 9.809 ( 4.390 0.264 -0.000) 4.398 9.943 ( -2.999 -1.461 0.000) 3.336 9.960 ( -1.484 2.097 0.000) 2.569 10.064 ( 1.015 0.559 -0.000) 1.159 10.291 ( 0.445 2.321 -0.000) 2.363 10.308 ( 2.027 -2.084 -0.000) 2.907 27.200 ( 0.905 -1.429 -0.000) 1.691 27.377 ( -3.854 -0.689 0.000) 3.915 27.515 ( 2.300 -2.743 -0.000) 3.579 27.529 ( -5.293 -2.333 0.000) 5.784 27.780 ( 3.757 1.306 -0.000) 3.978 28.621 ( 1.494 5.199 -0.000) 5.410 29.358 ( 0.132 0.013 -0.000) 0.132 29.406 ( -0.170 -0.064 0.000) 0.181 ======================= Grid point 67 (40/86) ======================= q-point: ( 0.06 0.44 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 6.452 -5.315 6.880) 10.826 0.813 ( 9.096 0.251 11.567) 14.718 1.359 ( 7.385 -3.690 6.980) 10.811 1.423 ( -0.727 -0.232 2.517) 2.630 1.614 ( 1.380 1.179 -2.639) 3.203 1.672 ( 2.096 -1.093 -3.833) 4.503 1.923 ( -1.626 2.820 -3.182) 4.552 2.080 ( -3.124 -0.941 2.943) 4.394 2.244 ( -1.706 4.072 -1.567) 4.685 2.481 ( 0.530 -2.533 0.313) 2.606 2.721 ( -3.413 -2.416 -4.372) 6.050 2.883 ( -1.327 1.707 -6.515) 6.864 2.992 ( 6.459 0.462 4.511) 7.892 3.091 ( 2.259 -0.476 8.392) 8.703 3.320 ( -0.644 -0.248 -2.028) 2.142 3.619 ( -2.840 1.969 -3.827) 5.156 3.811 ( -1.538 -2.763 -4.816) 5.761 3.870 ( 4.025 2.008 -3.299) 5.578 8.906 ( -1.771 0.549 2.499) 3.112 9.090 ( 1.105 -0.550 -0.451) 1.314 9.341 ( 0.344 -0.800 2.228) 2.393 9.611 ( 1.679 -0.794 0.226) 1.871 9.799 ( -3.450 0.366 -0.329) 3.485 9.928 ( 1.916 2.303 -0.917) 3.133 9.977 ( 0.276 -1.921 1.837) 2.673 10.085 ( 1.156 -0.348 0.383) 1.267 10.246 ( -3.329 0.563 0.158) 3.380 10.330 ( -0.709 0.884 -1.114) 1.589 27.295 ( 2.562 -0.771 -2.101) 3.402 27.346 ( 1.595 -3.076 -3.061) 4.623 27.392 ( -1.509 0.462 4.296) 4.576 27.607 ( 0.423 -0.243 0.620) 0.789 27.920 ( -3.673 0.039 6.870) 7.791 28.523 ( -0.402 4.021 -4.636) 6.150 29.360 ( -0.016 0.550 -0.220) 0.592 29.408 ( 0.101 -0.765 0.172) 0.790 ======================= Grid point 68 (41/86) ======================= q-point: ( 0.06 -0.31 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 4.269 0.552 2.646) 5.053 1.210 ( -10.111 -4.130 4.249) 11.719 1.282 ( -5.359 -0.738 0.906) 5.485 1.424 ( 2.282 2.870 0.285) 3.677 1.576 ( -1.102 1.092 -0.270) 1.575 1.641 ( 1.738 1.678 -2.353) 3.373 1.934 ( 2.391 1.075 -3.745) 4.572 2.150 ( 3.183 -0.286 -0.320) 3.212 2.256 ( -1.034 7.258 4.855) 8.793 2.391 ( -2.643 -1.004 -1.688) 3.292 2.605 ( 0.482 -1.979 0.350) 2.067 2.698 ( 1.594 1.598 -5.351) 5.807 3.166 ( -1.568 -2.984 -2.584) 4.247 3.269 ( -3.957 1.464 3.454) 5.453 3.407 ( 1.619 -2.076 7.100) 7.572 3.495 ( 4.102 4.491 -1.271) 6.214 3.685 ( 0.876 -1.333 -3.029) 3.423 3.997 ( 2.451 1.107 -0.067) 2.690 8.852 ( -1.314 0.855 -0.966) 1.842 9.124 ( 0.118 -1.037 0.385) 1.113 9.359 ( -0.825 -1.263 0.378) 1.555 9.661 ( 1.685 -0.106 -0.724) 1.837 9.680 ( -1.913 -0.259 0.308) 1.955 9.968 ( -0.284 1.226 1.908) 2.285 10.068 ( -0.583 0.462 -2.025) 2.157 10.109 ( -2.872 -0.450 -0.581) 2.965 10.151 ( 4.353 -2.758 1.121) 5.273 10.278 ( -0.378 1.356 0.129) 1.414 27.251 ( -1.328 -0.383 -3.438) 3.706 27.392 ( 2.744 -1.875 -0.191) 3.329 27.491 ( 0.356 -1.366 2.166) 2.585 27.627 ( 1.677 -0.813 -0.777) 2.019 27.775 ( -7.055 -1.768 2.968) 7.855 28.528 ( 2.688 5.733 -0.637) 6.364 29.354 ( 0.088 0.719 -0.342) 0.801 29.412 ( -0.053 -0.672 0.087) 0.680 ======================= Grid point 69 (42/86) ======================= q-point: ( 0.12 -0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -15.162 -5.900 0.000) 16.270 0.632 ( -14.741 -1.413 0.000) 14.808 1.010 ( -20.928 2.434 0.000) 21.069 1.271 ( 0.166 2.489 0.000) 2.495 1.686 ( 2.955 1.544 -0.000) 3.334 1.775 ( 0.221 0.538 -0.000) 0.581 2.003 ( 5.045 -2.277 -0.000) 5.535 2.162 ( -0.706 -0.193 0.000) 0.732 2.254 ( -1.434 -8.840 0.000) 8.956 2.569 ( -2.281 13.240 0.000) 13.436 2.663 ( 3.533 2.130 -0.000) 4.125 2.678 ( 0.042 0.141 -0.000) 0.147 2.956 ( -1.901 -4.587 0.000) 4.965 3.223 ( 2.846 -2.408 -0.000) 3.729 3.383 ( -3.203 -0.109 0.000) 3.205 3.746 ( 3.404 -0.691 -0.000) 3.473 3.833 ( 3.469 2.947 -0.000) 4.551 3.984 ( -2.278 -2.167 0.000) 3.144 8.799 ( -1.097 0.554 0.000) 1.229 9.095 ( -0.399 0.006 0.000) 0.399 9.319 ( 0.250 -1.466 -0.000) 1.487 9.574 ( -1.981 0.267 0.000) 1.999 9.815 ( 4.310 0.464 -0.000) 4.335 9.923 ( -2.771 -0.355 0.000) 2.794 9.981 ( -1.355 -0.518 0.000) 1.451 10.078 ( 0.786 0.488 -0.000) 0.926 10.258 ( 2.908 -1.799 -0.000) 3.419 10.336 ( 0.325 1.464 -0.000) 1.499 27.199 ( 0.281 1.269 -0.000) 1.300 27.375 ( -3.321 0.115 0.000) 3.323 27.481 ( -4.941 -1.601 0.000) 5.194 27.496 ( 1.613 1.484 -0.000) 2.192 27.791 ( 4.062 -0.197 -0.000) 4.066 28.677 ( 1.599 -0.777 -0.000) 1.777 29.362 ( -0.187 0.255 0.000) 0.317 29.404 ( 0.002 -0.140 -0.000) 0.140 ======================= Grid point 70 (43/86) ======================= q-point: ( 0.12 0.12 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -0.000 -0.000 14.518) 14.518 0.285 ( -0.000 -0.000 14.518) 14.518 0.470 ( -0.000 -0.000 24.023) 24.023 1.324 ( -0.000 -0.000 6.929) 6.929 1.673 ( 0.000 0.000 -5.599) 5.599 1.673 ( 0.000 0.000 -5.599) 5.599 2.097 ( 0.000 0.000 -3.948) 3.948 2.097 ( 0.000 0.000 -3.948) 3.948 2.291 ( -0.000 -0.000 6.724) 6.724 2.291 ( -0.000 -0.000 6.724) 6.724 2.829 ( -0.000 -0.000 2.778) 2.778 2.829 ( -0.000 -0.000 2.778) 2.778 2.872 ( 0.000 0.000 -4.495) 4.495 3.110 ( 0.000 0.000 -5.782) 5.782 3.326 ( -0.000 -0.000 1.420) 1.420 3.831 ( 0.000 0.000 -3.404) 3.404 3.853 ( 0.000 0.000 -3.338) 3.338 3.853 ( 0.000 0.000 -3.338) 3.338 9.072 ( 0.000 0.000 -1.019) 1.019 9.072 ( 0.000 0.000 -1.019) 1.019 9.135 ( -0.000 -0.000 3.176) 3.176 9.541 ( -0.000 -0.000 1.262) 1.262 9.869 ( -0.000 -0.000 1.085) 1.085 9.954 ( -0.000 -0.000 1.227) 1.227 9.954 ( -0.000 -0.000 1.227) 1.227 10.054 ( 0.000 0.000 -4.425) 4.425 10.323 ( -0.000 -0.000 1.921) 1.921 10.388 ( 0.000 0.000 -0.976) 0.976 27.272 ( 0.000 0.000 -2.107) 2.107 27.272 ( 0.000 0.000 -2.107) 2.107 27.556 ( -0.000 -0.000 2.105) 2.105 27.556 ( -0.000 -0.000 2.105) 2.105 27.917 ( -0.000 -0.000 3.233) 3.233 28.572 ( 0.000 0.000 -2.281) 2.281 29.360 ( -0.000 -0.000 0.239) 0.239 29.401 ( 0.000 0.000 -0.127) 0.127 ======================= Grid point 71 (44/86) ======================= q-point: ( 0.12 0.38 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 8.176 0.025 8.332) 11.674 0.854 ( 10.597 2.206 10.443) 15.041 1.317 ( 10.052 0.098 6.765) 12.117 1.393 ( -2.639 -1.858 4.699) 5.701 1.596 ( 1.460 -1.849 -1.665) 2.885 1.673 ( 1.917 0.875 -4.042) 4.558 1.998 ( 0.185 2.006 -4.489) 4.921 2.053 ( -2.030 0.091 -1.170) 2.345 2.331 ( -0.696 -0.355 -1.394) 1.598 2.417 ( -1.173 0.868 4.239) 4.483 2.659 ( -3.661 -2.021 -0.438) 4.205 2.894 ( 1.941 -0.112 -7.229) 7.486 3.025 ( 5.655 1.160 6.566) 8.743 3.085 ( 0.582 -0.593 1.846) 2.025 3.317 ( -0.978 0.038 -0.346) 1.038 3.664 ( -1.901 2.310 -4.452) 5.364 3.748 ( -1.799 -3.217 -4.388) 5.731 3.899 ( 4.199 0.777 -4.390) 6.124 8.919 ( -2.195 0.492 3.459) 4.126 9.074 ( 0.998 -0.702 -0.979) 1.564 9.343 ( 1.029 0.863 1.501) 2.014 9.600 ( 1.435 -0.214 0.925) 1.721 9.802 ( -3.754 0.022 -0.937) 3.870 9.927 ( 1.785 -1.609 0.743) 2.515 9.994 ( 0.427 2.366 -0.180) 2.411 10.072 ( 1.483 -0.811 0.529) 1.771 10.262 ( -3.562 0.927 -0.137) 3.683 10.329 ( -1.176 -0.985 -0.501) 1.614 27.284 ( 2.091 -0.694 -1.804) 2.847 27.323 ( 2.147 1.615 -1.289) 2.980 27.420 ( -1.566 1.303 3.103) 3.712 27.583 ( -0.561 -1.609 1.941) 2.583 27.897 ( -4.901 -1.491 5.146) 7.261 28.581 ( 1.175 0.718 -4.835) 5.027 29.369 ( 0.133 -0.080 0.329) 0.364 29.398 ( -0.005 0.164 -0.293) 0.335 ======================= Grid point 72 (45/86) ======================= q-point: ( 0.12 -0.38 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 0.347 0.684 4.017) 4.089 1.119 ( -4.427 -1.456 4.436) 6.434 1.254 ( -9.288 -1.977 -1.100) 9.560 1.446 ( 2.497 -0.377 -1.210) 2.800 1.590 ( 2.560 -0.022 0.571) 2.623 1.679 ( 0.492 1.592 -1.672) 2.361 1.945 ( -0.928 0.506 -4.042) 4.178 2.139 ( 3.533 -1.402 0.777) 3.880 2.315 ( -3.693 -2.902 0.267) 4.705 2.430 ( 2.911 5.172 3.776) 7.034 2.561 ( -1.633 -0.542 0.705) 1.860 2.766 ( 3.379 2.793 -6.865) 8.146 3.093 ( -1.102 -3.712 -2.005) 4.361 3.260 ( -5.377 -1.596 0.525) 5.633 3.392 ( 0.339 1.196 8.305) 8.398 3.583 ( 5.494 2.421 0.042) 6.004 3.658 ( 1.142 -0.742 -2.814) 3.126 3.993 ( 2.162 -1.368 -1.213) 2.832 8.881 ( -1.864 1.605 0.356) 2.485 9.097 ( 0.512 -1.246 -0.480) 1.430 9.341 ( -0.945 -0.395 -0.153) 1.035 9.661 ( -0.645 0.696 1.025) 1.396 9.688 ( 0.159 0.520 -0.595) 0.806 9.982 ( -0.474 -0.233 1.454) 1.547 10.076 ( -0.483 -1.067 -2.224) 2.514 10.090 ( 0.909 -0.483 0.132) 1.038 10.108 ( -0.038 -0.346 -0.394) 0.526 10.300 ( 0.455 0.676 0.617) 1.021 27.271 ( -1.251 2.346 -2.442) 3.610 27.387 ( 0.743 1.260 2.102) 2.561 27.498 ( 1.671 1.981 -0.318) 2.611 27.585 ( -0.053 -3.004 1.677) 3.441 27.731 ( -4.150 -2.292 -0.145) 4.743 28.588 ( 2.116 -0.303 -0.799) 2.282 29.374 ( -0.223 0.883 -0.033) 0.911 29.397 ( 0.230 -0.581 0.006) 0.625 ======================= Grid point 78 (46/86) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 10.016 2.156 6.718) 12.252 0.813 ( 10.301 7.927 -2.704) 13.276 1.261 ( 2.162 5.906 7.029) 9.432 1.424 ( 3.316 5.419 1.479) 6.523 1.617 ( -5.516 0.185 -3.141) 6.350 1.674 ( -2.649 -3.075 -0.014) 4.059 1.968 ( -0.135 -5.785 2.859) 6.454 2.041 ( 1.120 -1.053 -5.174) 5.398 2.231 ( 1.653 -1.903 2.136) 3.304 2.497 ( -8.135 -0.369 -3.830) 9.000 2.729 ( -2.724 -1.938 0.800) 3.438 2.828 ( -4.299 2.536 2.854) 5.750 2.997 ( 4.168 -3.802 2.203) 6.057 3.094 ( 6.576 5.103 -1.734) 8.502 3.408 ( 1.994 2.211 -4.885) 5.720 3.606 ( -4.541 -5.029 -1.643) 6.972 3.815 ( -3.051 1.590 1.804) 3.885 3.954 ( 1.531 -2.562 -3.352) 4.488 8.844 ( -0.139 1.024 2.687) 2.879 9.111 ( 0.600 0.027 -0.638) 0.876 9.332 ( 1.333 -0.315 1.240) 1.848 9.632 ( 1.721 2.719 0.109) 3.220 9.783 ( -2.710 -1.814 -0.700) 3.336 9.910 ( -0.076 -0.619 -0.697) 0.936 9.996 ( 2.692 0.957 1.476) 3.216 10.069 ( -0.393 0.671 0.953) 1.230 10.230 ( -0.388 -3.246 0.376) 3.291 10.331 ( -1.508 0.766 -1.485) 2.251 27.284 ( -1.159 3.104 2.003) 3.872 27.403 ( 5.039 2.038 0.001) 5.435 27.519 ( 4.839 0.728 -4.225) 6.465 27.584 ( -1.369 2.429 0.451) 2.824 27.773 ( -3.169 -2.212 3.842) 5.450 28.490 ( -3.761 -5.400 -1.137) 6.678 29.360 ( -0.236 0.292 -0.344) 0.509 29.410 ( 0.232 -0.087 0.521) 0.577 ======================= Grid point 79 (47/86) ======================= q-point: ( 0.12 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -3.964 3.002 -1.650) 5.239 1.188 ( 4.250 -1.574 -3.058) 5.467 1.233 ( -6.282 -0.804 -1.404) 6.486 1.385 ( 5.648 -0.837 3.062) 6.479 1.510 ( 2.638 -1.532 -1.417) 3.363 1.699 ( -0.862 -1.798 2.896) 3.516 1.945 ( -3.442 -3.042 3.969) 6.071 1.995 ( 0.483 -6.719 -4.787) 8.264 2.209 ( 0.070 3.541 -0.261) 3.551 2.468 ( 1.984 -0.266 2.486) 3.191 2.567 ( -1.344 -0.997 -1.588) 2.307 2.781 ( 0.299 -1.040 3.490) 3.654 3.106 ( 0.052 0.512 -8.912) 8.927 3.261 ( 2.418 -0.265 3.114) 3.952 3.386 ( -6.109 -0.518 4.133) 7.394 3.458 ( 3.419 -0.358 -0.988) 3.577 3.752 ( 0.968 1.820 0.409) 2.102 3.927 ( -0.588 -3.375 -1.832) 3.885 8.890 ( -0.270 1.094 2.130) 2.410 9.099 ( 0.345 -1.177 -2.087) 2.421 9.383 ( -0.426 2.121 -0.361) 2.193 9.658 ( 0.251 -1.961 0.660) 2.085 9.732 ( -0.161 3.330 1.882) 3.828 9.904 ( 0.225 -1.693 -1.408) 2.214 10.096 ( -0.558 0.771 -0.272) 0.990 10.111 ( 1.542 0.446 -0.650) 1.732 10.163 ( -2.468 1.175 -1.839) 3.294 10.260 ( 1.308 -1.551 1.688) 2.640 27.355 ( 1.458 1.011 4.214) 4.572 27.462 ( -2.780 1.962 -0.045) 3.403 27.532 ( -1.529 6.895 -0.200) 7.065 27.648 ( -2.720 -1.412 1.068) 3.246 27.713 ( 6.474 1.638 -4.657) 8.141 28.367 ( -0.815 -9.349 -0.414) 9.394 29.357 ( 0.013 0.066 0.559) 0.563 29.417 ( -0.058 -0.020 -0.238) 0.245 ======================= Grid point 82 (48/86) ======================= q-point: ( 0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -3.554 15.021 0.000) 15.435 0.920 ( 1.552 10.852 0.000) 10.963 1.305 ( 2.556 1.931 -0.000) 3.203 1.470 ( 4.203 10.797 -0.000) 11.586 1.608 ( 0.527 -7.141 -0.000) 7.160 1.681 ( -4.112 -5.764 0.000) 7.080 1.899 ( -1.788 0.545 0.000) 1.869 2.139 ( -3.326 -0.225 0.000) 3.334 2.177 ( -1.005 3.125 0.000) 3.283 2.622 ( -0.351 -7.575 -0.000) 7.584 2.686 ( 1.224 -0.775 -0.000) 1.449 2.716 ( 0.188 -3.510 -0.000) 3.515 3.011 ( -0.986 2.574 0.000) 2.756 3.106 ( 1.451 5.713 -0.000) 5.894 3.476 ( 1.984 3.317 -0.000) 3.865 3.617 ( -4.014 -4.329 0.000) 5.903 3.792 ( 1.537 -5.194 -0.000) 5.417 3.950 ( -2.914 -0.516 0.000) 2.959 8.861 ( 1.032 3.022 -0.000) 3.193 9.087 ( -0.415 -1.347 0.000) 1.409 9.310 ( 0.343 1.119 -0.000) 1.171 9.654 ( 2.265 3.125 -0.000) 3.859 9.747 ( 0.576 -3.237 -0.000) 3.288 9.957 ( -3.297 0.497 0.000) 3.334 9.985 ( 0.741 2.519 -0.000) 2.626 10.080 ( 0.189 0.764 -0.000) 0.787 10.154 ( -0.595 -4.001 -0.000) 4.045 10.346 ( 0.633 -1.002 -0.000) 1.185 27.292 ( 5.014 2.541 -0.000) 5.621 27.440 ( -1.128 3.635 0.000) 3.806 27.539 ( 4.492 -1.111 -0.000) 4.627 27.552 ( 0.101 3.316 0.000) 3.318 27.672 ( -1.370 -5.304 0.000) 5.479 28.551 ( -6.426 -2.261 0.000) 6.812 29.379 ( 0.402 0.777 -0.000) 0.875 29.395 ( -0.225 -0.492 0.000) 0.541 ======================= Grid point 83 (49/86) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 7.782 1.822 4.399) 9.123 1.107 ( 5.537 1.404 -1.691) 5.958 1.290 ( -2.438 -0.231 -0.092) 2.450 1.418 ( -6.901 -1.983 -1.490) 7.333 1.554 ( -2.281 -0.459 -1.010) 2.537 1.601 ( 0.513 0.307 1.104) 1.256 1.869 ( -0.980 -2.635 1.521) 3.196 2.024 ( -0.913 -1.689 -6.336) 6.621 2.214 ( -0.003 0.335 2.871) 2.890 2.344 ( -0.996 0.544 6.249) 6.352 2.665 ( -0.167 -0.763 -3.912) 3.989 2.788 ( -3.605 -0.230 -1.738) 4.008 3.015 ( 4.275 -2.080 5.695) 7.418 3.304 ( 0.011 0.648 -3.310) 3.372 3.394 ( -3.319 -0.099 2.529) 4.174 3.492 ( 1.515 1.163 -7.597) 7.833 3.786 ( -1.856 0.831 4.842) 5.252 3.883 ( -0.446 -4.457 -2.305) 5.038 8.890 ( 0.387 2.972 1.119) 3.200 9.079 ( -0.545 -3.136 0.120) 3.185 9.399 ( 3.038 2.381 0.328) 3.874 9.660 ( -2.797 -1.672 -1.917) 3.781 9.761 ( 0.925 3.297 1.045) 3.581 9.884 ( 0.257 -1.846 -0.101) 1.867 10.076 ( 1.879 1.374 0.593) 2.402 10.099 ( 1.237 1.796 1.134) 2.458 10.166 ( 0.429 -2.667 1.071) 2.905 10.293 ( -2.495 -0.594 -2.249) 3.411 27.345 ( -0.423 4.063 0.772) 4.157 27.541 ( -1.019 -2.047 -0.680) 2.386 27.613 ( 4.318 4.831 -2.035) 6.791 27.634 ( 5.362 -1.162 -0.816) 5.547 27.699 ( -1.649 2.436 3.149) 4.310 28.250 ( -5.907 -7.416 -0.267) 9.485 29.367 ( -0.128 0.805 -0.419) 0.917 29.406 ( -0.006 -0.621 0.528) 0.815 ======================= Grid point 84 (50/86) ======================= q-point: ( 0.12 -0.62 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -4.289 4.833 0.770) 6.507 1.089 ( -0.726 4.171 -4.537) 6.205 1.283 ( 3.406 -3.534 0.690) 4.957 1.399 ( 1.400 -4.618 0.468) 4.848 1.517 ( -2.082 -2.480 2.358) 4.006 1.642 ( 2.046 1.263 -2.110) 3.199 1.894 ( 2.174 -1.695 1.808) 3.297 1.934 ( 3.628 -2.545 -0.966) 4.536 2.265 ( -2.569 2.725 -1.293) 3.961 2.434 ( 0.149 -1.210 -2.046) 2.381 2.602 ( 1.266 -0.769 1.557) 2.150 2.751 ( 1.829 -1.898 1.443) 3.005 3.134 ( 0.152 0.260 -4.865) 4.874 3.211 ( -1.980 0.158 5.284) 5.645 3.366 ( 0.743 2.300 2.848) 3.735 3.483 ( -0.171 -1.552 -4.827) 5.074 3.803 ( -0.015 -1.265 4.109) 4.299 3.855 ( 1.277 -0.058 -0.464) 1.359 8.911 ( -1.012 1.245 -0.808) 1.796 9.075 ( 1.363 -1.620 0.533) 2.184 9.417 ( -1.846 2.105 -1.676) 3.263 9.627 ( 1.731 -1.831 1.510) 2.938 9.784 ( -1.477 1.579 -1.164) 2.455 9.878 ( 0.349 -0.568 0.206) 0.697 10.088 ( -1.423 1.621 -0.587) 2.235 10.125 ( -1.580 0.558 -0.836) 1.873 10.189 ( 2.360 0.761 -1.380) 2.838 10.239 ( 0.459 -2.631 2.947) 3.977 27.363 ( -2.142 1.108 -0.898) 2.574 27.514 ( 2.291 2.036 2.187) 3.765 27.553 ( -4.056 1.479 2.560) 5.019 27.642 ( -1.625 4.576 -0.620) 4.896 27.786 ( -1.641 -3.218 -5.741) 6.783 28.228 ( 6.689 -5.555 2.241) 8.979 29.359 ( -0.445 0.433 0.359) 0.717 29.415 ( 0.484 -0.443 -0.428) 0.784 ======================= Grid point 86 (51/86) ======================= q-point: ( 0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -1.983 12.184 0.000) 12.345 1.063 ( -0.924 -0.386 0.000) 1.002 1.331 ( 0.567 -2.630 -0.000) 2.691 1.462 ( -1.259 -1.964 0.000) 2.333 1.491 ( -0.968 -5.813 0.000) 5.893 1.692 ( -1.040 3.733 0.000) 3.875 1.890 ( -2.267 2.671 0.000) 3.503 2.073 ( 0.625 -1.798 -0.000) 1.903 2.248 ( 0.130 3.340 0.000) 3.342 2.338 ( -8.065 -2.269 0.000) 8.378 2.689 ( 0.970 -1.105 -0.000) 1.470 2.792 ( 6.101 1.248 -0.000) 6.228 2.890 ( -5.142 -2.056 0.000) 5.538 3.377 ( 4.630 5.811 -0.000) 7.430 3.405 ( -6.812 -4.107 0.000) 7.954 3.604 ( 4.082 2.970 -0.000) 5.048 3.682 ( -0.733 -5.731 -0.000) 5.778 3.845 ( -2.724 -3.340 0.000) 4.310 8.959 ( 0.788 4.107 -0.000) 4.182 9.016 ( -1.584 -3.069 0.000) 3.453 9.384 ( 2.755 2.401 -0.000) 3.654 9.683 ( -1.280 -2.831 0.000) 3.107 9.791 ( 3.117 3.831 -0.000) 4.939 9.884 ( -2.965 -0.598 0.000) 3.025 10.053 ( 1.853 1.340 -0.000) 2.287 10.076 ( 0.454 -3.024 -0.000) 3.058 10.126 ( 0.302 2.816 0.000) 2.832 10.314 ( -0.712 -2.085 0.000) 2.203 27.449 ( 5.714 -1.079 -0.000) 5.815 27.476 ( -2.038 2.963 0.000) 3.597 27.513 ( -2.625 -4.701 0.000) 5.384 27.621 ( 4.994 -2.035 -0.000) 5.393 27.687 ( 4.182 7.523 -0.000) 8.607 28.333 ( -9.501 -2.098 0.000) 9.729 29.374 ( -0.145 -0.998 -0.000) 1.009 29.406 ( 0.035 1.154 0.000) 1.155 ======================= Grid point 87 (52/86) ======================= q-point: ( 0.12 0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -0.385 -2.632 0.806) 2.779 1.096 ( 0.385 2.632 0.806) 2.779 1.284 ( -4.707 0.473 -0.305) 4.741 1.284 ( 4.707 -0.473 -0.305) 4.741 1.555 ( -0.796 -1.386 1.245) 2.026 1.555 ( 0.796 1.386 1.245) 2.026 1.912 ( -4.274 -2.044 -4.798) 6.743 1.912 ( 4.274 2.044 -4.798) 6.743 2.310 ( -1.799 -2.762 5.349) 6.283 2.310 ( 1.799 2.762 5.349) 6.283 2.694 ( -1.589 -1.987 -3.319) 4.182 2.694 ( 1.589 1.987 -3.319) 4.182 3.122 ( -5.847 -2.334 3.286) 7.102 3.122 ( 5.847 2.334 3.286) 7.102 3.489 ( 0.109 -3.350 -3.957) 5.186 3.489 ( -0.109 3.350 -3.957) 5.186 3.795 ( 0.198 -2.517 1.673) 3.028 3.795 ( -0.198 2.517 1.673) 3.028 8.981 ( -0.653 -4.228 0.538) 4.311 8.981 ( 0.653 4.228 0.538) 4.311 9.535 ( -3.507 -3.100 -0.941) 4.775 9.535 ( 3.507 3.100 -0.941) 4.775 9.841 ( 0.017 -2.770 0.488) 2.813 9.841 ( -0.017 2.770 0.488) 2.813 10.123 ( 0.329 -1.968 1.480) 2.484 10.123 ( -0.329 1.968 1.480) 2.484 10.202 ( -3.293 -1.824 -1.460) 4.037 10.202 ( 3.293 1.824 -1.460) 4.037 27.438 ( -1.056 -4.000 0.689) 4.195 27.438 ( 1.056 4.000 0.689) 4.195 27.669 ( 3.128 -2.624 -1.287) 4.281 27.669 ( -3.128 2.624 -1.287) 4.281 27.942 ( -6.661 -8.236 0.577) 10.608 27.942 ( 6.661 8.236 0.577) 10.608 29.387 ( 0.240 -1.223 0.020) 1.247 29.387 ( -0.240 1.223 0.020) 1.247 ======================= Grid point 92 (53/86) ======================= q-point: ( 0.12 0.88 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 1.896 -1.005 -0.000) 2.146 1.217 ( -0.520 8.781 0.000) 8.797 1.289 ( 0.009 1.041 0.000) 1.041 1.404 ( 0.231 -2.421 -0.000) 2.432 1.444 ( -1.731 1.509 0.000) 2.296 1.606 ( -3.330 -2.584 0.000) 4.214 1.957 ( 2.210 4.013 -0.000) 4.581 2.035 ( -3.411 -3.196 0.000) 4.674 2.266 ( -3.400 0.762 0.000) 3.484 2.286 ( 0.499 3.633 0.000) 3.667 2.686 ( 1.447 -1.597 -0.000) 2.155 2.744 ( -3.102 -2.677 0.000) 4.098 3.011 ( 7.253 5.843 -0.000) 9.314 3.206 ( -6.135 -0.518 0.000) 6.156 3.527 ( -3.497 -4.702 0.000) 5.859 3.528 ( 2.860 2.012 -0.000) 3.496 3.721 ( -1.003 -4.264 0.000) 4.380 3.776 ( 4.841 3.961 -0.000) 6.255 8.912 ( -1.777 -2.807 0.000) 3.322 9.059 ( 0.719 3.681 -0.000) 3.750 9.508 ( 3.892 2.225 -0.000) 4.483 9.558 ( -3.453 -3.894 0.000) 5.205 9.812 ( -2.305 -1.254 0.000) 2.624 9.912 ( 0.543 3.416 -0.000) 3.459 10.042 ( 0.864 -1.798 -0.000) 1.995 10.126 ( 3.442 0.200 -0.000) 3.447 10.197 ( 0.429 2.886 0.000) 2.918 10.231 ( -2.343 -2.434 0.000) 3.379 27.364 ( -2.029 -4.338 0.000) 4.789 27.469 ( 3.320 -4.052 -0.000) 5.238 27.517 ( 1.045 1.659 -0.000) 1.961 27.652 ( 2.726 -3.298 -0.000) 4.279 28.015 ( 6.128 11.031 -0.000) 12.619 28.077 ( -11.037 -1.024 0.000) 11.084 29.352 ( 0.121 -0.953 -0.000) 0.960 29.423 ( -0.446 0.753 0.000) 0.875 ======================= Grid point 96 (54/86) ======================= q-point: ( 0.12 0.62 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.623 -7.769 7.173) 10.592 1.162 ( -0.120 -0.561 2.327) 2.396 1.326 ( 0.032 -4.103 1.845) 4.499 1.466 ( -4.033 7.491 -5.937) 10.374 1.488 ( -1.221 2.091 2.172) 3.253 1.708 ( 1.755 -2.596 2.314) 3.895 1.972 ( -3.473 -2.860 -2.588) 5.190 2.031 ( 3.743 -1.267 -4.778) 6.200 2.274 ( -5.188 1.859 6.473) 8.501 2.467 ( 0.372 0.376 -0.646) 0.835 2.631 ( 0.887 2.325 -0.551) 2.549 2.757 ( 3.656 -0.723 -4.571) 5.898 3.011 ( -5.304 0.573 -2.078) 5.725 3.308 ( 1.667 -1.911 7.149) 7.585 3.398 ( -0.180 -2.622 4.349) 5.082 3.568 ( 0.313 3.219 -1.948) 3.776 3.621 ( 1.177 -1.813 -4.245) 4.764 3.884 ( -2.149 -3.974 -4.565) 6.423 8.954 ( 0.477 1.593 3.037) 3.463 9.053 ( -0.602 -0.686 -2.143) 2.329 9.381 ( 1.304 1.533 0.550) 2.087 9.646 ( 0.036 -1.975 -0.075) 1.976 9.757 ( 2.088 2.369 1.869) 3.670 9.928 ( -2.848 -1.174 0.679) 3.154 10.036 ( 1.021 -1.373 -1.426) 2.227 10.081 ( 0.053 0.036 -1.235) 1.237 10.188 ( 0.565 3.828 -0.510) 3.903 10.286 ( -1.050 -0.424 0.589) 1.276 27.320 ( 2.151 -2.275 -0.504) 3.171 27.426 ( 3.459 -4.178 -1.724) 5.691 27.484 ( 0.922 0.317 3.610) 3.740 27.563 ( -0.554 1.174 0.148) 1.306 27.802 ( -0.803 7.575 2.001) 7.876 28.487 ( -5.196 -1.494 -2.818) 6.097 29.366 ( -0.760 -0.430 0.210) 0.899 29.411 ( 1.059 0.316 -0.062) 1.107 ======================= Grid point 97 (55/86) ======================= q-point: ( 0.12 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 1.813 0.324 -0.000) 1.841 1.284 ( -9.114 1.143 0.000) 9.186 1.289 ( -7.120 1.435 0.000) 7.263 1.384 ( 4.460 2.721 -0.000) 5.225 1.545 ( 3.623 1.181 -0.000) 3.811 1.564 ( 1.783 1.726 -0.000) 2.482 1.905 ( -1.304 -0.968 0.000) 1.624 2.099 ( 4.246 1.694 -0.000) 4.572 2.208 ( -2.603 4.936 0.000) 5.580 2.322 ( -3.894 1.391 0.000) 4.135 2.676 ( 2.325 -3.495 -0.000) 4.198 2.676 ( 1.372 -1.981 -0.000) 2.410 3.138 ( -3.251 2.672 0.000) 4.208 3.324 ( 8.199 7.339 -0.000) 11.004 3.336 ( -5.719 -3.890 0.000) 6.916 3.613 ( -1.420 -4.018 0.000) 4.262 3.616 ( 3.313 0.464 -0.000) 3.345 3.950 ( 3.441 3.396 -0.000) 4.834 8.838 ( -1.311 -1.017 0.000) 1.659 9.130 ( 0.437 1.299 -0.000) 1.370 9.408 ( -2.945 -2.759 0.000) 4.035 9.628 ( 3.794 1.216 -0.000) 3.984 9.724 ( -2.492 -2.181 0.000) 3.311 9.963 ( -1.154 2.585 0.000) 2.831 10.028 ( 0.423 -0.804 -0.000) 0.908 10.127 ( -3.239 -1.578 0.000) 3.603 10.199 ( 3.015 0.218 -0.000) 3.023 10.252 ( 1.014 0.596 -0.000) 1.177 27.252 ( -1.128 -2.978 0.000) 3.185 27.454 ( 3.892 -4.321 -0.000) 5.815 27.586 ( -1.216 -4.129 0.000) 4.304 27.591 ( 2.712 1.641 -0.000) 3.169 27.843 ( -9.286 -0.562 0.000) 9.303 28.352 ( 4.235 9.619 -0.000) 10.510 29.345 ( 0.390 -0.223 -0.000) 0.449 29.421 ( -0.452 0.025 0.000) 0.453 ======================= Grid point 100 (56/86) ======================= q-point: ( 0.12 0.62 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 2.520 -2.377 7.059) 7.863 1.089 ( 3.609 -5.358 8.447) 10.634 1.337 ( 3.846 2.262 -4.653) 6.446 1.502 ( -3.414 3.172 0.625) 4.702 1.553 ( -1.034 1.911 -0.010) 2.173 1.610 ( -0.808 -3.226 -4.252) 5.398 1.897 ( -0.023 -0.242 3.073) 3.083 2.108 ( 1.258 0.672 -5.207) 5.399 2.210 ( -2.168 0.675 7.566) 7.899 2.475 ( -1.464 2.182 -2.432) 3.580 2.648 ( -0.185 -0.796 -3.518) 3.611 2.779 ( -4.232 -1.103 -1.859) 4.753 3.024 ( 5.678 3.321 -0.574) 6.603 3.291 ( 1.648 -4.053 5.110) 6.727 3.309 ( -2.805 0.805 3.737) 4.741 3.583 ( -0.254 -1.188 2.197) 2.510 3.691 ( 0.250 0.703 -8.327) 8.361 3.798 ( 2.694 -0.618 -3.931) 4.805 8.928 ( -2.422 -0.272 0.667) 2.527 9.083 ( 1.637 0.803 -0.261) 1.842 9.426 ( 0.681 -0.555 3.657) 3.761 9.595 ( -0.135 -1.213 -3.254) 3.475 9.820 ( -1.516 -0.110 2.753) 3.145 9.892 ( 1.627 1.200 0.766) 2.163 10.028 ( 0.959 -1.027 -0.963) 1.703 10.088 ( 0.626 -0.418 -0.645) 0.992 10.242 ( -2.423 -0.177 0.152) 2.434 10.267 ( -0.306 2.881 -0.731) 2.988 27.305 ( 2.265 -2.568 -0.312) 3.438 27.349 ( -0.197 -3.963 -2.761) 4.834 27.501 ( 0.582 -1.833 3.232) 3.761 27.587 ( 0.118 1.398 -0.609) 1.529 28.011 ( 1.566 6.311 7.456) 9.893 28.346 ( -4.896 1.468 -6.046) 7.917 29.347 ( -0.377 0.009 -0.210) 0.432 29.427 ( 0.285 -0.356 0.203) 0.499 ======================= Grid point 101 (57/86) ======================= q-point: ( 0.12 -0.12 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -13.415 -1.312 0.000) 13.479 1.012 ( -13.420 -4.261 0.000) 14.080 1.196 ( -0.670 1.336 0.000) 1.495 1.407 ( -11.342 -3.471 0.000) 11.861 1.546 ( 5.881 1.949 -0.000) 6.196 1.685 ( 3.121 3.041 -0.000) 4.357 1.952 ( 3.690 0.258 -0.000) 3.699 2.221 ( -5.342 0.190 0.000) 5.346 2.304 ( 6.209 2.347 -0.000) 6.638 2.372 ( 3.669 7.276 -0.000) 8.149 2.611 ( 0.008 -4.332 -0.000) 4.332 2.677 ( 1.250 -1.221 -0.000) 1.747 3.116 ( -2.424 -3.930 0.000) 4.617 3.175 ( -3.384 3.153 0.000) 4.625 3.487 ( -3.055 -2.984 0.000) 4.271 3.624 ( 6.188 5.567 -0.000) 8.324 3.693 ( 3.872 -0.103 -0.000) 3.873 4.034 ( 0.351 0.307 -0.000) 0.466 8.810 ( -1.141 0.528 0.000) 1.257 9.122 ( -0.624 -1.122 0.000) 1.284 9.342 ( -0.512 -0.674 0.000) 0.846 9.630 ( -2.399 -1.343 0.000) 2.749 9.721 ( 3.750 0.389 -0.000) 3.770 9.988 ( -1.136 1.955 0.000) 2.261 10.007 ( -2.367 -1.291 0.000) 2.696 10.053 ( -0.576 0.500 0.000) 0.763 10.249 ( 3.426 -2.911 -0.000) 4.495 10.282 ( 0.395 2.143 -0.000) 2.179 27.194 ( -0.441 -0.826 0.000) 0.936 27.457 ( 3.071 -2.273 -0.000) 3.821 27.462 ( -3.708 -1.711 0.000) 4.084 27.651 ( -6.444 -2.213 0.000) 6.814 27.694 ( 4.159 0.885 -0.000) 4.252 28.582 ( 2.330 5.488 -0.000) 5.962 29.354 ( 0.199 0.366 -0.000) 0.417 29.410 ( -0.172 -0.280 0.000) 0.329 ======================= Grid point 103 (58/86) ======================= q-point: ( 0.12 0.38 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 4.104 -1.861 11.955) 12.776 0.677 ( 3.136 -6.961 11.655) 13.933 1.169 ( 8.539 -8.393 13.122) 17.763 1.437 ( -0.457 2.130 3.637) 4.239 1.584 ( 1.387 0.497 -2.703) 3.078 1.625 ( 1.761 -4.254 -5.171) 6.924 1.966 ( -2.195 2.055 -3.609) 4.698 2.110 ( 1.395 -1.743 -4.414) 4.946 2.306 ( -3.910 4.134 2.920) 6.396 2.464 ( 0.936 -1.923 3.193) 3.843 2.747 ( 1.112 1.511 -3.816) 4.252 2.836 ( 1.734 -1.637 -0.668) 2.476 2.981 ( -1.457 -4.287 0.035) 4.528 3.037 ( 2.022 2.246 3.068) 4.307 3.332 ( -0.576 0.544 0.522) 0.949 3.681 ( -2.776 1.147 -4.674) 5.556 3.786 ( 3.028 1.382 -4.186) 5.348 3.827 ( 0.312 -3.005 -6.264) 6.955 8.953 ( -2.464 1.824 3.262) 4.477 9.064 ( 1.168 -0.256 -1.087) 1.616 9.321 ( 1.633 -2.498 1.824) 3.498 9.582 ( 0.878 -0.693 0.770) 1.358 9.866 ( -2.646 1.717 -0.774) 3.248 9.894 ( 1.057 1.275 -0.514) 1.734 9.988 ( -0.876 -1.533 1.669) 2.430 10.052 ( 1.842 -0.791 -0.136) 2.009 10.312 ( -2.711 0.962 -0.036) 2.876 10.337 ( 0.054 1.755 -0.364) 1.793 27.252 ( 1.285 -0.996 -2.003) 2.580 27.299 ( 2.511 -3.430 -3.143) 5.287 27.459 ( -4.224 2.844 5.570) 7.547 27.598 ( 0.580 0.870 1.624) 1.932 27.968 ( -0.969 2.492 6.044) 6.609 28.537 ( -0.712 -0.112 -5.533) 5.580 29.363 ( -0.233 0.276 0.135) 0.386 29.404 ( 0.336 -0.454 -0.051) 0.567 ======================= Grid point 104 (59/86) ======================= q-point: ( 0.12 0.62 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 5.532 -0.998 6.082) 8.281 1.202 ( 7.100 0.941 8.764) 11.318 1.387 ( -4.113 -2.474 1.337) 4.983 1.479 ( -0.756 2.273 1.078) 2.627 1.560 ( -0.284 0.056 -5.473) 5.481 1.618 ( 0.569 1.975 -3.617) 4.160 1.893 ( 0.318 1.582 0.229) 1.630 2.118 ( 0.946 -2.239 -2.756) 3.675 2.244 ( 0.914 5.703 6.888) 8.989 2.468 ( -3.211 -1.184 -0.515) 3.461 2.608 ( -0.807 -1.278 -1.252) 1.963 2.688 ( -1.040 1.133 -7.429) 7.586 3.191 ( -0.015 -3.042 -1.058) 3.221 3.264 ( 5.390 2.383 3.150) 6.682 3.338 ( 0.724 2.420 8.459) 8.828 3.506 ( -2.698 -1.429 -2.041) 3.673 3.675 ( 0.103 -0.810 -5.901) 5.957 3.919 ( 4.730 1.038 -1.797) 5.165 8.888 ( -2.049 1.194 0.236) 2.383 9.111 ( 1.041 -1.044 -0.032) 1.475 9.382 ( -1.186 -1.523 2.081) 2.839 9.620 ( 1.750 0.808 -2.053) 2.816 9.741 ( -3.268 -0.878 1.233) 3.601 9.967 ( 0.682 1.768 1.766) 2.590 10.044 ( 3.556 -1.739 0.376) 3.976 10.085 ( 0.174 -0.457 -1.407) 1.489 10.178 ( -3.192 -0.258 -0.284) 3.215 10.293 ( -0.919 1.055 -0.250) 1.421 27.280 ( -1.017 -0.945 -2.747) 3.078 27.329 ( 3.044 -0.547 -1.117) 3.288 27.474 ( 0.624 -1.297 4.112) 4.357 27.604 ( 0.527 -0.423 -1.628) 1.763 27.935 ( -7.474 -2.910 5.348) 9.640 28.465 ( 3.086 6.063 -3.209) 7.522 29.353 ( -0.033 0.907 -0.323) 0.964 29.413 ( 0.019 -0.972 0.127) 0.981 ======================= Grid point 105 (60/86) ======================= q-point: ( 0.19 -0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -16.054 -4.594 0.000) 16.698 0.934 ( -13.548 -2.593 0.000) 13.794 1.243 ( 2.481 2.868 -0.000) 3.792 1.396 ( -14.940 2.140 0.000) 15.092 1.585 ( 6.560 1.576 -0.000) 6.747 1.726 ( 3.966 0.220 -0.000) 3.972 1.930 ( 2.078 -1.564 -0.000) 2.601 2.211 ( -4.023 -1.407 0.000) 4.262 2.244 ( 2.880 -5.774 -0.000) 6.452 2.533 ( 3.222 5.797 -0.000) 6.632 2.641 ( 0.586 6.808 0.000) 6.833 2.666 ( 1.068 0.333 -0.000) 1.119 3.032 ( -4.412 -3.488 0.000) 5.624 3.179 ( 0.139 -3.289 -0.000) 3.292 3.452 ( -3.146 0.032 0.000) 3.146 3.673 ( 3.464 -1.292 -0.000) 3.697 3.731 ( 6.071 3.804 -0.000) 7.164 4.011 ( 0.000 -2.300 -0.000) 2.300 8.833 ( -2.104 1.450 0.000) 2.555 9.100 ( 0.063 -0.842 -0.000) 0.844 9.320 ( -0.417 -1.113 0.000) 1.188 9.622 ( -2.550 0.593 0.000) 2.618 9.732 ( 3.379 0.669 -0.000) 3.444 9.985 ( -2.886 -0.626 0.000) 2.953 10.005 ( -0.878 -0.723 0.000) 1.137 10.070 ( -0.278 0.791 0.000) 0.839 10.184 ( 3.917 -2.519 -0.000) 4.657 10.323 ( 0.848 1.557 -0.000) 1.773 27.211 ( -1.327 2.423 0.000) 2.763 27.445 ( -3.009 -0.070 0.000) 3.009 27.457 ( 2.083 2.360 -0.000) 3.148 27.592 ( -5.734 -3.027 0.000) 6.484 27.696 ( 4.665 -0.626 -0.000) 4.707 28.635 ( 2.354 -0.871 -0.000) 2.509 29.367 ( -0.286 0.699 0.000) 0.756 29.402 ( 0.165 -0.415 -0.000) 0.446 ======================= Grid point 107 (61/86) ======================= q-point: ( 0.19 0.31 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.246 -0.722 13.706) 13.727 0.648 ( 8.247 1.207 12.082) 14.678 1.064 ( 11.738 -0.081 15.958) 19.810 1.449 ( -2.493 -0.637 4.459) 5.148 1.567 ( 1.411 -0.285 -4.248) 4.485 1.600 ( 3.985 0.741 -4.821) 6.299 2.011 ( -0.825 -0.229 -4.041) 4.131 2.060 ( 1.867 0.184 -5.154) 5.484 2.379 ( -3.141 -1.119 3.963) 5.179 2.423 ( 0.241 1.588 5.590) 5.816 2.733 ( -2.886 -0.890 -4.104) 5.096 2.851 ( 0.286 -0.826 -1.992) 2.175 2.931 ( 2.835 2.074 5.500) 6.526 3.056 ( 3.258 -0.896 -3.025) 4.536 3.340 ( -1.188 0.008 1.393) 1.831 3.706 ( -2.029 0.934 -5.117) 5.583 3.767 ( -0.073 -1.728 -5.488) 5.754 3.814 ( 3.507 0.768 -5.582) 6.637 8.982 ( -3.836 0.368 2.660) 4.683 9.055 ( 0.683 -0.499 -1.248) 1.508 9.291 ( 3.945 0.329 2.116) 4.488 9.575 ( 0.824 -0.056 0.911) 1.229 9.879 ( -2.556 0.328 -0.430) 2.612 9.910 ( -0.918 -1.034 -0.502) 1.471 9.987 ( 0.284 1.387 1.043) 1.758 10.032 ( 2.275 -0.698 -0.145) 2.384 10.329 ( -2.546 0.637 0.126) 2.628 10.350 ( -0.828 -0.657 -0.246) 1.085 27.243 ( 1.479 -0.236 -2.196) 2.658 27.261 ( 2.823 0.417 -2.702) 3.930 27.511 ( -6.076 0.806 4.914) 7.856 27.595 ( -0.488 -0.788 2.174) 2.363 27.981 ( -2.630 -0.540 5.884) 6.468 28.542 ( 2.385 0.293 -5.682) 6.169 29.367 ( 0.035 -0.023 0.382) 0.385 29.398 ( 0.016 0.049 -0.270) 0.275 ======================= Grid point 108 (62/86) ======================= q-point: ( 0.19 0.56 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 7.379 1.661 8.214) 11.166 1.192 ( 3.503 -1.848 4.858) 6.268 1.339 ( -0.183 -1.394 1.710) 2.214 1.513 ( -1.152 -0.013 3.432) 3.621 1.531 ( -4.177 -2.263 -6.325) 7.910 1.657 ( 2.303 2.150 -0.534) 3.195 1.951 ( 0.568 3.448 -2.813) 4.486 2.053 ( 3.422 -3.560 -1.741) 5.236 2.358 ( 1.701 0.975 4.253) 4.683 2.423 ( -3.970 0.305 2.019) 4.464 2.595 ( -1.460 0.866 -0.338) 1.731 2.722 ( 0.870 1.036 -9.049) 9.149 3.116 ( -0.923 -4.186 -1.509) 4.544 3.285 ( 3.759 0.336 6.738) 7.723 3.380 ( 0.784 1.569 7.986) 8.176 3.523 ( -0.881 2.487 -5.607) 6.197 3.647 ( 0.094 -1.866 -4.294) 4.683 3.918 ( 4.652 -0.960 -3.088) 5.666 8.924 ( -2.144 1.905 1.647) 3.307 9.080 ( 1.068 -1.618 -0.774) 2.088 9.366 ( -1.248 0.013 0.827) 1.497 9.636 ( 1.651 0.716 -0.360) 1.835 9.733 ( -2.887 0.257 0.830) 3.015 9.987 ( 0.715 -2.101 1.781) 2.845 10.010 ( 2.833 0.880 -0.472) 3.003 10.082 ( 0.150 -0.081 -1.798) 1.806 10.178 ( -3.808 0.317 -0.289) 3.832 10.301 ( -0.555 -0.237 0.162) 0.625 27.283 ( 0.456 1.196 -1.688) 2.119 27.350 ( 2.782 2.479 -0.916) 3.837 27.471 ( 0.023 0.753 3.794) 3.868 27.583 ( -0.331 -1.354 -0.762) 1.589 27.859 ( -6.976 -3.795 3.274) 8.590 28.539 ( 2.546 0.566 -2.876) 3.883 29.377 ( -0.033 0.739 0.217) 0.771 29.393 ( 0.133 -0.415 -0.244) 0.499 ======================= Grid point 119 (63/86) ======================= q-point: ( 0.19 -0.69 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -0.996 1.065 -0.118) 1.463 1.133 ( -0.573 -2.515 -2.997) 3.954 1.220 ( -0.069 0.692 -0.787) 1.050 1.356 ( 1.344 -2.434 3.049) 4.126 1.517 ( 1.848 1.653 -0.863) 2.625 1.639 ( -1.506 -3.048 1.169) 3.595 1.875 ( 0.836 -3.483 -1.684) 3.958 1.897 ( -1.145 -2.160 1.569) 2.905 2.296 ( -0.034 4.217 -0.048) 4.217 2.431 ( 0.242 -2.345 0.051) 2.358 2.587 ( -0.110 2.267 -0.157) 2.275 2.729 ( 0.022 -3.532 0.905) 3.646 3.130 ( -0.110 1.365 -3.821) 4.060 3.223 ( 0.538 -3.027 1.049) 3.249 3.384 ( -1.267 1.793 3.956) 4.524 3.471 ( 0.901 -0.149 -1.654) 1.890 3.785 ( 0.185 1.344 0.447) 1.428 3.857 ( -0.209 -2.837 -1.072) 3.040 8.927 ( -0.083 2.367 1.403) 2.753 9.054 ( 0.084 -2.898 -1.421) 3.228 9.444 ( -0.068 3.494 -0.340) 3.512 9.602 ( 0.026 -3.291 0.529) 3.333 9.800 ( -0.042 2.831 1.483) 3.196 9.874 ( 0.075 -1.206 -1.226) 1.721 10.115 ( -0.354 1.276 0.116) 1.330 10.136 ( 1.519 1.585 -1.005) 2.414 10.174 ( -2.366 -0.129 -1.379) 2.742 10.219 ( 1.169 -2.266 1.754) 3.095 27.388 ( 0.485 2.256 1.955) 3.025 27.493 ( -1.022 -0.294 -0.480) 1.167 27.608 ( 1.386 0.811 -1.656) 2.307 27.670 ( -3.181 2.075 2.060) 4.321 27.776 ( 2.842 5.877 -1.671) 6.738 28.157 ( -0.493 -10.130 -0.225) 10.145 29.366 ( 0.006 0.769 0.313) 0.830 29.408 ( -0.014 -0.808 -0.192) 0.831 ======================= Grid point 122 (64/86) ======================= q-point: ( 0.19 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -5.198 12.818 0.000) 13.832 1.105 ( -2.982 5.055 0.000) 5.869 1.273 ( 4.567 -2.620 -0.000) 5.265 1.452 ( 0.864 -5.269 -0.000) 5.340 1.558 ( -4.044 -5.906 0.000) 7.158 1.673 ( 2.262 6.756 -0.000) 7.125 1.922 ( -0.102 1.147 0.000) 1.151 2.093 ( -2.227 -4.552 0.000) 5.068 2.269 ( -2.119 5.314 0.000) 5.721 2.489 ( -4.271 -4.808 0.000) 6.431 2.662 ( 1.611 -1.503 -0.000) 2.203 2.678 ( 4.156 0.234 -0.000) 4.162 2.998 ( -4.694 -1.238 0.000) 4.854 3.277 ( 3.697 7.950 -0.000) 8.767 3.529 ( -4.719 -3.973 0.000) 6.169 3.538 ( 2.176 2.490 -0.000) 3.307 3.659 ( 2.522 -7.045 -0.000) 7.483 3.916 ( -3.501 -2.915 0.000) 4.556 8.932 ( 1.817 3.434 -0.000) 3.885 9.053 ( -1.840 -1.752 0.000) 2.540 9.343 ( 1.070 1.878 -0.000) 2.161 9.690 ( 0.409 -2.219 -0.000) 2.256 9.721 ( 2.951 3.119 -0.000) 4.294 9.958 ( -3.740 -0.409 0.000) 3.763 10.033 ( 0.318 1.815 -0.000) 1.843 10.073 ( -0.131 -3.466 -0.000) 3.468 10.116 ( 0.650 2.621 -0.000) 2.701 10.318 ( 0.207 -1.456 -0.000) 1.470 27.332 ( 4.987 0.660 -0.000) 5.030 27.502 ( 5.531 -2.946 -0.000) 6.266 27.505 ( 0.207 2.627 0.000) 2.636 27.567 ( -2.248 -3.817 0.000) 4.430 27.655 ( -1.811 6.630 0.000) 6.873 28.504 ( -6.234 -2.196 0.000) 6.610 29.382 ( -0.554 -0.696 0.000) 0.890 29.397 ( 0.858 0.797 -0.000) 1.171 ======================= Grid point 127 (65/86) ======================= q-point: (-0.81 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -2.693 -2.380 0.000) 3.595 1.215 ( 1.551 1.979 -0.000) 2.514 1.315 ( -2.625 6.239 0.000) 6.768 1.356 ( 1.338 -6.490 -0.000) 6.627 1.494 ( -0.938 3.346 0.000) 3.475 1.688 ( -4.117 -3.871 0.000) 5.651 1.949 ( -0.669 2.880 0.000) 2.957 2.031 ( 3.498 -2.177 -0.000) 4.120 2.319 ( -3.966 0.089 0.000) 3.967 2.326 ( -2.556 3.810 0.000) 4.588 2.660 ( 1.242 -1.740 -0.000) 2.138 2.816 ( 0.325 -1.818 -0.000) 1.847 2.892 ( 0.447 4.750 0.000) 4.771 3.336 ( -5.978 -2.490 0.000) 6.476 3.470 ( 2.767 2.873 -0.000) 3.989 3.559 ( 0.716 -5.284 -0.000) 5.333 3.669 ( 4.919 3.238 -0.000) 5.889 3.760 ( -2.911 -4.737 0.000) 5.560 8.960 ( -2.612 -2.091 0.000) 3.345 9.037 ( 1.404 3.084 -0.000) 3.389 9.435 ( 2.927 2.437 -0.000) 3.809 9.618 ( -2.087 -3.469 0.000) 4.048 9.862 ( 3.890 2.796 -0.000) 4.791 9.871 ( -3.125 -0.674 0.000) 3.197 10.025 ( 0.642 -1.708 -0.000) 1.825 10.074 ( 1.117 0.681 -0.000) 1.308 10.193 ( 0.228 3.392 0.000) 3.400 10.269 ( -1.395 -1.866 0.000) 2.329 27.384 ( 3.886 -3.946 -0.000) 5.538 27.410 ( -1.930 -4.722 0.000) 5.101 27.537 ( -1.862 2.303 0.000) 2.962 27.576 ( 3.990 -2.068 -0.000) 4.494 27.886 ( 5.454 10.647 -0.000) 11.963 28.297 ( -9.362 -1.526 0.000) 9.486 29.355 ( -0.382 -0.783 0.000) 0.871 29.426 ( 0.256 0.596 -0.000) 0.649 ======================= Grid point 132 (66/86) ======================= q-point: ( 0.19 0.81 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 2.647 0.370 -0.000) 2.673 1.300 ( 3.883 1.730 -0.000) 4.251 1.390 ( 6.036 2.256 -0.000) 6.444 1.404 ( -4.351 5.076 0.000) 6.685 1.480 ( -4.725 1.150 0.000) 4.863 1.540 ( 0.506 -2.223 -0.000) 2.280 1.962 ( -3.322 -3.311 0.000) 4.690 2.035 ( 2.102 2.946 -0.000) 3.620 2.301 ( -5.090 2.710 0.000) 5.767 2.358 ( 0.829 3.081 -0.000) 3.191 2.637 ( 1.223 -2.660 -0.000) 2.927 2.679 ( -2.427 -3.373 0.000) 4.155 3.156 ( 7.476 7.278 -0.000) 10.434 3.207 ( -3.503 -0.194 0.000) 3.508 3.450 ( -4.317 -2.086 0.000) 4.795 3.553 ( 2.669 0.515 -0.000) 2.718 3.624 ( -0.089 -4.760 -0.000) 4.761 3.855 ( 5.332 3.127 -0.000) 6.182 8.876 ( -2.299 -0.517 0.000) 2.356 9.113 ( 1.175 1.179 -0.000) 1.665 9.475 ( -3.185 -3.756 0.000) 4.925 9.552 ( 3.337 1.999 -0.000) 3.890 9.785 ( -3.202 -1.348 0.000) 3.474 9.972 ( 1.004 2.173 -0.000) 2.394 10.018 ( 0.539 -0.420 -0.000) 0.683 10.115 ( 3.538 -1.257 -0.000) 3.755 10.190 ( -2.701 -1.353 0.000) 3.021 10.254 ( -0.455 2.348 0.000) 2.392 27.287 ( -1.965 -2.771 0.000) 3.397 27.373 ( 3.709 -3.998 -0.000) 5.453 27.557 ( 0.430 1.372 -0.000) 1.437 27.580 ( 1.505 -3.104 -0.000) 3.449 28.053 ( -10.171 -1.733 0.000) 10.317 28.245 ( 5.843 10.243 -0.000) 11.793 29.340 ( 0.001 -0.081 -0.000) 0.082 29.429 ( -0.253 -0.249 0.000) 0.355 ======================= Grid point 136 (67/86) ======================= q-point: ( 0.19 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 1.938 -3.573 11.692) 12.379 1.041 ( 0.739 -8.745 6.613) 10.988 1.283 ( 0.670 0.034 -6.029) 6.066 1.533 ( 0.644 1.695 2.478) 3.070 1.580 ( -1.291 -0.286 1.269) 1.833 1.628 ( -0.445 -3.447 -0.381) 3.496 1.897 ( -0.784 -1.319 -1.965) 2.493 2.043 ( 3.132 0.761 -3.327) 4.632 2.302 ( -4.852 1.652 5.092) 7.225 2.501 ( -0.433 2.023 0.590) 2.152 2.647 ( 0.254 -0.997 -6.007) 6.095 2.767 ( 4.660 1.480 -3.025) 5.750 3.018 ( -4.521 -0.094 0.482) 4.548 3.233 ( 3.227 -4.507 7.818) 9.583 3.359 ( -1.467 -0.418 3.786) 4.082 3.598 ( -0.836 -0.457 -3.547) 3.673 3.642 ( 2.807 2.930 -4.648) 6.170 3.789 ( -0.891 -4.611 -6.023) 7.637 8.975 ( -1.599 0.559 2.008) 2.627 9.048 ( 1.290 0.111 -1.028) 1.653 9.402 ( 1.309 0.205 2.436) 2.773 9.599 ( -0.135 -2.191 -1.574) 2.701 9.807 ( 1.258 2.364 1.431) 3.036 9.905 ( -1.733 -0.834 0.517) 1.992 10.018 ( 0.344 -0.477 -0.948) 1.115 10.073 ( 0.631 -0.701 0.039) 0.944 10.267 ( 0.177 3.328 -0.421) 3.359 10.291 ( -1.984 0.851 -0.120) 2.162 27.264 ( 1.304 -2.633 -0.842) 3.056 27.328 ( 2.261 -4.461 -2.333) 5.518 27.503 ( -0.731 1.389 3.401) 3.746 27.596 ( -0.422 1.599 1.050) 1.959 27.972 ( 0.669 7.836 4.820) 9.224 28.450 ( -3.787 -1.992 -4.831) 6.454 29.360 ( -0.820 -0.038 0.025) 0.821 29.413 ( 1.031 -0.215 0.038) 1.054 ======================= Grid point 137 (68/86) ======================= q-point: ( 0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 2.119 1.855 -0.000) 2.816 1.262 ( -9.482 -3.186 0.000) 10.003 1.288 ( -10.387 -1.682 0.000) 10.522 1.426 ( 5.113 1.171 -0.000) 5.245 1.573 ( -1.925 1.708 0.000) 2.574 1.617 ( 3.211 2.330 -0.000) 3.967 1.893 ( 1.365 -0.146 -0.000) 1.372 2.135 ( 5.758 1.643 -0.000) 5.988 2.341 ( -5.589 0.220 0.000) 5.593 2.353 ( 0.144 7.402 0.000) 7.403 2.608 ( 0.519 -1.926 -0.000) 1.995 2.637 ( 2.470 -1.400 -0.000) 2.839 3.139 ( -1.060 -2.517 0.000) 2.731 3.299 ( -6.863 -0.359 0.000) 6.872 3.471 ( 7.916 6.299 -0.000) 10.116 3.533 ( -1.191 -3.044 0.000) 3.268 3.619 ( 3.254 -0.213 -0.000) 3.261 3.994 ( 3.394 0.654 -0.000) 3.457 8.843 ( -1.968 1.360 0.000) 2.392 9.126 ( 0.326 -1.300 -0.000) 1.340 9.364 ( -1.613 -1.589 0.000) 2.264 9.651 ( 2.946 1.055 -0.000) 3.129 9.687 ( -3.017 -1.174 0.000) 3.237 10.007 ( -0.689 1.485 0.000) 1.638 10.024 ( -0.074 0.252 0.000) 0.263 10.104 ( -3.253 -0.607 0.000) 3.310 10.162 ( 4.650 -3.051 -0.000) 5.561 10.281 ( -0.287 1.539 0.000) 1.565 27.217 ( -1.597 -0.176 0.000) 1.606 27.389 ( 3.317 -1.355 -0.000) 3.583 27.519 ( -1.497 -2.205 0.000) 2.665 27.614 ( 3.136 0.361 -0.000) 3.156 27.807 ( -8.271 -2.837 0.000) 8.744 28.520 ( 3.656 5.731 -0.000) 6.798 29.351 ( 0.125 0.769 -0.000) 0.779 29.413 ( -0.101 -0.649 -0.000) 0.657 ======================= Grid point 140 (69/86) ======================= q-point: ( 0.19 0.56 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 3.106 -2.671 9.203) 10.074 1.038 ( 7.995 0.359 11.123) 13.703 1.397 ( 5.660 2.774 -3.145) 7.044 1.429 ( -1.252 -5.445 -1.990) 5.931 1.599 ( 1.105 1.232 -0.681) 1.789 1.601 ( -0.703 0.465 -1.714) 1.910 1.913 ( -1.177 1.601 2.415) 3.127 2.086 ( 2.342 -3.073 -2.567) 4.639 2.265 ( -3.463 4.638 4.896) 7.581 2.506 ( -0.892 0.193 -0.145) 0.924 2.614 ( 0.106 -1.414 -4.924) 5.124 2.756 ( -4.171 -1.337 -5.771) 7.245 3.091 ( 6.580 2.938 4.736) 8.623 3.209 ( 1.861 -3.553 1.982) 4.474 3.344 ( -1.063 1.913 6.116) 6.496 3.556 ( -1.925 -0.861 -2.192) 3.041 3.680 ( -0.437 -1.117 -8.283) 8.369 3.807 ( 5.458 0.615 -3.161) 6.337 8.936 ( -2.422 1.097 0.818) 2.782 9.083 ( 1.523 -0.815 -0.293) 1.752 9.400 ( -0.191 -1.431 3.754) 4.022 9.587 ( 1.307 0.306 -2.835) 3.137 9.810 ( -3.046 -0.698 1.405) 3.427 9.922 ( 2.758 1.376 0.120) 3.084 10.008 ( 0.201 -0.806 1.189) 1.451 10.078 ( 0.725 -0.453 -0.958) 1.284 10.246 ( -3.225 0.488 -0.137) 3.265 10.313 ( -0.941 1.349 -0.528) 1.727 27.263 ( 2.540 -1.154 -1.100) 2.999 27.286 ( 1.079 -1.876 -2.377) 3.214 27.486 ( -1.921 0.400 4.476) 4.887 27.604 ( -0.537 0.226 -0.943) 1.108 28.065 ( -4.127 -1.135 7.851) 8.942 28.412 ( 1.394 4.266 -6.623) 8.001 29.356 ( -0.277 0.852 -0.154) 0.909 29.411 ( 0.220 -1.065 0.075) 1.090 ======================= Grid point 141 (70/86) ======================= q-point: ( 0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 3.469 4.885 -0.000) 5.992 1.182 ( -8.603 -4.036 0.000) 9.503 1.211 ( -12.838 -4.957 0.000) 13.762 1.440 ( 5.776 0.396 -0.000) 5.790 1.619 ( -5.685 2.520 0.000) 6.219 1.626 ( 5.131 -1.746 -0.000) 5.420 1.904 ( 0.361 1.149 -0.000) 1.204 2.141 ( 5.992 -1.466 -0.000) 6.169 2.321 ( -5.922 -2.143 0.000) 6.298 2.476 ( 2.283 4.003 -0.000) 4.608 2.621 ( 0.817 2.301 -0.000) 2.442 2.631 ( 2.310 0.899 -0.000) 2.479 3.075 ( -0.608 -3.000 0.000) 3.061 3.267 ( -6.922 -2.175 0.000) 7.255 3.508 ( -1.982 0.563 0.000) 2.060 3.583 ( 7.685 3.853 -0.000) 8.597 3.601 ( 3.426 -1.375 -0.000) 3.692 3.977 ( 3.153 -2.067 -0.000) 3.770 8.885 ( -2.694 2.371 0.000) 3.589 9.091 ( 0.730 -1.796 -0.000) 1.938 9.339 ( -1.333 -0.646 0.000) 1.482 9.673 ( 2.252 1.040 -0.000) 2.480 9.681 ( -2.989 0.727 0.000) 3.076 10.018 ( -0.385 -1.027 0.000) 1.097 10.030 ( -1.205 0.142 0.000) 1.214 10.095 ( 4.489 -2.531 -0.000) 5.154 10.102 ( -2.840 0.446 0.000) 2.875 10.307 ( 0.539 0.890 -0.000) 1.040 27.246 ( -1.653 2.865 0.000) 3.307 27.407 ( 2.734 2.982 -0.000) 4.046 27.495 ( -1.794 -0.055 0.000) 1.795 27.605 ( 3.637 -1.188 -0.000) 3.826 27.729 ( -7.242 -4.201 0.000) 8.373 28.578 ( 3.013 -0.417 -0.000) 3.042 29.373 ( -0.310 1.231 0.000) 1.269 29.397 ( 0.320 -0.805 -0.000) 0.867 ======================= Grid point 143 (71/86) ======================= q-point: ( 0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -0.000 -0.000 12.833) 12.833 0.549 ( -0.000 -0.000 12.833) 12.833 0.911 ( -0.000 -0.000 21.753) 21.753 1.487 ( -0.000 -0.000 8.943) 8.943 1.546 ( 0.000 0.000 -7.173) 7.173 1.546 ( 0.000 0.000 -7.173) 7.173 2.020 ( 0.000 0.000 -3.958) 3.958 2.020 ( 0.000 0.000 -3.958) 3.958 2.420 ( -0.000 -0.000 6.240) 6.240 2.420 ( -0.000 -0.000 6.240) 6.240 2.757 ( 0.000 0.000 -6.897) 6.897 2.903 ( -0.000 -0.000 4.785) 4.785 2.903 ( -0.000 -0.000 4.785) 4.785 2.970 ( 0.000 0.000 -8.478) 8.478 3.356 ( -0.000 -0.000 1.942) 1.942 3.741 ( 0.000 0.000 -5.792) 5.792 3.764 ( 0.000 0.000 -5.670) 5.670 3.764 ( 0.000 0.000 -5.670) 5.670 9.048 ( 0.000 0.000 -1.359) 1.359 9.048 ( 0.000 0.000 -1.359) 1.359 9.220 ( -0.000 -0.000 5.598) 5.598 9.567 ( -0.000 -0.000 0.979) 0.979 9.892 ( -0.000 -0.000 1.161) 1.161 9.960 ( 0.000 0.000 -4.755) 4.755 9.984 ( -0.000 -0.000 1.650) 1.650 9.984 ( -0.000 -0.000 1.650) 1.650 10.353 ( -0.000 -0.000 1.053) 1.053 10.366 ( 0.000 0.000 -1.190) 1.190 27.227 ( 0.000 0.000 -2.270) 2.270 27.227 ( 0.000 0.000 -2.270) 2.270 27.601 ( -0.000 -0.000 2.267) 2.267 27.601 ( -0.000 -0.000 2.267) 2.267 28.005 ( -0.000 -0.000 5.792) 5.792 28.507 ( 0.000 0.000 -4.440) 4.440 29.367 ( -0.000 -0.000 0.404) 0.404 29.398 ( 0.000 0.000 -0.248) 0.248 ======================= Grid point 144 (72/86) ======================= q-point: ( 0.25 0.50 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 4.292 0.689 11.387) 12.188 1.045 ( 8.981 -0.352 8.688) 12.501 1.316 ( 1.006 -3.682 -4.669) 6.030 1.482 ( 3.696 3.861 1.483) 5.547 1.596 ( 2.941 -0.343 0.841) 3.078 1.620 ( -1.394 0.633 -0.411) 1.585 1.939 ( 0.137 -0.789 -1.260) 1.493 2.012 ( 0.782 -1.683 -2.152) 2.841 2.357 ( -2.343 1.618 3.483) 4.499 2.489 ( -1.845 -0.170 2.659) 3.241 2.619 ( -0.613 1.792 -3.564) 4.036 2.724 ( -1.254 -1.055 -7.925) 8.093 3.115 ( 1.491 -3.283 1.003) 3.742 3.168 ( 5.817 2.145 6.763) 9.175 3.370 ( -0.297 0.393 5.711) 5.733 3.566 ( -2.011 1.856 -5.389) 6.044 3.651 ( -0.366 -1.652 -5.634) 5.883 3.807 ( 5.531 -0.591 -4.544) 7.183 8.969 ( -2.033 1.664 1.754) 3.159 9.055 ( 1.159 -1.505 -0.864) 2.087 9.384 ( -0.153 0.141 2.583) 2.591 9.597 ( 1.977 0.397 -1.508) 2.518 9.797 ( -3.106 -0.282 0.740) 3.206 9.933 ( 2.258 -0.580 -0.294) 2.350 10.006 ( -0.413 0.641 1.416) 1.608 10.069 ( 1.112 -0.279 -0.871) 1.440 10.258 ( -3.652 0.573 -0.187) 3.701 10.321 ( -1.205 -0.640 -0.308) 1.399 27.252 ( 2.110 -0.097 -1.203) 2.431 27.281 ( 3.423 1.492 -1.955) 4.215 27.505 ( -3.020 0.840 4.387) 5.392 27.601 ( -1.190 -0.312 -0.165) 1.241 28.005 ( -6.415 -3.298 5.499) 9.070 28.480 ( 2.980 1.223 -5.206) 6.122 29.376 ( 0.065 0.128 0.389) 0.415 29.391 ( 0.008 0.080 -0.383) 0.392 ======================= Grid point 159 (73/86) ======================= q-point: (-0.75 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.045 -0.090 0.000) 0.100 1.106 ( 0.045 0.090 0.000) 0.100 1.280 ( -1.852 -3.704 0.000) 4.142 1.280 ( 1.852 3.704 -0.000) 4.142 1.572 ( -1.497 -2.995 0.000) 3.348 1.572 ( 1.497 2.995 0.000) 3.348 1.857 ( -0.589 -1.177 -0.000) 1.316 1.857 ( 0.589 1.177 0.000) 1.316 2.375 ( -1.401 -2.803 0.000) 3.134 2.375 ( 1.401 2.803 0.000) 3.134 2.650 ( -1.602 -3.205 0.000) 3.583 2.650 ( 1.602 3.205 0.000) 3.583 3.165 ( -0.963 -1.926 0.000) 2.153 3.165 ( 0.963 1.926 0.000) 2.153 3.439 ( -1.179 -2.358 0.000) 2.636 3.439 ( 1.179 2.358 -0.000) 2.636 3.813 ( -0.665 -1.329 0.000) 1.486 3.813 ( 0.665 1.329 0.000) 1.486 8.987 ( -1.436 -2.872 0.000) 3.211 8.987 ( 1.436 2.872 0.000) 3.211 9.524 ( -1.751 -3.503 0.000) 3.916 9.524 ( 1.751 3.503 0.000) 3.916 9.847 ( -0.710 -1.420 0.000) 1.587 9.847 ( 0.710 1.420 0.000) 1.587 10.150 ( -0.723 -1.445 -0.000) 1.616 10.150 ( 0.723 1.445 -0.000) 1.616 10.174 ( -0.712 -1.424 0.000) 1.592 10.174 ( 0.712 1.424 0.000) 1.592 27.447 ( -1.371 -2.742 0.000) 3.066 27.447 ( 1.371 2.742 -0.000) 3.066 27.653 ( -1.083 -2.166 0.000) 2.422 27.653 ( 1.083 2.166 0.000) 2.422 27.949 ( -4.184 -8.368 0.000) 9.356 27.949 ( 4.184 8.368 0.000) 9.356 29.387 ( -0.491 -0.983 0.000) 1.099 29.387 ( 0.491 0.983 0.000) 1.099 ======================= Grid point 164 (74/86) ======================= q-point: (-0.75 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -5.362 -2.891 0.000) 6.091 1.149 ( 4.200 -4.089 -0.000) 5.862 1.351 ( -0.467 -7.555 -0.000) 7.569 1.384 ( -3.374 9.337 0.000) 9.928 1.516 ( -1.820 3.330 0.000) 3.795 1.739 ( 1.013 -0.413 -0.000) 1.094 1.952 ( 0.691 2.000 -0.000) 2.116 1.967 ( 0.259 -6.252 -0.000) 6.258 2.386 ( -3.121 5.351 0.000) 6.195 2.415 ( -3.880 -2.402 0.000) 4.563 2.621 ( 2.500 -2.335 -0.000) 3.420 2.708 ( 5.917 1.911 -0.000) 6.218 2.994 ( -5.838 0.957 0.000) 5.916 3.414 ( 2.141 4.712 -0.000) 5.175 3.443 ( -3.285 -4.729 0.000) 5.758 3.519 ( 2.000 -5.117 -0.000) 5.494 3.584 ( 3.007 1.994 -0.000) 3.608 3.828 ( -3.158 -5.179 0.000) 6.066 8.998 ( 2.351 2.648 -0.000) 3.541 9.018 ( -2.742 -1.474 0.000) 3.113 9.386 ( 1.559 2.228 -0.000) 2.719 9.642 ( -0.179 -2.645 -0.000) 2.651 9.782 ( 3.010 2.650 -0.000) 4.010 9.938 ( -3.201 -1.443 0.000) 3.511 10.019 ( 0.006 -1.446 -0.000) 1.446 10.062 ( 0.496 0.942 -0.000) 1.065 10.185 ( 0.510 3.708 0.000) 3.743 10.293 ( -0.858 -0.768 0.000) 1.152 27.313 ( 2.834 -2.183 -0.000) 3.577 27.407 ( 2.831 -5.153 -0.000) 5.879 27.528 ( -0.384 -0.480 0.000) 0.615 27.560 ( 0.451 2.548 -0.000) 2.588 27.825 ( -0.569 9.144 0.000) 9.162 28.456 ( -5.271 -2.461 0.000) 5.818 29.368 ( -0.849 -0.581 0.000) 1.029 29.410 ( 1.194 0.432 -0.000) 1.270 ======================= Grid point 169 (75/86) ======================= q-point: ( 0.25 0.75 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -1.233 -0.755 0.000) 1.446 1.199 ( 5.729 -0.809 -0.000) 5.786 1.255 ( 5.118 -1.527 -0.000) 5.341 1.489 ( -2.669 7.110 0.000) 7.594 1.557 ( -2.016 2.160 0.000) 2.954 1.558 ( -3.419 -7.633 0.000) 8.363 1.986 ( 2.311 -1.746 -0.000) 2.896 2.012 ( 0.302 2.836 0.000) 2.852 2.333 ( -0.349 1.232 0.000) 1.280 2.395 ( -3.824 2.225 0.000) 4.424 2.617 ( 1.155 -1.992 -0.000) 2.303 2.761 ( -3.618 -2.961 0.000) 4.675 3.020 ( 4.500 6.330 -0.000) 7.767 3.285 ( -3.449 -2.851 0.000) 4.475 3.485 ( 0.883 -1.166 -0.000) 1.462 3.505 ( 1.866 0.683 -0.000) 1.987 3.649 ( -2.533 -5.475 0.000) 6.033 3.734 ( 5.741 2.653 -0.000) 6.325 8.932 ( -2.900 -0.416 0.000) 2.930 9.082 ( 1.756 0.982 -0.000) 2.012 9.487 ( 2.827 2.436 -0.000) 3.732 9.536 ( -2.456 -4.065 0.000) 4.750 9.854 ( -3.158 -0.953 0.000) 3.298 9.907 ( 4.287 1.401 -0.000) 4.511 10.006 ( 0.468 -0.088 -0.000) 0.476 10.080 ( 0.358 -0.208 -0.000) 0.414 10.243 ( -2.385 -0.555 0.000) 2.448 10.262 ( -0.264 2.907 0.000) 2.919 27.302 ( 2.834 -3.410 -0.000) 4.434 27.321 ( -0.758 -3.600 0.000) 3.679 27.542 ( 1.504 -0.927 -0.000) 1.767 27.573 ( -1.714 1.078 0.000) 2.024 28.115 ( 5.903 10.571 -0.000) 12.108 28.255 ( -8.510 -2.696 0.000) 8.927 29.345 ( -0.479 -0.042 0.000) 0.480 29.428 ( 0.324 -0.374 -0.000) 0.495 ======================= Grid point 174 (76/86) ======================= q-point: ( 0.25 0.75 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 3.634 0.851 -0.000) 3.732 1.315 ( 4.371 -1.440 -0.000) 4.602 1.389 ( -0.551 -2.878 0.000) 2.931 1.480 ( -0.682 0.133 0.000) 0.695 1.498 ( 1.048 5.785 -0.000) 5.879 1.572 ( 0.147 2.136 0.000) 2.141 1.913 ( -3.019 -0.921 0.000) 3.156 2.067 ( 1.842 -0.222 -0.000) 1.856 2.372 ( -1.757 3.555 0.000) 3.965 2.419 ( -0.278 2.642 0.000) 2.657 2.598 ( 0.145 -0.523 -0.000) 0.542 2.606 ( -1.222 -3.281 0.000) 3.501 3.173 ( -2.000 -2.905 0.000) 3.527 3.301 ( 7.897 6.236 -0.000) 10.062 3.437 ( -5.780 -0.348 0.000) 5.790 3.536 ( 0.785 -2.640 -0.000) 2.754 3.555 ( 2.762 -0.344 -0.000) 2.783 3.897 ( 5.554 0.694 -0.000) 5.597 8.890 ( -2.464 1.756 0.000) 3.026 9.110 ( 1.173 -1.250 -0.000) 1.714 9.408 ( -2.392 -2.471 0.000) 3.439 9.593 ( 2.631 1.872 -0.000) 3.229 9.757 ( -3.519 -1.111 0.000) 3.690 10.004 ( 2.171 0.805 -0.000) 2.316 10.024 ( 0.096 0.844 0.000) 0.849 10.075 ( 2.306 -2.436 -0.000) 3.354 10.173 ( -3.321 -0.263 0.000) 3.331 10.292 ( -0.726 1.206 0.000) 1.407 27.252 ( -1.398 -0.451 0.000) 1.469 27.319 ( 3.295 -0.860 -0.000) 3.405 27.532 ( -0.168 -1.217 -0.000) 1.228 27.571 ( 0.819 -0.080 -0.000) 0.823 27.994 ( -9.070 -3.953 0.000) 9.894 28.427 ( 5.018 6.573 -0.000) 8.269 29.350 ( -0.084 1.008 0.000) 1.011 29.414 ( 0.025 -1.032 -0.000) 1.032 ======================= Grid point 178 (77/86) ======================= q-point: ( 0.25 0.50 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.889 -2.571 11.450) 11.769 0.885 ( 5.451 -3.782 9.610) 11.678 1.299 ( 2.694 1.176 -1.799) 3.446 1.466 ( -1.897 -6.274 -0.117) 6.556 1.525 ( 5.011 -2.002 -0.137) 5.398 1.616 ( -0.398 0.515 1.657) 1.780 1.923 ( -0.083 2.458 -0.684) 2.553 2.029 ( 2.547 -2.430 -2.744) 4.463 2.369 ( -5.425 4.549 3.147) 7.748 2.524 ( -0.467 -0.153 2.188) 2.242 2.619 ( -0.843 -0.583 -6.769) 6.847 2.795 ( 1.579 0.202 -4.078) 4.378 3.009 ( -0.097 -0.036 3.591) 3.593 3.141 ( 4.210 -3.981 4.994) 7.649 3.374 ( -1.403 1.271 4.103) 4.519 3.593 ( -1.533 -0.099 -4.262) 4.531 3.677 ( 1.535 -0.047 -6.754) 6.926 3.711 ( 2.334 -1.944 -5.073) 5.913 8.987 ( -2.194 0.715 0.586) 2.381 9.048 ( 1.635 -0.251 -0.501) 1.728 9.385 ( 1.322 -1.478 4.666) 5.070 9.568 ( 0.446 -0.647 -2.663) 2.777 9.852 ( -0.614 1.559 0.278) 1.698 9.896 ( -0.580 0.044 -0.007) 0.582 10.010 ( -0.229 -0.285 0.529) 0.643 10.054 ( 1.382 -0.993 0.263) 1.722 10.308 ( -2.332 1.100 -0.147) 2.583 10.330 ( -0.617 1.908 -0.426) 2.050 27.220 ( 1.359 -1.349 -1.206) 2.263 27.249 ( 2.050 -2.804 -1.865) 3.943 27.546 ( -3.139 2.515 3.303) 5.204 27.621 ( -0.732 0.663 0.731) 1.229 28.100 ( 0.061 3.309 7.437) 8.140 28.415 ( -1.061 -0.749 -6.996) 7.116 29.365 ( -0.545 0.512 0.090) 0.753 29.402 ( 0.562 -0.679 -0.056) 0.883 ======================= Grid point 179 (78/86) ======================= q-point: ( 0.31 0.69 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 4.985 3.587 -0.000) 6.142 1.224 ( 2.751 -5.718 -0.000) 6.345 1.363 ( 5.045 -0.546 -0.000) 5.074 1.446 ( -7.446 -2.428 0.000) 7.832 1.567 ( -1.270 -2.184 0.000) 2.527 1.643 ( 1.935 6.575 -0.000) 6.854 1.924 ( -2.412 1.517 0.000) 2.849 2.022 ( 5.013 -3.583 -0.000) 6.162 2.438 ( 1.157 1.954 -0.000) 2.271 2.443 ( -5.029 -1.329 0.000) 5.202 2.572 ( 2.762 1.045 -0.000) 2.953 2.617 ( -0.481 2.299 0.000) 2.348 3.099 ( -1.553 -4.064 0.000) 4.351 3.404 ( -5.365 -1.423 0.000) 5.550 3.414 ( 8.035 4.313 -0.000) 9.120 3.534 ( 2.749 -1.697 -0.000) 3.230 3.536 ( -0.844 1.643 0.000) 1.847 3.884 ( 5.498 -1.837 -0.000) 5.797 8.941 ( -2.484 2.794 0.000) 3.739 9.071 ( 1.138 -2.235 -0.000) 2.508 9.375 ( -1.971 -0.538 0.000) 2.043 9.628 ( 2.258 1.339 -0.000) 2.625 9.747 ( -3.182 0.396 0.000) 3.207 10.000 ( 4.280 -1.930 -0.000) 4.695 10.026 ( -0.431 -1.181 0.000) 1.257 10.046 ( -0.436 1.011 0.000) 1.100 10.175 ( -3.784 0.347 0.000) 3.800 10.304 ( -0.276 -0.055 0.000) 0.281 27.266 ( 0.132 1.569 0.000) 1.575 27.339 ( 3.639 2.602 -0.000) 4.473 27.533 ( -2.044 1.155 0.000) 2.348 27.555 ( 0.957 -1.311 -0.000) 1.624 27.895 ( -8.252 -4.879 0.000) 9.586 28.507 ( 3.751 0.695 -0.000) 3.815 29.379 ( -0.235 1.598 0.000) 1.615 29.390 ( 0.328 -1.172 -0.000) 1.217 ======================= Grid point 183 (79/86) ======================= q-point: ( 0.31 0.44 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.805 0.772 11.054) 11.111 0.856 ( 7.810 -0.826 8.994) 11.940 1.298 ( 0.997 -1.866 4.595) 5.059 1.416 ( 1.096 3.262 -2.775) 4.421 1.497 ( 5.725 -0.837 -0.445) 5.802 1.623 ( 0.563 -0.042 2.292) 2.360 1.947 ( -0.626 -2.046 -2.417) 3.228 1.986 ( 1.993 1.214 -2.058) 3.112 2.447 ( -5.149 0.168 2.848) 5.887 2.508 ( -0.460 0.338 2.331) 2.400 2.633 ( -0.847 0.862 -3.846) 4.031 2.766 ( -2.220 -1.244 -6.175) 6.679 3.045 ( 3.812 2.058 5.267) 6.820 3.067 ( 4.393 -1.854 2.923) 5.593 3.391 ( -1.322 0.002 4.075) 4.284 3.600 ( -1.370 0.827 -5.603) 5.827 3.655 ( 0.069 -0.793 -5.786) 5.840 3.701 ( 4.111 -0.086 -5.462) 6.837 9.007 ( -1.493 0.956 0.385) 1.814 9.034 ( 0.792 -0.928 -0.899) 1.516 9.365 ( 1.656 0.055 5.206) 5.463 9.564 ( 0.901 0.046 -2.465) 2.625 9.860 ( -2.702 -0.373 -0.329) 2.747 9.906 ( 0.440 0.261 -0.365) 0.629 10.011 ( -0.085 0.312 1.303) 1.343 10.037 ( 1.779 -0.276 0.173) 1.809 10.325 ( -2.391 0.372 -0.185) 2.427 10.346 ( -1.106 -0.390 -0.318) 1.215 27.209 ( 1.622 -0.168 -1.245) 2.051 27.217 ( 2.318 0.360 -1.649) 2.867 27.585 ( -3.982 0.201 2.792) 4.868 27.626 ( -0.969 0.079 0.896) 1.322 28.109 ( -2.890 -1.112 7.133) 7.776 28.423 ( 1.988 0.601 -6.651) 6.968 29.375 ( -0.003 -0.024 0.444) 0.445 29.391 ( -0.014 0.070 -0.373) 0.380 ======================= Grid point 207 (80/86) ======================= q-point: (-0.69 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -4.172 -3.182 0.000) 5.247 1.068 ( 6.183 -3.276 -0.000) 6.997 1.194 ( 0.433 -4.328 -0.000) 4.349 1.507 ( 0.305 1.157 -0.000) 1.196 1.586 ( -1.106 2.058 0.000) 2.336 1.666 ( -3.972 -5.273 0.000) 6.602 1.889 ( 4.024 -0.388 -0.000) 4.043 2.006 ( 0.561 2.462 -0.000) 2.525 2.385 ( -3.487 -0.283 0.000) 3.499 2.478 ( -4.314 2.961 0.000) 5.233 2.570 ( 3.453 -1.912 -0.000) 3.946 2.745 ( 4.814 1.374 -0.000) 5.006 3.024 ( -4.128 1.390 0.000) 4.356 3.319 ( 1.154 -6.337 -0.000) 6.441 3.467 ( -0.428 -0.306 0.000) 0.526 3.475 ( 0.818 1.418 -0.000) 1.638 3.626 ( 4.235 1.852 -0.000) 4.622 3.709 ( -2.741 -5.715 0.000) 6.338 8.994 ( -2.788 -0.717 0.000) 2.879 9.038 ( 2.343 1.086 -0.000) 2.582 9.435 ( 1.896 2.272 -0.000) 2.959 9.572 ( -0.847 -3.845 0.000) 3.937 9.832 ( 2.300 2.062 -0.000) 3.089 9.907 ( -1.640 -1.259 0.000) 2.068 10.006 ( -0.675 0.006 0.000) 0.675 10.071 ( 0.734 -0.087 -0.000) 0.739 10.264 ( 0.127 3.503 0.000) 3.505 10.290 ( -1.933 0.460 0.000) 1.987 27.256 ( 1.518 -2.823 -0.000) 3.205 27.305 ( 2.017 -4.317 -0.000) 4.765 27.536 ( -0.940 1.235 0.000) 1.552 27.606 ( -0.606 1.675 0.000) 1.781 28.028 ( 1.390 9.707 0.000) 9.806 28.394 ( -4.167 -3.563 0.000) 5.483 29.360 ( -0.946 -0.073 0.000) 0.949 29.413 ( 1.153 -0.215 -0.000) 1.173 ======================= Grid point 212 (81/86) ======================= q-point: ( 0.31 0.69 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 1.875 -1.665 -0.000) 2.507 1.184 ( 7.954 -1.069 -0.000) 8.026 1.324 ( 6.775 6.813 -0.000) 9.608 1.386 ( -0.747 -8.042 -0.000) 8.077 1.587 ( -2.211 1.106 0.000) 2.472 1.591 ( -1.013 2.411 0.000) 2.615 1.969 ( -0.559 0.157 0.000) 0.581 2.036 ( 1.221 -1.653 -0.000) 2.054 2.379 ( 1.417 3.320 -0.000) 3.610 2.419 ( -2.981 0.875 0.000) 3.106 2.599 ( 0.180 0.443 -0.000) 0.478 2.687 ( -4.756 -4.174 0.000) 6.327 3.146 ( 6.537 5.467 -0.000) 8.521 3.210 ( -0.960 -3.977 0.000) 4.091 3.498 ( 1.134 1.333 -0.000) 1.750 3.508 ( 1.555 -0.279 -0.000) 1.580 3.546 ( -3.342 -3.521 0.000) 4.854 3.770 ( 6.150 0.553 -0.000) 6.175 8.943 ( -2.429 1.401 0.000) 2.804 9.080 ( 1.587 -1.010 -0.000) 1.881 9.458 ( -2.179 -3.054 0.000) 3.752 9.536 ( 2.823 2.111 -0.000) 3.525 9.830 ( -3.261 -1.183 0.000) 3.469 9.924 ( 3.809 0.352 -0.000) 3.825 10.019 ( 0.391 1.121 -0.000) 1.188 10.065 ( -0.089 -1.169 -0.000) 1.172 10.244 ( -3.304 0.485 0.000) 3.339 10.309 ( -0.833 1.402 0.000) 1.631 27.253 ( 2.741 -1.020 -0.000) 2.925 27.262 ( 0.673 -1.920 -0.000) 2.034 27.543 ( -1.148 1.129 0.000) 1.610 27.582 ( -1.719 -0.242 0.000) 1.736 28.176 ( -7.796 -4.765 0.000) 9.137 28.313 ( 5.521 7.623 -0.000) 9.412 29.355 ( -0.375 0.961 0.000) 1.032 29.411 ( 0.257 -1.159 -0.000) 1.187 ======================= Grid point 217 (82/86) ======================= q-point: ( 0.38 0.62 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 4.007 2.976 -0.000) 4.991 1.140 ( 7.406 -3.335 -0.000) 8.122 1.241 ( 1.958 -4.972 -0.000) 5.344 1.464 ( 4.133 4.650 -0.000) 6.221 1.606 ( -0.798 -0.544 0.000) 0.966 1.632 ( -0.096 3.871 0.000) 3.872 1.939 ( 2.345 -6.227 -0.000) 6.654 1.986 ( -2.185 1.155 0.000) 2.471 2.436 ( -1.146 -0.503 0.000) 1.251 2.471 ( 1.287 4.880 -0.000) 5.047 2.586 ( -3.635 -5.089 0.000) 6.253 2.639 ( -1.395 3.788 0.000) 4.037 3.121 ( -0.027 -4.466 -0.000) 4.466 3.251 ( 7.228 4.432 -0.000) 8.478 3.477 ( -1.562 -1.214 0.000) 1.978 3.493 ( 1.038 -1.197 -0.000) 1.585 3.557 ( -1.382 2.477 0.000) 2.837 3.757 ( 6.096 -1.633 -0.000) 6.311 8.986 ( -1.638 2.442 0.000) 2.940 9.046 ( 1.166 -2.088 -0.000) 2.391 9.418 ( -2.003 -0.530 0.000) 2.072 9.570 ( 3.239 0.995 -0.000) 3.388 9.812 ( -2.951 -0.250 0.000) 2.962 9.925 ( 2.528 -0.273 -0.000) 2.542 10.034 ( -0.149 -1.632 -0.000) 1.639 10.047 ( 0.313 1.407 -0.000) 1.441 10.256 ( -3.743 0.541 0.000) 3.781 10.318 ( -1.006 -0.554 0.000) 1.149 27.240 ( 1.966 -0.116 -0.000) 1.970 27.261 ( 3.471 1.584 -0.000) 3.816 27.564 ( -1.697 -1.296 0.000) 2.136 27.583 ( -2.573 2.209 0.000) 3.392 28.069 ( -7.954 -4.555 0.000) 9.166 28.418 ( 4.555 2.014 -0.000) 4.980 29.383 ( -0.106 1.544 0.000) 1.548 29.384 ( 0.152 -1.287 -0.000) 1.296 ======================= Grid point 221 (83/86) ======================= q-point: ( 0.38 0.38 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -0.000 -0.000 9.020) 9.020 0.764 ( -0.000 -0.000 9.020) 9.020 1.291 ( -0.000 -0.000 17.499) 17.499 1.415 ( 0.000 0.000 -5.999) 5.999 1.415 ( 0.000 0.000 -5.999) 5.999 1.615 ( -0.000 -0.000 2.936) 2.936 1.955 ( 0.000 0.000 -2.642) 2.642 1.955 ( 0.000 0.000 -2.642) 2.642 2.515 ( -0.000 -0.000 3.491) 3.491 2.515 ( -0.000 -0.000 3.491) 3.491 2.644 ( 0.000 0.000 -3.578) 3.578 2.799 ( 0.000 0.000 -8.910) 8.910 3.001 ( -0.000 -0.000 4.831) 4.831 3.001 ( -0.000 -0.000 4.831) 4.831 3.409 ( -0.000 -0.000 3.684) 3.684 3.620 ( 0.000 0.000 -6.592) 6.592 3.652 ( 0.000 0.000 -5.369) 5.369 3.652 ( 0.000 0.000 -5.369) 5.369 9.025 ( 0.000 0.000 -0.913) 0.913 9.025 ( 0.000 0.000 -0.913) 0.913 9.341 ( -0.000 -0.000 6.767) 6.767 9.556 ( 0.000 0.000 -2.585) 2.585 9.894 ( 0.000 0.000 -1.638) 1.638 9.904 ( 0.000 0.000 -0.067) 0.067 10.011 ( -0.000 -0.000 1.115) 1.115 10.011 ( -0.000 -0.000 1.115) 1.115 10.350 ( 0.000 0.000 -0.337) 0.337 10.361 ( 0.000 0.000 -0.159) 0.159 27.191 ( 0.000 0.000 -1.347) 1.347 27.191 ( 0.000 0.000 -1.347) 1.347 27.637 ( -0.000 -0.000 1.345) 1.345 27.637 ( -0.000 -0.000 1.345) 1.345 28.132 ( -0.000 -0.000 7.194) 7.194 28.404 ( 0.000 0.000 -6.234) 6.234 29.375 ( -0.000 -0.000 0.464) 0.464 29.392 ( 0.000 0.000 -0.356) 0.356 ======================= Grid point 252 (84/86) ======================= q-point: ( 0.38 0.62 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.090 -5.401 -0.000) 5.402 1.007 ( 7.860 -2.719 -0.000) 8.317 1.237 ( 0.961 6.153 0.000) 6.227 1.419 ( -1.280 -7.226 0.000) 7.338 1.599 ( 0.265 -1.224 -0.000) 1.253 1.602 ( 0.325 -0.159 -0.000) 0.361 1.922 ( 3.091 2.545 -0.000) 4.004 2.010 ( 1.384 -2.783 -0.000) 3.108 2.411 ( -3.722 2.791 0.000) 4.653 2.511 ( -5.751 0.887 0.000) 5.819 2.572 ( 2.637 1.984 -0.000) 3.300 2.744 ( 0.700 -2.144 -0.000) 2.255 3.053 ( 1.230 1.905 -0.000) 2.268 3.192 ( 2.696 -5.470 -0.000) 6.098 3.483 ( -0.020 1.185 0.000) 1.185 3.490 ( 0.188 0.240 -0.000) 0.305 3.606 ( -2.223 -3.496 0.000) 4.143 3.652 ( 4.697 0.398 -0.000) 4.714 8.990 ( -1.947 0.396 0.000) 1.987 9.044 ( 1.745 -0.437 -0.000) 1.799 9.478 ( 2.323 1.693 -0.000) 2.875 9.494 ( -1.103 -3.172 0.000) 3.359 9.870 ( 1.188 1.549 -0.000) 1.952 9.885 ( -1.671 -0.911 0.000) 1.903 10.013 ( -0.098 0.641 0.000) 0.649 10.058 ( 0.824 -1.110 -0.000) 1.382 10.308 ( -2.524 1.036 0.000) 2.728 10.324 ( -0.472 1.993 0.000) 2.048 27.208 ( 1.417 -1.429 -0.000) 2.012 27.231 ( 1.848 -2.600 -0.000) 3.190 27.579 ( -1.971 2.645 0.000) 3.298 27.627 ( -1.845 0.218 0.000) 1.858 28.215 ( 2.954 7.486 -0.000) 8.048 28.304 ( -3.808 -4.789 0.000) 6.119 29.366 ( -0.689 0.622 0.000) 0.928 29.402 ( 0.663 -0.775 -0.000) 1.020 ======================= Grid point 257 (85/86) ======================= q-point: ( 0.44 0.56 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 2.720 2.054 -0.000) 3.408 0.953 ( 7.964 -1.997 -0.000) 8.210 1.283 ( -4.122 -4.851 0.000) 6.366 1.378 ( 3.011 5.570 -0.000) 6.332 1.591 ( 1.883 0.308 -0.000) 1.908 1.594 ( 2.877 -0.210 -0.000) 2.885 1.923 ( -0.258 -3.494 -0.000) 3.503 1.973 ( 2.938 2.101 -0.000) 3.612 2.491 ( -3.745 -2.952 0.000) 4.769 2.492 ( -3.359 4.385 0.000) 5.523 2.648 ( -1.627 -6.371 0.000) 6.576 2.661 ( -0.376 5.607 0.000) 5.619 3.092 ( 2.470 -3.873 -0.000) 4.593 3.116 ( 5.179 3.826 -0.000) 6.439 3.489 ( -0.524 -0.300 0.000) 0.604 3.494 ( -0.449 -0.233 0.000) 0.506 3.584 ( -0.856 1.452 0.000) 1.686 3.642 ( 4.345 -1.177 -0.000) 4.502 9.010 ( -0.643 1.389 0.000) 1.531 9.024 ( 0.780 -1.315 -0.000) 1.528 9.454 ( -1.284 -0.345 0.000) 1.329 9.501 ( 2.847 0.408 -0.000) 2.876 9.867 ( -2.118 -0.641 0.000) 2.213 9.895 ( 0.479 0.626 -0.000) 0.789 10.030 ( 0.461 -1.340 -0.000) 1.417 10.034 ( 0.818 1.248 -0.000) 1.492 10.325 ( -2.501 0.430 0.000) 2.538 10.341 ( -0.999 -0.442 0.000) 1.092 27.198 ( 1.723 -0.512 -0.000) 1.798 27.201 ( 2.069 0.706 -0.000) 2.186 27.615 ( -2.669 -1.243 0.000) 2.944 27.631 ( -1.710 1.599 0.000) 2.341 28.214 ( -5.245 -2.812 0.000) 5.951 28.322 ( 4.093 2.222 -0.000) 4.657 29.383 ( -0.034 -0.904 -0.000) 0.904 29.384 ( -0.016 0.957 0.000) 0.957 ======================= Grid point 297 (86/86) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.10e-04 1.10e-04 2.71e-05 2.71e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -0.000 -0.000 0.000) 0.000 0.860 ( -0.000 -0.000 0.000) 0.000 1.348 ( -0.000 -0.000 0.000) 0.000 1.348 ( -0.000 -0.000 0.000) 0.000 1.556 ( 0.000 0.000 -9.199) 9.199 1.556 ( -0.000 -0.000 9.199) 9.199 1.928 ( -0.000 -0.000 0.000) 0.000 1.928 ( -0.000 -0.000 0.000) 0.000 2.549 ( -0.000 -0.000 0.000) 0.000 2.549 ( -0.000 -0.000 0.000) 0.000 2.657 ( 0.000 0.000 -4.863) 4.863 2.657 ( -0.000 -0.000 4.863) 4.863 3.055 ( -0.000 -0.000 0.000) 0.000 3.055 ( -0.000 -0.000 0.000) 0.000 3.499 ( 0.000 0.000 -5.697) 5.697 3.499 ( -0.000 -0.000 5.697) 5.697 3.592 ( -0.000 -0.000 0.000) 0.000 3.592 ( -0.000 -0.000 0.000) 0.000 9.016 ( -0.000 -0.000 0.000) 0.000 9.016 ( -0.000 -0.000 0.000) 0.000 9.468 ( 0.000 0.000 -6.115) 6.115 9.468 ( -0.000 -0.000 6.115) 6.115 9.893 ( 0.000 0.000 -0.826) 0.826 9.893 ( -0.000 -0.000 0.826) 0.826 10.023 ( -0.000 -0.000 0.000) 0.000 10.023 ( -0.000 -0.000 0.000) 0.000 10.353 ( 0.000 0.000 -0.507) 0.507 10.353 ( -0.000 -0.000 0.507) 0.507 27.178 ( -0.000 -0.000 0.000) 0.000 27.178 ( -0.000 -0.000 0.000) 0.000 27.650 ( -0.000 -0.000 0.000) 0.000 27.650 ( -0.000 -0.000 0.000) 0.000 28.273 ( 0.000 0.000 -7.281) 7.281 28.273 ( -0.000 -0.000 7.281) 7.281 29.384 ( 0.000 0.000 -0.437) 0.437 29.384 ( -0.000 -0.000 0.437) 0.437 =================== 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 3/18432 10.0 48.207 48.207 52.241 -0.000 -0.000 -0.000 3/18432 20.0 12.173 12.173 11.890 -0.000 -0.000 -0.000 3/18432 30.0 5.608 5.608 5.420 -0.000 -0.000 -0.000 3/18432 40.0 3.468 3.468 3.358 -0.000 -0.000 -0.000 3/18432 50.0 2.502 2.502 2.432 -0.000 -0.000 -0.000 3/18432 60.0 1.969 1.969 1.919 -0.000 -0.000 -0.000 3/18432 70.0 1.636 1.636 1.595 -0.000 -0.000 -0.000 3/18432 80.0 1.410 1.410 1.372 -0.000 -0.000 -0.000 3/18432 90.0 1.247 1.247 1.209 -0.000 -0.000 -0.000 3/18432 100.0 1.123 1.123 1.084 -0.000 -0.000 -0.000 3/18432 110.0 1.026 1.026 0.985 -0.000 -0.000 -0.000 3/18432 120.0 0.947 0.947 0.905 -0.000 -0.000 -0.000 3/18432 130.0 0.882 0.882 0.837 -0.000 -0.000 -0.000 3/18432 140.0 0.827 0.827 0.780 -0.000 -0.000 -0.000 3/18432 150.0 0.780 0.780 0.732 -0.000 -0.000 -0.000 3/18432 160.0 0.739 0.739 0.689 -0.000 -0.000 -0.000 3/18432 170.0 0.703 0.703 0.652 -0.000 -0.000 -0.000 3/18432 180.0 0.671 0.671 0.619 -0.000 -0.000 -0.000 3/18432 190.0 0.643 0.643 0.590 -0.000 -0.000 -0.000 3/18432 200.0 0.619 0.619 0.565 -0.000 -0.000 -0.000 3/18432 210.0 0.596 0.596 0.542 -0.000 -0.000 -0.000 3/18432 220.0 0.577 0.577 0.521 -0.000 -0.000 -0.000 3/18432 230.0 0.559 0.559 0.502 -0.000 -0.000 -0.000 3/18432 240.0 0.542 0.542 0.485 -0.000 -0.000 -0.000 3/18432 250.0 0.528 0.528 0.469 -0.000 -0.000 -0.000 3/18432 260.0 0.514 0.514 0.455 -0.000 -0.000 -0.000 3/18432 270.0 0.502 0.502 0.442 -0.000 -0.000 -0.000 3/18432 280.0 0.490 0.490 0.430 -0.000 -0.000 -0.000 3/18432 290.0 0.480 0.480 0.419 -0.000 -0.000 -0.000 3/18432 300.0 0.470 0.470 0.408 -0.000 -0.000 -0.000 3/18432 310.0 0.461 0.461 0.399 -0.000 -0.000 -0.000 3/18432 320.0 0.452 0.452 0.390 -0.000 -0.000 -0.000 3/18432 330.0 0.444 0.444 0.381 -0.000 -0.000 -0.000 3/18432 340.0 0.436 0.436 0.373 -0.000 -0.000 -0.000 3/18432 350.0 0.429 0.429 0.365 -0.000 -0.000 -0.000 3/18432 360.0 0.422 0.422 0.358 -0.000 -0.000 -0.000 3/18432 370.0 0.415 0.415 0.351 -0.000 -0.000 -0.000 3/18432 380.0 0.409 0.409 0.345 -0.000 -0.000 -0.000 3/18432 390.0 0.403 0.403 0.339 -0.000 -0.000 -0.000 3/18432 400.0 0.397 0.397 0.333 -0.000 -0.000 -0.000 3/18432 410.0 0.392 0.392 0.327 -0.000 -0.000 -0.000 3/18432 420.0 0.386 0.386 0.322 -0.000 -0.000 -0.000 3/18432 430.0 0.381 0.381 0.316 -0.000 -0.000 -0.000 3/18432 440.0 0.376 0.376 0.311 -0.000 -0.000 -0.000 3/18432 450.0 0.371 0.371 0.307 -0.000 -0.000 -0.000 3/18432 460.0 0.366 0.366 0.302 -0.000 -0.000 -0.000 3/18432 470.0 0.361 0.361 0.297 -0.000 -0.000 -0.000 3/18432 480.0 0.357 0.357 0.293 -0.000 -0.000 -0.000 3/18432 490.0 0.352 0.352 0.289 -0.000 -0.000 -0.000 3/18432 500.0 0.348 0.348 0.285 -0.000 -0.000 -0.000 3/18432 510.0 0.344 0.344 0.281 -0.000 -0.000 -0.000 3/18432 520.0 0.340 0.340 0.277 -0.000 -0.000 -0.000 3/18432 530.0 0.336 0.336 0.273 -0.000 -0.000 -0.000 3/18432 540.0 0.332 0.332 0.270 -0.000 -0.000 -0.000 3/18432 550.0 0.328 0.328 0.266 -0.000 -0.000 -0.000 3/18432 560.0 0.325 0.325 0.263 -0.000 -0.000 -0.000 3/18432 570.0 0.321 0.321 0.259 -0.000 -0.000 -0.000 3/18432 580.0 0.317 0.317 0.256 -0.000 -0.000 -0.000 3/18432 590.0 0.314 0.314 0.253 -0.000 -0.000 -0.000 3/18432 600.0 0.311 0.311 0.250 -0.000 -0.000 -0.000 3/18432 610.0 0.307 0.307 0.247 -0.000 -0.000 -0.000 3/18432 620.0 0.304 0.304 0.244 -0.000 -0.000 -0.000 3/18432 630.0 0.301 0.301 0.241 -0.000 -0.000 -0.000 3/18432 640.0 0.298 0.298 0.238 -0.000 -0.000 -0.000 3/18432 650.0 0.295 0.295 0.235 -0.000 -0.000 -0.000 3/18432 660.0 0.292 0.292 0.233 -0.000 -0.000 -0.000 3/18432 670.0 0.289 0.289 0.230 -0.000 -0.000 -0.000 3/18432 680.0 0.286 0.286 0.228 -0.000 -0.000 -0.000 3/18432 690.0 0.283 0.283 0.225 -0.000 -0.000 -0.000 3/18432 700.0 0.280 0.280 0.223 -0.000 -0.000 -0.000 3/18432 710.0 0.277 0.277 0.220 -0.000 -0.000 -0.000 3/18432 720.0 0.275 0.275 0.218 -0.000 -0.000 -0.000 3/18432 730.0 0.272 0.272 0.216 -0.000 -0.000 -0.000 3/18432 740.0 0.269 0.269 0.213 -0.000 -0.000 -0.000 3/18432 750.0 0.267 0.267 0.211 -0.000 -0.000 -0.000 3/18432 760.0 0.264 0.264 0.209 -0.000 -0.000 -0.000 3/18432 770.0 0.262 0.262 0.207 -0.000 -0.000 -0.000 3/18432 780.0 0.260 0.260 0.205 -0.000 -0.000 -0.000 3/18432 790.0 0.257 0.257 0.203 -0.000 -0.000 -0.000 3/18432 800.0 0.255 0.255 0.201 -0.000 -0.000 -0.000 3/18432 810.0 0.253 0.253 0.199 -0.000 -0.000 -0.000 3/18432 820.0 0.250 0.250 0.197 -0.000 -0.000 -0.000 3/18432 830.0 0.248 0.248 0.195 -0.000 -0.000 -0.000 3/18432 840.0 0.246 0.246 0.193 -0.000 -0.000 -0.000 3/18432 850.0 0.244 0.244 0.192 -0.000 -0.000 -0.000 3/18432 860.0 0.242 0.242 0.190 -0.000 -0.000 -0.000 3/18432 870.0 0.240 0.240 0.188 -0.000 -0.000 -0.000 3/18432 880.0 0.238 0.238 0.186 -0.000 -0.000 -0.000 3/18432 890.0 0.236 0.236 0.185 -0.000 -0.000 -0.000 3/18432 900.0 0.234 0.234 0.183 -0.000 -0.000 -0.000 3/18432 910.0 0.232 0.232 0.182 -0.000 -0.000 -0.000 3/18432 920.0 0.230 0.230 0.180 -0.000 -0.000 -0.000 3/18432 930.0 0.228 0.228 0.178 -0.000 -0.000 -0.000 3/18432 940.0 0.226 0.226 0.177 -0.000 -0.000 -0.000 3/18432 950.0 0.224 0.224 0.175 -0.000 -0.000 -0.000 3/18432 960.0 0.223 0.223 0.174 -0.000 -0.000 -0.000 3/18432 970.0 0.221 0.221 0.172 -0.000 -0.000 -0.000 3/18432 980.0 0.219 0.219 0.171 -0.000 -0.000 -0.000 3/18432 990.0 0.217 0.217 0.170 -0.000 -0.000 -0.000 3/18432 1000.0 0.216 0.216 0.168 -0.000 -0.000 -0.000 3/18432 Thermal conductivity related properties were written into "kappa-m4816.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:59:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|