# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/f9771381-db14-4337-8356-2c0a87eea5a8/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for P2PdO6 / Pmna (53) / materials id 29274](https://mdr.nims.go.jp/datasets/f50d4443-b718-4663-a755-be6335e8fefd) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:58:34]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmna (53)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 12.421540269999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.594143589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.329597600000000Atomic positions (fractional): *1 O 0.75000000000000 0.64569374517712 0.75000000000000 15.999 2 O 0.75000000000000 0.35430625482288 0.25000000000000 15.999 3 O 0.25000000000000 0.35430625482288 0.25000000000000 15.999 4 O 0.25000000000000 0.64569374517712 0.75000000000000 15.999 *5 O 0.61299235549351 0.26130785845032 0.83103550411598 15.999 6 O 0.88700764450649 0.73869214154968 0.33103550411598 15.999 7 O 0.38700764450649 0.26130785845032 0.83103550411598 15.999 8 O 0.11299235549351 0.73869214154968 0.33103550411598 15.999 9 O 0.11299235549351 0.26130785845032 0.66896449588402 15.999 10 O 0.38700764450649 0.73869214154968 0.16896449588402 15.999 11 O 0.61299235549351 0.73869214154968 0.16896449588402 15.999 12 O 0.88700764450649 0.26130785845032 0.66896449588402 15.999 *13 P 0.82832456547409 0.50000000000000 0.50000000000000 30.974 14 P 0.67167543452591 0.50000000000000 0.00000000000000 30.974 15 P 0.17167543452591 0.50000000000000 0.50000000000000 30.974 16 P 0.32832456547409 0.50000000000000 0.00000000000000 30.974 *17 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 18 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420-------------------------------- unit cell ---------------------------------Lattice vectors: a 12.421540269999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.594143589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.329597600000000Atomic positions (fractional): *1 O 0.75000000000000 0.64569374517712 0.75000000000000 15.999 > 1 2 O 0.75000000000000 0.35430625482288 0.25000000000000 15.999 > 2 3 O 0.25000000000000 0.35430625482288 0.25000000000000 15.999 > 3 4 O 0.25000000000000 0.64569374517712 0.75000000000000 15.999 > 4 *5 O 0.61299235549351 0.26130785845032 0.83103550411598 15.999 > 5 6 O 0.88700764450649 0.73869214154968 0.33103550411598 15.999 > 6 7 O 0.38700764450649 0.26130785845032 0.83103550411598 15.999 > 7 8 O 0.11299235549351 0.73869214154968 0.33103550411598 15.999 > 8 9 O 0.11299235549351 0.26130785845032 0.66896449588402 15.999 > 9 10 O 0.38700764450649 0.73869214154968 0.16896449588402 15.999 > 10 11 O 0.61299235549351 0.73869214154968 0.16896449588402 15.999 > 11 12 O 0.88700764450649 0.26130785845032 0.66896449588402 15.999 > 12 *13 P 0.82832456547409 0.50000000000000 0.50000000000000 30.974 > 13 14 P 0.67167543452591 0.50000000000000 0.00000000000000 30.974 > 14 15 P 0.17167543452591 0.50000000000000 0.50000000000000 30.974 > 15 16 P 0.32832456547409 0.50000000000000 0.00000000000000 30.974 > 16 *17 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 17 18 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 18-------------------------------- super cell --------------------------------Lattice vectors: a 12.421540269999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.188287179999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.988792799999999Atomic positions (fractional): *1 O 0.75000000000000 0.32284687258856 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.82284687258856 0.25000000000000 15.999 > 1 3 O 0.75000000000000 0.32284687258856 0.58333333333333 15.999 > 1 4 O 0.75000000000000 0.82284687258856 0.58333333333333 15.999 > 1 5 O 0.75000000000000 0.32284687258856 0.91666666666667 15.999 > 1 6 O 0.75000000000000 0.82284687258856 0.91666666666667 15.999 > 1 7 O 0.75000000000000 0.17715312741144 0.08333333333333 15.999 > 2 8 O 0.75000000000000 0.67715312741144 0.08333333333333 15.999 > 2 9 O 0.75000000000000 0.17715312741144 0.41666666666667 15.999 > 2 10 O 0.75000000000000 0.67715312741144 0.41666666666667 15.999 > 2 11 O 0.75000000000000 0.17715312741144 0.75000000000000 15.999 > 2 12 O 0.75000000000000 0.67715312741144 0.75000000000000 15.999 > 2 13 O 0.25000000000000 0.17715312741144 0.08333333333333 15.999 > 3 14 O 0.25000000000000 0.67715312741144 0.08333333333333 15.999 > 3 15 O 0.25000000000000 0.17715312741144 0.41666666666667 15.999 > 3 16 O 0.25000000000000 0.67715312741144 0.41666666666667 15.999 > 3 17 O 0.25000000000000 0.17715312741144 0.75000000000000 15.999 > 3 18 O 0.25000000000000 0.67715312741144 0.75000000000000 15.999 > 3 19 O 0.25000000000000 0.32284687258856 0.25000000000000 15.999 > 4 20 O 0.25000000000000 0.82284687258856 0.25000000000000 15.999 > 4 21 O 0.25000000000000 0.32284687258856 0.58333333333333 15.999 > 4 22 O 0.25000000000000 0.82284687258856 0.58333333333333 15.999 > 4 23 O 0.25000000000000 0.32284687258856 0.91666666666667 15.999 > 4 24 O 0.25000000000000 0.82284687258856 0.91666666666667 15.999 > 4 *25 O 0.61299235549351 0.13065392922516 0.27701183470533 15.999 > 5 26 O 0.61299235549351 0.63065392922516 0.27701183470533 15.999 > 5 27 O 0.61299235549351 0.13065392922516 0.61034516803866 15.999 > 5 28 O 0.61299235549351 0.63065392922516 0.61034516803866 15.999 > 5 29 O 0.61299235549351 0.13065392922516 0.94367850137199 15.999 > 5 30 O 0.61299235549351 0.63065392922516 0.94367850137199 15.999 > 5 31 O 0.88700764450649 0.36934607077484 0.11034516803866 15.999 > 6 32 O 0.88700764450649 0.86934607077484 0.11034516803866 15.999 > 6 33 O 0.88700764450649 0.36934607077484 0.44367850137199 15.999 > 6 34 O 0.88700764450649 0.86934607077484 0.44367850137199 15.999 > 6 35 O 0.88700764450649 0.36934607077484 0.77701183470533 15.999 > 6 36 O 0.88700764450649 0.86934607077484 0.77701183470533 15.999 > 6 37 O 0.38700764450649 0.13065392922516 0.27701183470533 15.999 > 7 38 O 0.38700764450649 0.63065392922516 0.27701183470533 15.999 > 7 39 O 0.38700764450649 0.13065392922516 0.61034516803866 15.999 > 7 40 O 0.38700764450649 0.63065392922516 0.61034516803866 15.999 > 7 41 O 0.38700764450649 0.13065392922516 0.94367850137199 15.999 > 7 42 O 0.38700764450649 0.63065392922516 0.94367850137199 15.999 > 7 43 O 0.11299235549351 0.36934607077484 0.11034516803866 15.999 > 8 44 O 0.11299235549351 0.86934607077484 0.11034516803866 15.999 > 8 45 O 0.11299235549351 0.36934607077484 0.44367850137199 15.999 > 8 46 O 0.11299235549351 0.86934607077484 0.44367850137199 15.999 > 8 47 O 0.11299235549351 0.36934607077484 0.77701183470533 15.999 > 8 48 O 0.11299235549351 0.86934607077484 0.77701183470533 15.999 > 8 49 O 0.11299235549351 0.13065392922516 0.22298816529467 15.999 > 9 50 O 0.11299235549351 0.63065392922516 0.22298816529467 15.999 > 9 51 O 0.11299235549351 0.13065392922516 0.55632149862801 15.999 > 9 52 O 0.11299235549351 0.63065392922516 0.55632149862801 15.999 > 9 53 O 0.11299235549351 0.13065392922516 0.88965483196134 15.999 > 9 54 O 0.11299235549351 0.63065392922516 0.88965483196134 15.999 > 9 55 O 0.38700764450649 0.36934607077484 0.05632149862801 15.999 > 10 56 O 0.38700764450649 0.86934607077484 0.05632149862801 15.999 > 10 57 O 0.38700764450649 0.36934607077484 0.38965483196134 15.999 > 10 58 O 0.38700764450649 0.86934607077484 0.38965483196134 15.999 > 10 59 O 0.38700764450649 0.36934607077484 0.72298816529467 15.999 > 10 60 O 0.38700764450649 0.86934607077484 0.72298816529467 15.999 > 10 61 O 0.61299235549351 0.36934607077484 0.05632149862801 15.999 > 11 62 O 0.61299235549351 0.86934607077484 0.05632149862801 15.999 > 11 63 O 0.61299235549351 0.36934607077484 0.38965483196134 15.999 > 11 64 O 0.61299235549351 0.86934607077484 0.38965483196134 15.999 > 11 65 O 0.61299235549351 0.36934607077484 0.72298816529467 15.999 > 11 66 O 0.61299235549351 0.86934607077484 0.72298816529467 15.999 > 11 67 O 0.88700764450649 0.13065392922516 0.22298816529467 15.999 > 12 68 O 0.88700764450649 0.63065392922516 0.22298816529467 15.999 > 12 69 O 0.88700764450649 0.13065392922516 0.55632149862801 15.999 > 12 70 O 0.88700764450649 0.63065392922516 0.55632149862801 15.999 > 12 71 O 0.88700764450649 0.13065392922516 0.88965483196134 15.999 > 12 72 O 0.88700764450649 0.63065392922516 0.88965483196134 15.999 > 12 *73 P 0.82832456547409 0.25000000000000 0.16666666666667 30.974 > 13 74 P 0.82832456547409 0.75000000000000 0.16666666666667 30.974 > 13 75 P 0.82832456547409 0.25000000000000 0.50000000000000 30.974 > 13 76 P 0.82832456547409 0.75000000000000 0.50000000000000 30.974 > 13 77 P 0.82832456547409 0.25000000000000 0.83333333333333 30.974 > 13 78 P 0.82832456547409 0.75000000000000 0.83333333333333 30.974 > 13 79 P 0.67167543452591 0.25000000000000 0.00000000000000 30.974 > 14 80 P 0.67167543452591 0.75000000000000 0.00000000000000 30.974 > 14 81 P 0.67167543452591 0.25000000000000 0.33333333333333 30.974 > 14 82 P 0.67167543452591 0.75000000000000 0.33333333333333 30.974 > 14 83 P 0.67167543452591 0.25000000000000 0.66666666666667 30.974 > 14 84 P 0.67167543452591 0.75000000000000 0.66666666666667 30.974 > 14 85 P 0.17167543452591 0.25000000000000 0.16666666666667 30.974 > 15 86 P 0.17167543452591 0.75000000000000 0.16666666666667 30.974 > 15 87 P 0.17167543452591 0.25000000000000 0.50000000000000 30.974 > 15 88 P 0.17167543452591 0.75000000000000 0.50000000000000 30.974 > 15 89 P 0.17167543452591 0.25000000000000 0.83333333333333 30.974 > 15 90 P 0.17167543452591 0.75000000000000 0.83333333333333 30.974 > 15 91 P 0.32832456547409 0.25000000000000 0.00000000000000 30.974 > 16 92 P 0.32832456547409 0.75000000000000 0.00000000000000 30.974 > 16 93 P 0.32832456547409 0.25000000000000 0.33333333333333 30.974 > 16 94 P 0.32832456547409 0.75000000000000 0.33333333333333 30.974 > 16 95 P 0.32832456547409 0.25000000000000 0.66666666666667 30.974 > 16 96 P 0.32832456547409 0.75000000000000 0.66666666666667 30.974 > 16 *97 Pd 0.00000000000000 0.00000000000000 0.16666666666667 106.420 > 17 98 Pd 0.00000000000000 0.50000000000000 0.16666666666667 106.420 > 17 99 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 17 100 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 17 101 Pd 0.00000000000000 0.00000000000000 0.83333333333333 106.420 > 17 102 Pd 0.00000000000000 0.50000000000000 0.83333333333333 106.420 > 17 103 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 18 104 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 18 105 Pd 0.50000000000000 0.00000000000000 0.33333333333333 106.420 > 18 106 Pd 0.50000000000000 0.50000000000000 0.33333333333333 106.420 > 18 107 Pd 0.50000000000000 0.00000000000000 0.66666666666667 106.420 > 18 108 Pd 0.50000000000000 0.50000000000000 0.66666666666667 106.420 > 18----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.5990921 0.0000000 0.0000000 0.0000000 3.3895834 0.0000000 0.0000000 0.0000000 2.6522324-------------------------- Born effective charges -------------------------- 1 O -2.3867270 0.0000000 1.2057780 0.0000000 -1.1615324 0.0000000 1.2356037 0.0000000 -2.1867189 2 O -2.3867270 0.0000000 -1.2057780 0.0000000 -1.1615324 0.0000000 -1.2356037 0.0000000 -2.1867189 3 O -2.3867270 0.0000000 1.2057780 0.0000000 -1.1615324 0.0000000 1.2356037 0.0000000 -2.1867189 4 O -2.3867270 0.0000000 -1.2057780 0.0000000 -1.1615324 0.0000000 -1.2356037 0.0000000 -2.1867189 5 O -1.6591026 -1.0188163 -0.2046372 -0.8393237 -1.8137899 -0.4452076 0.1554279 0.1133254 -0.7937555 6 O -1.6591026 -1.0188163 0.2046372 -0.8393237 -1.8137899 0.4452076 -0.1554279 -0.1133254 -0.7937555 7 O -1.6591026 1.0188163 0.2046372 0.8393237 -1.8137899 -0.4452076 -0.1554279 0.1133254 -0.7937555 8 O -1.6591026 1.0188163 -0.2046372 0.8393237 -1.8137899 0.4452076 0.1554279 -0.1133254 -0.7937555 9 O -1.6591026 -1.0188163 0.2046372 -0.8393237 -1.8137899 0.4452076 -0.1554279 -0.1133254 -0.7937555 10 O -1.6591026 -1.0188163 -0.2046372 -0.8393237 -1.8137899 -0.4452076 0.1554279 0.1133254 -0.7937555 11 O -1.6591026 1.0188163 0.2046372 0.8393237 -1.8137899 -0.4452076 -0.1554279 0.1133254 -0.7937555 12 O -1.6591026 1.0188163 -0.2046372 0.8393237 -1.8137899 0.4452076 0.1554279 -0.1133254 -0.7937555 13 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 -1.4893237 0.0000000 0.7929099 3.4927106 14 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 1.4893237 0.0000000 -0.7929099 3.4927106 15 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 -1.4893237 0.0000000 0.7929099 3.4927106 16 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 1.4893237 0.0000000 -0.7929099 3.4927106 17 Pd 2.3229116 0.0000000 0.0000000 0.0000000 2.0969757 0.7381917 0.0000000 0.5326526 0.5630387 18 Pd 2.3229116 0.0000000 0.0000000 0.0000000 2.0969757 -0.7381917 0.0000000 -0.5326526 0.5630387----------------------------------------------------------------------------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: 324/324Permutation basis: 9126/9126Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1212Number of blocks in projector: 1212Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 248Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 232Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 164Use standard eigh solver.Tree of FC basis block matrices:- (1212, 1188), data: False|-- (164, 160), data: True|-- (164, 160), data: True|-- (164, 160), data: True|-- (232, 230), data: True|-- (240, 236), data: True|-- (248, 242), data: True-----Solver_atoms: 1 -- 108 / 108Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 320 - Time: 0.304Solver_block: 200 / 320 - Time: 0.281Solver_block: 300 / 320 - Time: 0.276Solver_block: 320 / 320 - Time: 0.092Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.971--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324Permutation basis: 9126/9126Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1212Number of blocks in projector: 1212Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 248Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 240Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 232Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 164Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 164Use standard eigh solver.Tree of FC basis block matrices:- (1212, 1188), data: False|-- (164, 160), data: True|-- (164, 160), data: True|-- (164, 160), data: True|-- (232, 230), data: True|-- (240, 236), data: True|-- (248, 242), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 07:58:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:58:46]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmna (53)------------------------------ primitive cell ------------------------------Lattice vectors: a 12.421540269999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.594143589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.329597600000000Atomic positions (fractional): 1 O 0.75000000000000 0.64569374517712 0.75000000000000 15.999 2 O 0.75000000000000 0.35430625482288 0.25000000000000 15.999 3 O 0.25000000000000 0.35430625482288 0.25000000000000 15.999 4 O 0.25000000000000 0.64569374517712 0.75000000000000 15.999 5 O 0.61299235549351 0.26130785845032 0.83103550411598 15.999 6 O 0.88700764450649 0.73869214154968 0.33103550411598 15.999 7 O 0.38700764450649 0.26130785845032 0.83103550411598 15.999 8 O 0.11299235549351 0.73869214154968 0.33103550411598 15.999 9 O 0.11299235549351 0.26130785845032 0.66896449588402 15.999 10 O 0.38700764450649 0.73869214154968 0.16896449588402 15.999 11 O 0.61299235549351 0.73869214154968 0.16896449588402 15.999 12 O 0.88700764450649 0.26130785845032 0.66896449588402 15.999 13 P 0.82832456547409 0.50000000000000 0.50000000000000 30.974 14 P 0.67167543452591 0.50000000000000 0.00000000000000 30.974 15 P 0.17167543452591 0.50000000000000 0.50000000000000 30.974 16 P 0.32832456547409 0.50000000000000 0.00000000000000 30.974 17 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 18 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420-------------------------------- supercell ---------------------------------Lattice vectors: a 12.421540269999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.188287179999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.988792799999999Atomic positions (fractional): 1 O 0.75000000000000 0.32284687258856 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.82284687258856 0.25000000000000 15.999 > 1 3 O 0.75000000000000 0.32284687258856 0.58333333333333 15.999 > 1 4 O 0.75000000000000 0.82284687258856 0.58333333333333 15.999 > 1 5 O 0.75000000000000 0.32284687258856 0.91666666666667 15.999 > 1 6 O 0.75000000000000 0.82284687258856 0.91666666666667 15.999 > 1 7 O 0.75000000000000 0.17715312741144 0.08333333333333 15.999 > 7 8 O 0.75000000000000 0.67715312741144 0.08333333333333 15.999 > 7 9 O 0.75000000000000 0.17715312741144 0.41666666666667 15.999 > 7 10 O 0.75000000000000 0.67715312741144 0.41666666666667 15.999 > 7 11 O 0.75000000000000 0.17715312741144 0.75000000000000 15.999 > 7 12 O 0.75000000000000 0.67715312741144 0.75000000000000 15.999 > 7 13 O 0.25000000000000 0.17715312741144 0.08333333333333 15.999 > 13 14 O 0.25000000000000 0.67715312741144 0.08333333333333 15.999 > 13 15 O 0.25000000000000 0.17715312741144 0.41666666666667 15.999 > 13 16 O 0.25000000000000 0.67715312741144 0.41666666666667 15.999 > 13 17 O 0.25000000000000 0.17715312741144 0.75000000000000 15.999 > 13 18 O 0.25000000000000 0.67715312741144 0.75000000000000 15.999 > 13 19 O 0.25000000000000 0.32284687258856 0.25000000000000 15.999 > 19 20 O 0.25000000000000 0.82284687258856 0.25000000000000 15.999 > 19 21 O 0.25000000000000 0.32284687258856 0.58333333333333 15.999 > 19 22 O 0.25000000000000 0.82284687258856 0.58333333333333 15.999 > 19 23 O 0.25000000000000 0.32284687258856 0.91666666666667 15.999 > 19 24 O 0.25000000000000 0.82284687258856 0.91666666666667 15.999 > 19 25 O 0.61299235549351 0.13065392922516 0.27701183470533 15.999 > 25 26 O 0.61299235549351 0.63065392922516 0.27701183470533 15.999 > 25 27 O 0.61299235549351 0.13065392922516 0.61034516803866 15.999 > 25 28 O 0.61299235549351 0.63065392922516 0.61034516803866 15.999 > 25 29 O 0.61299235549351 0.13065392922516 0.94367850137199 15.999 > 25 30 O 0.61299235549351 0.63065392922516 0.94367850137199 15.999 > 25 31 O 0.88700764450649 0.36934607077484 0.11034516803866 15.999 > 31 32 O 0.88700764450649 0.86934607077484 0.11034516803866 15.999 > 31 33 O 0.88700764450649 0.36934607077484 0.44367850137199 15.999 > 31 34 O 0.88700764450649 0.86934607077484 0.44367850137199 15.999 > 31 35 O 0.88700764450649 0.36934607077484 0.77701183470533 15.999 > 31 36 O 0.88700764450649 0.86934607077484 0.77701183470533 15.999 > 31 37 O 0.38700764450649 0.13065392922516 0.27701183470533 15.999 > 37 38 O 0.38700764450649 0.63065392922516 0.27701183470533 15.999 > 37 39 O 0.38700764450649 0.13065392922516 0.61034516803866 15.999 > 37 40 O 0.38700764450649 0.63065392922516 0.61034516803866 15.999 > 37 41 O 0.38700764450649 0.13065392922516 0.94367850137199 15.999 > 37 42 O 0.38700764450649 0.63065392922516 0.94367850137199 15.999 > 37 43 O 0.11299235549351 0.36934607077484 0.11034516803866 15.999 > 43 44 O 0.11299235549351 0.86934607077484 0.11034516803866 15.999 > 43 45 O 0.11299235549351 0.36934607077484 0.44367850137199 15.999 > 43 46 O 0.11299235549351 0.86934607077484 0.44367850137199 15.999 > 43 47 O 0.11299235549351 0.36934607077484 0.77701183470533 15.999 > 43 48 O 0.11299235549351 0.86934607077484 0.77701183470533 15.999 > 43 49 O 0.11299235549351 0.13065392922516 0.22298816529467 15.999 > 49 50 O 0.11299235549351 0.63065392922516 0.22298816529467 15.999 > 49 51 O 0.11299235549351 0.13065392922516 0.55632149862801 15.999 > 49 52 O 0.11299235549351 0.63065392922516 0.55632149862801 15.999 > 49 53 O 0.11299235549351 0.13065392922516 0.88965483196134 15.999 > 49 54 O 0.11299235549351 0.63065392922516 0.88965483196134 15.999 > 49 55 O 0.38700764450649 0.36934607077484 0.05632149862801 15.999 > 55 56 O 0.38700764450649 0.86934607077484 0.05632149862801 15.999 > 55 57 O 0.38700764450649 0.36934607077484 0.38965483196134 15.999 > 55 58 O 0.38700764450649 0.86934607077484 0.38965483196134 15.999 > 55 59 O 0.38700764450649 0.36934607077484 0.72298816529467 15.999 > 55 60 O 0.38700764450649 0.86934607077484 0.72298816529467 15.999 > 55 61 O 0.61299235549351 0.36934607077484 0.05632149862801 15.999 > 61 62 O 0.61299235549351 0.86934607077484 0.05632149862801 15.999 > 61 63 O 0.61299235549351 0.36934607077484 0.38965483196134 15.999 > 61 64 O 0.61299235549351 0.86934607077484 0.38965483196134 15.999 > 61 65 O 0.61299235549351 0.36934607077484 0.72298816529467 15.999 > 61 66 O 0.61299235549351 0.86934607077484 0.72298816529467 15.999 > 61 67 O 0.88700764450649 0.13065392922516 0.22298816529467 15.999 > 67 68 O 0.88700764450649 0.63065392922516 0.22298816529467 15.999 > 67 69 O 0.88700764450649 0.13065392922516 0.55632149862801 15.999 > 67 70 O 0.88700764450649 0.63065392922516 0.55632149862801 15.999 > 67 71 O 0.88700764450649 0.13065392922516 0.88965483196134 15.999 > 67 72 O 0.88700764450649 0.63065392922516 0.88965483196134 15.999 > 67 73 P 0.82832456547409 0.25000000000000 0.16666666666667 30.974 > 73 74 P 0.82832456547409 0.75000000000000 0.16666666666667 30.974 > 73 75 P 0.82832456547409 0.25000000000000 0.50000000000000 30.974 > 73 76 P 0.82832456547409 0.75000000000000 0.50000000000000 30.974 > 73 77 P 0.82832456547409 0.25000000000000 0.83333333333333 30.974 > 73 78 P 0.82832456547409 0.75000000000000 0.83333333333333 30.974 > 73 79 P 0.67167543452591 0.25000000000000 0.00000000000000 30.974 > 79 80 P 0.67167543452591 0.75000000000000 0.00000000000000 30.974 > 79 81 P 0.67167543452591 0.25000000000000 0.33333333333333 30.974 > 79 82 P 0.67167543452591 0.75000000000000 0.33333333333333 30.974 > 79 83 P 0.67167543452591 0.25000000000000 0.66666666666667 30.974 > 79 84 P 0.67167543452591 0.75000000000000 0.66666666666667 30.974 > 79 85 P 0.17167543452591 0.25000000000000 0.16666666666667 30.974 > 85 86 P 0.17167543452591 0.75000000000000 0.16666666666667 30.974 > 85 87 P 0.17167543452591 0.25000000000000 0.50000000000000 30.974 > 85 88 P 0.17167543452591 0.75000000000000 0.50000000000000 30.974 > 85 89 P 0.17167543452591 0.25000000000000 0.83333333333333 30.974 > 85 90 P 0.17167543452591 0.75000000000000 0.83333333333333 30.974 > 85 91 P 0.32832456547409 0.25000000000000 0.00000000000000 30.974 > 91 92 P 0.32832456547409 0.75000000000000 0.00000000000000 30.974 > 91 93 P 0.32832456547409 0.25000000000000 0.33333333333333 30.974 > 91 94 P 0.32832456547409 0.75000000000000 0.33333333333333 30.974 > 91 95 P 0.32832456547409 0.25000000000000 0.66666666666667 30.974 > 91 96 P 0.32832456547409 0.75000000000000 0.66666666666667 30.974 > 91 97 Pd 0.00000000000000 0.00000000000000 0.16666666666667 106.420 > 97 98 Pd 0.00000000000000 0.50000000000000 0.16666666666667 106.420 > 97 99 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 97 100 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 97 101 Pd 0.00000000000000 0.00000000000000 0.83333333333333 106.420 > 97 102 Pd 0.00000000000000 0.50000000000000 0.83333333333333 106.420 > 97 103 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 103 104 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 103 105 Pd 0.50000000000000 0.00000000000000 0.33333333333333 106.420 > 103 106 Pd 0.50000000000000 0.50000000000000 0.33333333333333 106.420 > 103 107 Pd 0.50000000000000 0.00000000000000 0.66666666666667 106.420 > 103 108 Pd 0.50000000000000 0.50000000000000 0.66666666666667 106.420 > 103----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.5990921 0.0000000 0.0000000 0.0000000 3.3895834 0.0000000 0.0000000 0.0000000 2.6522324-------------------------- Born effective charges -------------------------- 1 O -2.3867270 0.0000000 1.2057780 0.0000000 -1.1615324 0.0000000 1.2356037 0.0000000 -2.1867189 2 O -2.3867270 0.0000000 -1.2057780 0.0000000 -1.1615324 0.0000000 -1.2356037 0.0000000 -2.1867189 3 O -2.3867270 0.0000000 1.2057780 0.0000000 -1.1615324 0.0000000 1.2356037 0.0000000 -2.1867189 4 O -2.3867270 0.0000000 -1.2057780 0.0000000 -1.1615324 0.0000000 -1.2356037 0.0000000 -2.1867189 5 O -1.6591026 -1.0188163 -0.2046372 -0.8393237 -1.8137899 -0.4452076 0.1554279 0.1133254 -0.7937555 6 O -1.6591026 -1.0188163 0.2046372 -0.8393237 -1.8137899 0.4452076 -0.1554279 -0.1133254 -0.7937555 7 O -1.6591026 1.0188163 0.2046372 0.8393237 -1.8137899 -0.4452076 -0.1554279 0.1133254 -0.7937555 8 O -1.6591026 1.0188163 -0.2046372 0.8393237 -1.8137899 0.4452076 0.1554279 -0.1133254 -0.7937555 9 O -1.6591026 -1.0188163 0.2046372 -0.8393237 -1.8137899 0.4452076 -0.1554279 -0.1133254 -0.7937555 10 O -1.6591026 -1.0188163 -0.2046372 -0.8393237 -1.8137899 -0.4452076 0.1554279 0.1133254 -0.7937555 11 O -1.6591026 1.0188163 0.2046372 0.8393237 -1.8137899 -0.4452076 -0.1554279 0.1133254 -0.7937555 12 O -1.6591026 1.0188163 -0.2046372 0.8393237 -1.8137899 0.4452076 0.1554279 -0.1133254 -0.7937555 13 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 -1.4893237 0.0000000 0.7929099 3.4927106 14 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 1.4893237 0.0000000 -0.7929099 3.4927106 15 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 -1.4893237 0.0000000 0.7929099 3.4927106 16 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 1.4893237 0.0000000 -0.7929099 3.4927106 17 Pd 2.3229116 0.0000000 0.0000000 0.0000000 2.0969757 0.7381917 0.0000000 0.5326526 0.5630387 18 Pd 2.3229116 0.0000000 0.0000000 0.0000000 2.0969757 -0.7381917 0.0000000 -0.5326526 0.5630387----------------------------------------------------------------------------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[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:58:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:58:58]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pmna (53)------------------------------ primitive cell ------------------------------Lattice vectors: a 12.421540269999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.594143589999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.329597600000000Atomic positions (fractional): 1 O 0.75000000000000 0.64569374517712 0.75000000000000 15.999 2 O 0.75000000000000 0.35430625482288 0.25000000000000 15.999 3 O 0.25000000000000 0.35430625482288 0.25000000000000 15.999 4 O 0.25000000000000 0.64569374517712 0.75000000000000 15.999 5 O 0.61299235549351 0.26130785845032 0.83103550411598 15.999 6 O 0.88700764450649 0.73869214154968 0.33103550411598 15.999 7 O 0.38700764450649 0.26130785845032 0.83103550411598 15.999 8 O 0.11299235549351 0.73869214154968 0.33103550411598 15.999 9 O 0.11299235549351 0.26130785845032 0.66896449588402 15.999 10 O 0.38700764450649 0.73869214154968 0.16896449588402 15.999 11 O 0.61299235549351 0.73869214154968 0.16896449588402 15.999 12 O 0.88700764450649 0.26130785845032 0.66896449588402 15.999 13 P 0.82832456547409 0.50000000000000 0.50000000000000 30.974 14 P 0.67167543452591 0.50000000000000 0.00000000000000 30.974 15 P 0.17167543452591 0.50000000000000 0.50000000000000 30.974 16 P 0.32832456547409 0.50000000000000 0.00000000000000 30.974 17 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 18 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420-------------------------------- supercell ---------------------------------Lattice vectors: a 12.421540269999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.188287179999998 0.000000000000000 c 0.000000000000000 0.000000000000000 12.988792799999999Atomic positions (fractional): 1 O 0.75000000000000 0.32284687258856 0.25000000000000 15.999 > 1 2 O 0.75000000000000 0.82284687258856 0.25000000000000 15.999 > 1 3 O 0.75000000000000 0.32284687258856 0.58333333333333 15.999 > 1 4 O 0.75000000000000 0.82284687258856 0.58333333333333 15.999 > 1 5 O 0.75000000000000 0.32284687258856 0.91666666666667 15.999 > 1 6 O 0.75000000000000 0.82284687258856 0.91666666666667 15.999 > 1 7 O 0.75000000000000 0.17715312741144 0.08333333333333 15.999 > 7 8 O 0.75000000000000 0.67715312741144 0.08333333333333 15.999 > 7 9 O 0.75000000000000 0.17715312741144 0.41666666666667 15.999 > 7 10 O 0.75000000000000 0.67715312741144 0.41666666666667 15.999 > 7 11 O 0.75000000000000 0.17715312741144 0.75000000000000 15.999 > 7 12 O 0.75000000000000 0.67715312741144 0.75000000000000 15.999 > 7 13 O 0.25000000000000 0.17715312741144 0.08333333333333 15.999 > 13 14 O 0.25000000000000 0.67715312741144 0.08333333333333 15.999 > 13 15 O 0.25000000000000 0.17715312741144 0.41666666666667 15.999 > 13 16 O 0.25000000000000 0.67715312741144 0.41666666666667 15.999 > 13 17 O 0.25000000000000 0.17715312741144 0.75000000000000 15.999 > 13 18 O 0.25000000000000 0.67715312741144 0.75000000000000 15.999 > 13 19 O 0.25000000000000 0.32284687258856 0.25000000000000 15.999 > 19 20 O 0.25000000000000 0.82284687258856 0.25000000000000 15.999 > 19 21 O 0.25000000000000 0.32284687258856 0.58333333333333 15.999 > 19 22 O 0.25000000000000 0.82284687258856 0.58333333333333 15.999 > 19 23 O 0.25000000000000 0.32284687258856 0.91666666666667 15.999 > 19 24 O 0.25000000000000 0.82284687258856 0.91666666666667 15.999 > 19 25 O 0.61299235549351 0.13065392922516 0.27701183470533 15.999 > 25 26 O 0.61299235549351 0.63065392922516 0.27701183470533 15.999 > 25 27 O 0.61299235549351 0.13065392922516 0.61034516803866 15.999 > 25 28 O 0.61299235549351 0.63065392922516 0.61034516803866 15.999 > 25 29 O 0.61299235549351 0.13065392922516 0.94367850137199 15.999 > 25 30 O 0.61299235549351 0.63065392922516 0.94367850137199 15.999 > 25 31 O 0.88700764450649 0.36934607077484 0.11034516803866 15.999 > 31 32 O 0.88700764450649 0.86934607077484 0.11034516803866 15.999 > 31 33 O 0.88700764450649 0.36934607077484 0.44367850137199 15.999 > 31 34 O 0.88700764450649 0.86934607077484 0.44367850137199 15.999 > 31 35 O 0.88700764450649 0.36934607077484 0.77701183470533 15.999 > 31 36 O 0.88700764450649 0.86934607077484 0.77701183470533 15.999 > 31 37 O 0.38700764450649 0.13065392922516 0.27701183470533 15.999 > 37 38 O 0.38700764450649 0.63065392922516 0.27701183470533 15.999 > 37 39 O 0.38700764450649 0.13065392922516 0.61034516803866 15.999 > 37 40 O 0.38700764450649 0.63065392922516 0.61034516803866 15.999 > 37 41 O 0.38700764450649 0.13065392922516 0.94367850137199 15.999 > 37 42 O 0.38700764450649 0.63065392922516 0.94367850137199 15.999 > 37 43 O 0.11299235549351 0.36934607077484 0.11034516803866 15.999 > 43 44 O 0.11299235549351 0.86934607077484 0.11034516803866 15.999 > 43 45 O 0.11299235549351 0.36934607077484 0.44367850137199 15.999 > 43 46 O 0.11299235549351 0.86934607077484 0.44367850137199 15.999 > 43 47 O 0.11299235549351 0.36934607077484 0.77701183470533 15.999 > 43 48 O 0.11299235549351 0.86934607077484 0.77701183470533 15.999 > 43 49 O 0.11299235549351 0.13065392922516 0.22298816529467 15.999 > 49 50 O 0.11299235549351 0.63065392922516 0.22298816529467 15.999 > 49 51 O 0.11299235549351 0.13065392922516 0.55632149862801 15.999 > 49 52 O 0.11299235549351 0.63065392922516 0.55632149862801 15.999 > 49 53 O 0.11299235549351 0.13065392922516 0.88965483196134 15.999 > 49 54 O 0.11299235549351 0.63065392922516 0.88965483196134 15.999 > 49 55 O 0.38700764450649 0.36934607077484 0.05632149862801 15.999 > 55 56 O 0.38700764450649 0.86934607077484 0.05632149862801 15.999 > 55 57 O 0.38700764450649 0.36934607077484 0.38965483196134 15.999 > 55 58 O 0.38700764450649 0.86934607077484 0.38965483196134 15.999 > 55 59 O 0.38700764450649 0.36934607077484 0.72298816529467 15.999 > 55 60 O 0.38700764450649 0.86934607077484 0.72298816529467 15.999 > 55 61 O 0.61299235549351 0.36934607077484 0.05632149862801 15.999 > 61 62 O 0.61299235549351 0.86934607077484 0.05632149862801 15.999 > 61 63 O 0.61299235549351 0.36934607077484 0.38965483196134 15.999 > 61 64 O 0.61299235549351 0.86934607077484 0.38965483196134 15.999 > 61 65 O 0.61299235549351 0.36934607077484 0.72298816529467 15.999 > 61 66 O 0.61299235549351 0.86934607077484 0.72298816529467 15.999 > 61 67 O 0.88700764450649 0.13065392922516 0.22298816529467 15.999 > 67 68 O 0.88700764450649 0.63065392922516 0.22298816529467 15.999 > 67 69 O 0.88700764450649 0.13065392922516 0.55632149862801 15.999 > 67 70 O 0.88700764450649 0.63065392922516 0.55632149862801 15.999 > 67 71 O 0.88700764450649 0.13065392922516 0.88965483196134 15.999 > 67 72 O 0.88700764450649 0.63065392922516 0.88965483196134 15.999 > 67 73 P 0.82832456547409 0.25000000000000 0.16666666666667 30.974 > 73 74 P 0.82832456547409 0.75000000000000 0.16666666666667 30.974 > 73 75 P 0.82832456547409 0.25000000000000 0.50000000000000 30.974 > 73 76 P 0.82832456547409 0.75000000000000 0.50000000000000 30.974 > 73 77 P 0.82832456547409 0.25000000000000 0.83333333333333 30.974 > 73 78 P 0.82832456547409 0.75000000000000 0.83333333333333 30.974 > 73 79 P 0.67167543452591 0.25000000000000 0.00000000000000 30.974 > 79 80 P 0.67167543452591 0.75000000000000 0.00000000000000 30.974 > 79 81 P 0.67167543452591 0.25000000000000 0.33333333333333 30.974 > 79 82 P 0.67167543452591 0.75000000000000 0.33333333333333 30.974 > 79 83 P 0.67167543452591 0.25000000000000 0.66666666666667 30.974 > 79 84 P 0.67167543452591 0.75000000000000 0.66666666666667 30.974 > 79 85 P 0.17167543452591 0.25000000000000 0.16666666666667 30.974 > 85 86 P 0.17167543452591 0.75000000000000 0.16666666666667 30.974 > 85 87 P 0.17167543452591 0.25000000000000 0.50000000000000 30.974 > 85 88 P 0.17167543452591 0.75000000000000 0.50000000000000 30.974 > 85 89 P 0.17167543452591 0.25000000000000 0.83333333333333 30.974 > 85 90 P 0.17167543452591 0.75000000000000 0.83333333333333 30.974 > 85 91 P 0.32832456547409 0.25000000000000 0.00000000000000 30.974 > 91 92 P 0.32832456547409 0.75000000000000 0.00000000000000 30.974 > 91 93 P 0.32832456547409 0.25000000000000 0.33333333333333 30.974 > 91 94 P 0.32832456547409 0.75000000000000 0.33333333333333 30.974 > 91 95 P 0.32832456547409 0.25000000000000 0.66666666666667 30.974 > 91 96 P 0.32832456547409 0.75000000000000 0.66666666666667 30.974 > 91 97 Pd 0.00000000000000 0.00000000000000 0.16666666666667 106.420 > 97 98 Pd 0.00000000000000 0.50000000000000 0.16666666666667 106.420 > 97 99 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 97 100 Pd 0.00000000000000 0.50000000000000 0.50000000000000 106.420 > 97 101 Pd 0.00000000000000 0.00000000000000 0.83333333333333 106.420 > 97 102 Pd 0.00000000000000 0.50000000000000 0.83333333333333 106.420 > 97 103 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 103 104 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 103 105 Pd 0.50000000000000 0.00000000000000 0.33333333333333 106.420 > 103 106 Pd 0.50000000000000 0.50000000000000 0.33333333333333 106.420 > 103 107 Pd 0.50000000000000 0.00000000000000 0.66666666666667 106.420 > 103 108 Pd 0.50000000000000 0.50000000000000 0.66666666666667 106.420 > 103----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.5990921 0.0000000 0.0000000 0.0000000 3.3895834 0.0000000 0.0000000 0.0000000 2.6522324-------------------------- Born effective charges -------------------------- 1 O -2.3867270 0.0000000 1.2057780 0.0000000 -1.1615324 0.0000000 1.2356037 0.0000000 -2.1867189 2 O -2.3867270 0.0000000 -1.2057780 0.0000000 -1.1615324 0.0000000 -1.2356037 0.0000000 -2.1867189 3 O -2.3867270 0.0000000 1.2057780 0.0000000 -1.1615324 0.0000000 1.2356037 0.0000000 -2.1867189 4 O -2.3867270 0.0000000 -1.2057780 0.0000000 -1.1615324 0.0000000 -1.2356037 0.0000000 -2.1867189 5 O -1.6591026 -1.0188163 -0.2046372 -0.8393237 -1.8137899 -0.4452076 0.1554279 0.1133254 -0.7937555 6 O -1.6591026 -1.0188163 0.2046372 -0.8393237 -1.8137899 0.4452076 -0.1554279 -0.1133254 -0.7937555 7 O -1.6591026 1.0188163 0.2046372 0.8393237 -1.8137899 -0.4452076 -0.1554279 0.1133254 -0.7937555 8 O -1.6591026 1.0188163 -0.2046372 0.8393237 -1.8137899 0.4452076 0.1554279 -0.1133254 -0.7937555 9 O -1.6591026 -1.0188163 0.2046372 -0.8393237 -1.8137899 0.4452076 -0.1554279 -0.1133254 -0.7937555 10 O -1.6591026 -1.0188163 -0.2046372 -0.8393237 -1.8137899 -0.4452076 0.1554279 0.1133254 -0.7937555 11 O -1.6591026 1.0188163 0.2046372 0.8393237 -1.8137899 -0.4452076 -0.1554279 0.1133254 -0.7937555 12 O -1.6591026 1.0188163 -0.2046372 0.8393237 -1.8137899 0.4452076 0.1554279 -0.1133254 -0.7937555 13 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 -1.4893237 0.0000000 0.7929099 3.4927106 14 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 1.4893237 0.0000000 -0.7929099 3.4927106 15 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 -1.4893237 0.0000000 0.7929099 3.4927106 16 P 4.5434763 0.0000000 0.0000000 0.0000000 3.7406244 1.4893237 0.0000000 -0.7929099 3.4927106 17 Pd 2.3229116 0.0000000 0.0000000 0.0000000 2.0969757 0.7381917 0.0000000 0.5326526 0.5630387 18 Pd 2.3229116 0.0000000 0.0000000 0.0000000 2.0969757 -0.7381917 0.0000000 -0.5326526 0.5630387----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000003 (yyy) -0.00000003 (yyy) -0.00000003 (yyy)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 4 11 12 ]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: 0.66, Number of G-points: 299, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/126) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 1.216 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.216 ( 0.000 0.000 0.000) 0.000 8.070 ( 0.000 0.000 0.000) 0.000 8.147 ( 0.000 0.000 0.000) 0.000 8.883 ( 0.000 0.000 0.000) 0.000 9.796 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 9.852 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.620 ( 0.000 0.000 0.000) 0.000 11.422 ( 0.000 0.000 0.000) 0.000 11.823 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.847 ( 0.000 0.000 0.000) 0.000 14.097 ( 0.000 0.000 0.000) 0.000 15.177 ( 0.000 0.000 0.000) 0.000 15.897 ( 0.000 0.000 0.000) 0.000 15.933 ( 0.000 0.000 0.000) 0.000 16.230 ( 0.000 0.000 0.000) 0.000 16.295 ( 0.000 0.000 0.000) 0.000 17.492 ( 0.000 0.000 0.000) 0.000 18.402 ( 0.000 0.000 0.000) 0.000 19.360 ( 0.000 0.000 0.000) 0.000 19.361 ( 0.000 0.000 0.000) 0.000 19.365 ( 0.000 0.000 0.000) 0.000 23.414 ( 0.000 0.000 0.000) 0.000 23.434 ( 0.000 0.000 0.000) 0.000 26.858 ( 0.000 0.000 0.000) 0.000 26.865 ( 0.000 0.000 0.000) 0.000 29.666 ( 0.000 0.000 0.000) 0.000 29.954 ( 0.000 0.000 0.000) 0.000 30.050 ( 0.000 0.000 0.000) 0.000 32.875 ( 0.000 0.000 0.000) 0.000 33.026 ( 0.000 0.000 0.000) 0.000 33.924 ( 0.000 0.000 0.000) 0.000 34.163 ( 0.000 0.000 0.000) 0.000 34.186 ( 0.000 0.000 0.000) 0.000 34.544 ( 0.000 0.000 0.000) 0.000 34.813 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/126) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.257 ( 12.465 0.000 0.000) 12.465 0.431 ( 15.268 0.000 0.000) 15.268 1.201 ( 2.791 0.000 0.000) 2.791 1.269 ( 62.693 0.000 0.000) 62.693 1.943 ( 6.028 0.000 0.000) 6.028 1.949 ( -18.709 0.000 0.000) 18.709 2.266 ( -5.519 0.000 0.000) 5.519 3.383 ( 15.441 0.000 0.000) 15.441 3.682 ( -53.583 0.000 0.000) 53.583 3.970 ( -9.523 0.000 0.000) 9.523 6.331 ( 44.446 0.000 0.000) 44.446 6.972 ( 1.396 0.000 0.000) 1.396 7.090 ( -3.759 0.000 0.000) 3.759 7.208 ( 15.060 0.000 0.000) 15.060 7.391 ( 12.608 0.000 0.000) 12.608 7.878 ( -24.927 0.000 0.000) 24.927 8.033 ( -9.872 0.000 0.000) 9.872 8.496 ( -28.264 0.000 0.000) 28.264 9.802 ( 0.537 0.000 0.000) 0.537 9.824 ( -0.217 0.000 0.000) 0.217 10.238 ( 28.463 0.000 0.000) 28.463 10.572 ( 0.581 0.000 0.000) 0.581 10.611 ( -0.829 0.000 0.000) 0.829 11.242 ( -16.505 0.000 0.000) 16.505 11.988 ( 15.191 0.000 0.000) 15.191 12.079 ( 6.573 0.000 0.000) 6.573 12.338 ( -4.205 0.000 0.000) 4.205 12.781 ( -17.883 0.000 0.000) 17.883 14.268 ( 14.297 0.000 0.000) 14.297 14.891 ( -14.026 0.000 0.000) 14.026 15.370 ( 9.979 0.000 0.000) 9.979 15.743 ( -8.743 0.000 0.000) 8.743 16.070 ( 6.946 0.000 0.000) 6.946 16.272 ( -2.682 0.000 0.000) 2.682 16.371 ( 13.553 0.000 0.000) 13.553 17.209 ( -22.361 0.000 0.000) 22.361 18.646 ( 18.564 0.000 0.000) 18.564 19.269 ( -8.937 0.000 0.000) 8.937 19.361 ( 0.052 0.000 0.000) 0.052 19.365 ( -0.070 0.000 0.000) 0.070 23.417 ( 0.276 0.000 0.000) 0.276 23.431 ( -0.276 0.000 0.000) 0.276 26.859 ( 0.095 0.000 0.000) 0.095 26.864 ( -0.088 0.000 0.000) 0.088 29.953 ( 1.529 0.000 0.000) 1.529 30.033 ( -1.592 0.000 0.000) 1.592 32.897 ( 2.071 0.000 0.000) 2.071 33.004 ( -2.085 0.000 0.000) 2.085 33.951 ( 2.695 0.000 0.000) 2.695 34.128 ( -4.769 0.000 0.000) 4.769 34.129 ( 0.594 0.000 0.000) 0.594 34.157 ( -0.507 0.000 0.000) 0.507 34.603 ( 4.857 0.000 0.000) 4.857 34.784 ( -2.789 0.000 0.000) 2.789======================= Grid point 2 (3/126) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.478 ( -7.914 0.000 0.000) 7.914 0.478 ( 7.914 0.000 0.000) 7.914 1.493 ( -23.365 0.000 0.000) 23.365 1.493 ( 23.365 0.000 0.000) 23.365 2.108 ( -9.178 0.000 0.000) 9.178 2.108 ( 9.178 0.000 0.000) 9.178 2.514 ( -60.708 0.000 0.000) 60.708 2.514 ( 60.708 0.000 0.000) 60.708 3.712 ( -15.546 0.000 0.000) 15.546 3.712 ( 15.546 0.000 0.000) 15.546 7.021 ( -3.108 0.000 0.000) 3.108 7.021 ( 3.108 0.000 0.000) 3.108 7.206 ( -40.156 0.000 0.000) 40.156 7.206 ( 40.156 0.000 0.000) 40.156 7.512 ( -9.426 0.000 0.000) 9.426 7.512 ( 9.426 0.000 0.000) 9.426 7.993 ( -15.781 0.000 0.000) 15.781 7.993 ( 15.781 0.000 0.000) 15.781 9.815 ( -0.657 0.000 0.000) 0.657 9.815 ( 0.657 0.000 0.000) 0.657 10.590 ( -1.097 0.000 0.000) 1.097 10.590 ( 1.097 0.000 0.000) 1.097 10.804 ( -26.080 0.000 0.000) 26.080 10.804 ( 26.080 0.000 0.000) 26.080 12.222 ( -6.961 0.000 0.000) 6.961 12.222 ( 6.961 0.000 0.000) 6.961 12.370 ( -21.238 0.000 0.000) 21.238 12.370 ( 21.238 0.000 0.000) 21.238 14.585 ( -16.053 0.000 0.000) 16.053 14.585 ( 16.053 0.000 0.000) 16.053 15.562 ( -9.208 0.000 0.000) 9.208 15.562 ( 9.208 0.000 0.000) 9.208 16.193 ( -5.102 0.000 0.000) 5.102 16.193 ( 5.102 0.000 0.000) 5.102 16.742 ( -22.147 0.000 0.000) 22.147 16.742 ( 22.147 0.000 0.000) 22.147 19.011 ( -16.268 0.000 0.000) 16.268 19.011 ( 16.268 0.000 0.000) 16.268 19.363 ( -0.087 0.000 0.000) 0.087 19.363 ( 0.087 0.000 0.000) 0.087 23.424 ( -0.390 0.000 0.000) 0.390 23.424 ( 0.390 0.000 0.000) 0.390 26.862 ( -0.129 0.000 0.000) 0.129 26.862 ( 0.129 0.000 0.000) 0.129 29.992 ( -2.205 0.000 0.000) 2.205 29.992 ( 2.205 0.000 0.000) 2.205 32.950 ( -2.932 0.000 0.000) 2.932 32.950 ( 2.932 0.000 0.000) 2.932 34.028 ( -4.701 0.000 0.000) 4.701 34.028 ( 4.701 0.000 0.000) 4.701 34.144 ( -0.773 0.000 0.000) 0.773 34.144 ( 0.773 0.000 0.000) 0.773 34.705 ( -4.830 0.000 0.000) 4.830 34.705 ( 4.830 0.000 0.000) 4.830======================= Grid point 5 (4/126) =======================q-point: ( 0.00 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.403 ( 0.000 29.953 0.000) 29.953 0.412 ( 0.000 19.937 0.000) 19.937 0.812 ( 0.000 40.992 0.000) 40.992 1.477 ( 0.000 21.123 0.000) 21.123 2.176 ( 0.000 2.555 0.000) 2.555 2.196 ( 0.000 28.595 0.000) 28.595 2.591 ( 0.000 25.953 0.000) 25.953 3.229 ( 0.000 0.658 0.000) 0.658 4.046 ( 0.000 -2.585 0.000) 2.585 4.189 ( 0.000 -19.352 0.000) 19.352 5.700 ( 0.000 -0.601 0.000) 0.601 6.915 ( 0.000 -6.121 0.000) 6.121 7.157 ( 0.000 -9.235 0.000) 9.235 7.190 ( 0.000 15.577 0.000) 15.577 7.250 ( 0.000 2.900 0.000) 2.900 7.961 ( 0.000 -10.269 0.000) 10.269 8.173 ( 0.000 -4.928 0.000) 4.928 8.776 ( 0.000 -10.248 0.000) 10.248 9.504 ( 0.000 -15.421 0.000) 15.421 9.866 ( 0.000 3.832 0.000) 3.832 10.142 ( 0.000 15.298 0.000) 15.298 10.484 ( 0.000 -6.924 0.000) 6.924 10.703 ( 0.000 7.869 0.000) 7.869 11.568 ( 0.000 -14.097 0.000) 14.097 12.075 ( 0.000 7.038 0.000) 7.038 12.095 ( 0.000 11.625 0.000) 11.625 12.381 ( 0.000 0.090 0.000) 0.090 12.914 ( 0.000 -7.635 0.000) 7.635 13.796 ( 0.000 -5.072 0.000) 5.072 14.151 ( 0.000 4.921 0.000) 4.921 15.229 ( 0.000 5.103 0.000) 5.103 15.803 ( 0.000 -11.838 0.000) 11.838 15.815 ( 0.000 -7.512 0.000) 7.512 15.949 ( 0.000 -14.471 0.000) 14.471 16.601 ( 0.000 16.963 0.000) 16.963 17.504 ( 0.000 0.614 0.000) 0.614 18.490 ( 0.000 7.670 0.000) 7.670 19.206 ( 0.000 -8.710 0.000) 8.710 19.373 ( 0.000 0.962 0.000) 0.962 19.484 ( 0.000 4.534 0.000) 4.534 23.461 ( 0.000 4.388 0.000) 4.388 23.747 ( 0.000 1.274 0.000) 1.274 26.860 ( 0.000 0.140 0.000) 0.140 26.865 ( 0.000 0.054 0.000) 0.054 29.698 ( 0.000 3.117 0.000) 3.117 29.941 ( 0.000 -1.146 0.000) 1.146 30.037 ( 0.000 -1.205 0.000) 1.205 32.760 ( 0.000 -9.810 0.000) 9.810 32.988 ( 0.000 -3.714 0.000) 3.714 33.001 ( 0.000 -54.945 0.000) 54.945 34.509 ( 0.000 -3.433 0.000) 3.433 34.892 ( 0.000 6.201 0.000) 6.201 34.917 ( 0.000 39.011 0.000) 39.011 37.243 ( 0.000 2.498 0.000) 2.498======================= Grid point 6 (5/126) =======================q-point: ( 0.25 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.556 ( 12.292 20.882 0.000) 24.231 0.650 ( 23.372 10.613 0.000) 25.668 1.172 ( 3.492 17.377 0.000) 17.725 1.698 ( 37.854 25.972 0.000) 45.908 1.934 ( -22.216 -0.846 0.000) 22.232 2.252 ( 5.646 28.309 0.000) 28.866 2.542 ( -5.033 26.025 0.000) 26.507 3.392 ( 14.253 0.521 0.000) 14.263 3.622 ( -40.095 -5.650 0.000) 40.491 3.993 ( -12.085 1.867 0.000) 12.228 6.131 ( 33.998 -16.091 0.000) 37.614 6.942 ( 2.998 -4.983 0.000) 5.816 7.051 ( -7.028 -6.856 0.000) 9.818 7.371 ( 4.945 -3.737 0.000) 6.198 7.392 ( 17.527 16.455 0.000) 24.041 7.713 ( -17.102 -10.830 0.000) 20.243 8.093 ( -7.495 3.742 0.000) 8.378 8.418 ( -26.175 -7.113 0.000) 27.124 9.692 ( 9.675 -10.480 0.000) 14.263 9.850 ( -1.329 2.338 0.000) 2.689 10.282 ( 12.634 5.237 0.000) 13.676 10.496 ( 0.426 -6.999 0.000) 7.012 10.731 ( 3.991 10.214 0.000) 10.966 11.313 ( -17.322 1.667 0.000) 17.402 12.059 ( 7.344 6.663 0.000) 9.916 12.137 ( 5.713 5.810 0.000) 8.148 12.343 ( -3.728 0.518 0.000) 3.763 12.727 ( -16.249 -5.582 0.000) 17.181 14.286 ( 11.068 1.320 0.000) 11.146 14.432 ( 19.722 -33.413 0.000) 38.799 15.239 ( 3.197 1.111 0.000) 3.384 15.601 ( -10.746 -11.841 0.000) 15.990 15.987 ( 7.748 -7.475 0.000) 10.766 16.078 ( 6.421 -11.946 0.000) 13.562 16.671 ( 7.429 15.698 0.000) 17.367 17.280 ( -17.924 5.056 0.000) 18.624 18.698 ( 16.389 4.720 0.000) 17.055 19.176 ( -3.172 -6.024 0.000) 6.808 19.363 ( -0.788 0.169 0.000) 0.806 19.423 ( -5.021 3.244 0.000) 5.977 23.469 ( 0.807 4.787 0.000) 4.855 23.579 ( -7.123 9.147 0.000) 11.594 26.862 ( 0.140 0.262 0.000) 0.297 26.865 ( -0.010 0.139 0.000) 0.139 29.944 ( 1.574 -0.687 0.000) 1.718 30.021 ( -1.499 -1.093 0.000) 1.855 31.274 ( 84.488 -85.882 0.000) 120.474 32.754 ( -3.045 -21.636 0.000) 21.849 32.920 ( -6.466 -48.238 0.000) 48.669 32.959 ( -2.648 -5.212 0.000) 5.846 34.524 ( 1.579 -1.119 0.000) 1.935 34.709 ( -8.016 11.629 0.000) 14.124 35.181 ( 16.541 37.009 0.000) 40.537 36.401 ( -51.652 52.909 0.000) 73.941======================= Grid point 7 (6/126) =======================q-point: (-0.50 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 119Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( -7.350 25.733 0.000) 26.762 0.823 ( 7.350 25.733 0.000) 26.762 1.390 ( -21.523 -7.251 0.000) 22.712 1.390 ( 21.523 -7.251 0.000) 22.712 2.401 ( -8.134 27.142 0.000) 28.334 2.401 ( 8.134 27.142 0.000) 28.334 2.676 ( -50.716 14.258 0.000) 52.682 2.676 ( 50.716 14.258 0.000) 52.682 3.709 ( -14.079 -0.071 0.000) 14.079 3.709 ( 14.079 -0.071 0.000) 14.079 6.804 ( -25.485 -20.758 0.000) 32.869 6.804 ( 25.485 -20.758 0.000) 32.869 7.075 ( -13.767 -7.342 0.000) 15.603 7.075 ( 13.767 -7.342 0.000) 15.603 7.743 ( -2.767 16.191 0.000) 16.426 7.743 ( 2.767 16.191 0.000) 16.426 7.947 ( -11.475 -4.203 0.000) 12.221 7.947 ( 11.475 -4.203 0.000) 12.221 9.808 ( -0.965 -1.661 0.000) 1.921 9.808 ( 0.965 -1.661 0.000) 1.921 10.475 ( -1.819 -6.782 0.000) 7.022 10.475 ( 1.819 -6.782 0.000) 7.022 10.948 ( -16.611 9.760 0.000) 19.266 10.948 ( 16.611 9.760 0.000) 19.266 12.238 ( -1.425 1.157 0.000) 1.836 12.238 ( 1.425 1.157 0.000) 1.836 12.363 ( -11.579 -0.373 0.000) 11.585 12.363 ( 11.579 -0.373 0.000) 11.585 14.495 ( -4.003 -9.885 0.000) 10.665 14.495 ( 4.003 -9.885 0.000) 10.665 15.386 ( -2.995 -10.441 0.000) 10.862 15.386 ( 2.995 -10.441 0.000) 10.862 16.104 ( -0.650 -7.203 0.000) 7.233 16.104 ( 0.650 -7.203 0.000) 7.233 16.916 ( -4.941 11.410 0.000) 12.434 16.916 ( 4.941 11.410 0.000) 12.434 19.017 ( -13.153 0.626 0.000) 13.168 19.017 ( 13.153 0.626 0.000) 13.168 19.356 ( -0.526 -0.404 0.000) 0.664 19.356 ( 0.526 -0.404 0.000) 0.664 23.497 ( -0.578 6.298 0.000) 6.324 23.497 ( 0.578 6.298 0.000) 6.324 26.864 ( -0.002 0.275 0.000) 0.275 26.864 ( 0.002 0.275 0.000) 0.275 29.983 ( -2.077 -0.857 0.000) 2.247 29.983 ( 2.077 -0.857 0.000) 2.247 32.405 ( -23.179 -73.899 0.000) 77.449 32.405 ( 23.179 -73.899 0.000) 77.449 32.898 ( -2.578 -10.696 0.000) 11.002 32.898 ( 2.578 -10.696 0.000) 11.002 34.583 ( -3.857 4.478 0.000) 5.910 34.583 ( 3.857 4.478 0.000) 5.910 35.613 ( -17.783 52.088 0.000) 55.040 35.613 ( 17.783 52.088 0.000) 55.040======================= Grid point 10 (7/126) =======================q-point: ( 0.00 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 0.000 16.061 0.000) 16.061 1.104 ( 0.000 39.270 0.000) 39.270 1.621 ( 0.000 40.745 0.000) 40.745 1.906 ( 0.000 20.671 0.000) 20.671 2.297 ( 0.000 10.767 0.000) 10.767 2.885 ( 0.000 37.998 0.000) 37.998 3.239 ( 0.000 36.963 0.000) 36.963 3.246 ( 0.000 1.094 0.000) 1.094 3.708 ( 0.000 -27.370 0.000) 27.370 3.968 ( 0.000 -5.287 0.000) 5.287 5.686 ( 0.000 -0.754 0.000) 0.754 6.742 ( 0.000 -11.123 0.000) 11.123 6.871 ( 0.000 -19.761 0.000) 19.761 7.253 ( 0.000 -6.916 0.000) 6.916 7.556 ( 0.000 19.329 0.000) 19.329 7.754 ( 0.000 -5.833 0.000) 5.833 8.069 ( 0.000 -4.848 0.000) 4.848 8.511 ( 0.000 -15.698 0.000) 15.698 9.231 ( 0.000 -11.368 0.000) 11.368 9.960 ( 0.000 5.204 0.000) 5.204 10.297 ( 0.000 -11.569 0.000) 11.569 10.422 ( 0.000 12.786 0.000) 12.786 10.904 ( 0.000 11.797 0.000) 11.797 11.293 ( 0.000 -13.464 0.000) 13.464 12.251 ( 0.000 10.082 0.000) 10.082 12.303 ( 0.000 9.279 0.000) 9.279 12.393 ( 0.000 1.215 0.000) 1.215 12.687 ( 0.000 -15.307 0.000) 15.307 13.652 ( 0.000 -9.233 0.000) 9.233 14.258 ( 0.000 4.753 0.000) 4.753 15.369 ( 0.000 8.652 0.000) 8.652 15.531 ( 0.000 -14.231 0.000) 14.231 15.655 ( 0.000 -6.917 0.000) 6.917 15.694 ( 0.000 -11.100 0.000) 11.100 16.926 ( 0.000 15.602 0.000) 15.602 17.482 ( 0.000 -3.720 0.000) 3.720 18.651 ( 0.000 7.807 0.000) 7.807 19.031 ( 0.000 -8.761 0.000) 8.761 19.409 ( 0.000 2.553 0.000) 2.553 19.542 ( 0.000 1.265 0.000) 1.265 23.569 ( 0.000 6.064 0.000) 6.064 23.782 ( 0.000 2.219 0.000) 2.219 26.863 ( 0.000 0.215 0.000) 0.215 26.867 ( 0.000 0.135 0.000) 0.135 29.776 ( 0.000 3.891 0.000) 3.891 29.921 ( 0.000 -0.094 0.000) 0.094 30.006 ( 0.000 -1.803 0.000) 1.803 31.906 ( 0.000 -53.913 0.000) 53.913 32.571 ( 0.000 -7.679 0.000) 7.679 32.888 ( 0.000 -5.997 0.000) 5.997 34.412 ( 0.000 -6.243 0.000) 6.243 34.975 ( 0.000 0.690 0.000) 0.690 35.618 ( 0.000 32.030 0.000) 32.030 37.310 ( 0.000 4.086 0.000) 4.086======================= Grid point 11 (8/126) =======================q-point: ( 0.25 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.946 ( 15.415 17.507 0.000) 23.326 1.014 ( 3.851 27.938 0.000) 28.202 1.654 ( -12.155 25.361 0.000) 28.123 1.970 ( -27.975 5.996 0.000) 28.611 2.250 ( 36.813 29.874 0.000) 47.409 2.928 ( 4.566 36.645 0.000) 36.928 3.185 ( -5.152 35.938 0.000) 36.306 3.406 ( 13.804 1.722 0.000) 13.911 3.478 ( -17.202 -8.347 0.000) 19.120 4.028 ( -5.292 1.592 0.000) 5.526 5.805 ( 15.869 -15.481 0.000) 22.170 6.764 ( -11.853 -22.005 0.000) 24.994 6.775 ( 3.318 -11.548 0.000) 12.015 7.148 ( -14.933 -17.387 0.000) 22.919 7.627 ( 1.813 1.235 0.000) 2.194 7.736 ( 14.522 15.249 0.000) 21.057 8.164 ( 2.228 4.117 0.000) 4.682 8.264 ( -18.242 -6.312 0.000) 19.303 9.433 ( 14.298 -14.341 0.000) 20.251 9.870 ( -7.532 -2.318 0.000) 7.881 10.351 ( 4.034 -5.638 0.000) 6.932 10.432 ( 0.485 9.038 0.000) 9.051 10.954 ( 5.299 11.499 0.000) 12.661 11.251 ( -4.348 -6.773 0.000) 8.048 12.195 ( -3.761 6.472 0.000) 7.485 12.302 ( 2.921 9.860 0.000) 10.283 12.356 ( -3.936 0.121 0.000) 3.938 12.565 ( -10.032 -9.996 0.000) 14.162 13.918 ( 18.675 -19.548 0.000) 27.034 14.288 ( 1.098 -2.044 0.000) 2.321 15.342 ( -2.292 7.500 0.000) 7.842 15.388 ( -7.287 -7.764 0.000) 10.647 15.814 ( 9.114 -8.818 0.000) 12.681 15.841 ( 10.135 -11.160 0.000) 15.075 16.940 ( 2.491 11.699 0.000) 11.961 17.332 ( -12.547 -0.760 0.000) 12.570 18.802 ( 12.462 5.173 0.000) 13.493 19.059 ( 2.052 -5.685 0.000) 6.044 19.381 ( -2.405 1.599 0.000) 2.888 19.466 ( -6.694 1.040 0.000) 6.774 23.584 ( 1.455 6.255 0.000) 6.422 23.716 ( -4.922 5.159 0.000) 7.130 26.868 ( 0.295 0.282 0.000) 0.408 26.869 ( 0.152 0.224 0.000) 0.271 29.934 ( 1.190 -0.291 0.000) 1.225 29.994 ( -1.144 -1.509 0.000) 1.893 30.335 ( 45.035 -22.921 0.000) 50.532 31.736 ( -17.151 -52.712 0.000) 55.432 32.611 ( 3.831 -8.255 0.000) 9.101 32.833 ( -5.010 -6.889 0.000) 8.518 34.474 ( 5.845 -4.121 0.000) 7.152 34.838 ( -10.400 2.178 0.000) 10.625 35.858 ( 20.647 29.856 0.000) 36.300 36.981 ( -28.063 16.008 0.000) 32.307======================= Grid point 12 (9/126) =======================q-point: (-0.50 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 119Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.300 ( -5.671 12.931 0.000) 14.120 1.300 ( 5.671 12.931 0.000) 14.120 1.378 ( -14.256 17.179 0.000) 22.324 1.378 ( 14.256 17.179 0.000) 22.324 2.990 ( -29.334 16.143 0.000) 33.483 2.990 ( 29.334 16.143 0.000) 33.483 3.056 ( -6.440 35.004 0.000) 35.591 3.056 ( 6.440 35.004 0.000) 35.591 3.740 ( -16.528 4.910 0.000) 17.242 3.740 ( 16.528 4.910 0.000) 17.242 6.313 ( -29.273 -27.552 0.000) 40.199 6.313 ( 29.273 -27.552 0.000) 40.199 6.883 ( -6.033 -12.687 0.000) 14.048 6.883 ( 6.033 -12.687 0.000) 14.048 7.833 ( -12.657 -5.783 0.000) 13.916 7.833 ( 12.657 -5.783 0.000) 13.916 8.086 ( -3.037 17.153 0.000) 17.420 8.086 ( 3.037 17.153 0.000) 17.420 9.688 ( -4.197 -11.238 0.000) 11.996 9.688 ( 4.197 -11.238 0.000) 11.996 10.418 ( -0.265 1.701 0.000) 1.722 10.418 ( 0.265 1.701 0.000) 1.722 11.110 ( -6.959 5.739 0.000) 9.020 11.110 ( 6.959 5.739 0.000) 9.020 12.231 ( -0.697 -2.320 0.000) 2.422 12.231 ( 0.697 -2.320 0.000) 2.422 12.392 ( -0.732 3.775 0.000) 3.845 12.392 ( 0.732 3.775 0.000) 3.845 14.216 ( -5.640 -16.212 0.000) 17.165 14.216 ( 5.640 -16.212 0.000) 17.165 15.310 ( -0.003 2.023 0.000) 2.023 15.310 ( 0.003 2.023 0.000) 2.023 15.938 ( -0.125 -8.843 0.000) 8.844 15.938 ( 0.125 -8.843 0.000) 8.844 17.075 ( -2.437 4.394 0.000) 5.025 17.075 ( 2.437 4.394 0.000) 5.025 19.033 ( -7.033 0.790 0.000) 7.077 19.033 ( 7.033 0.790 0.000) 7.077 19.354 ( -1.374 0.118 0.000) 1.379 19.354 ( 1.374 0.118 0.000) 1.379 23.630 ( -1.068 6.523 0.000) 6.610 23.630 ( 1.068 6.523 0.000) 6.610 26.871 ( -0.000 0.347 0.000) 0.347 26.871 ( 0.000 0.347 0.000) 0.347 29.964 ( -1.661 -0.865 0.000) 1.872 29.964 ( 1.661 -0.865 0.000) 1.872 31.201 ( -30.740 -46.630 0.000) 55.851 31.201 ( 30.740 -46.630 0.000) 55.851 32.715 ( -5.350 -8.181 0.000) 9.775 32.715 ( 5.350 -8.181 0.000) 9.775 34.632 ( -9.067 -0.048 0.000) 9.067 34.632 ( 9.067 -0.048 0.000) 9.067 36.372 ( -22.909 27.208 0.000) 35.569 36.372 ( 22.909 27.208 0.000) 35.569======================= Grid point 15 (10/126) =======================q-point: ( 0.00 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 0.000 11.181 0.000) 11.181 1.906 ( 0.000 39.875 0.000) 39.875 2.282 ( 0.000 18.221 0.000) 18.221 2.416 ( 0.000 39.033 0.000) 39.033 2.622 ( 0.000 21.596 0.000) 21.596 3.149 ( 0.000 -27.458 0.000) 27.458 3.278 ( 0.000 2.638 0.000) 2.638 3.606 ( 0.000 32.861 0.000) 32.861 3.847 ( 0.000 -6.369 0.000) 6.369 3.985 ( 0.000 36.254 0.000) 36.254 5.664 ( 0.000 -1.950 0.000) 1.950 6.382 ( 0.000 -29.123 0.000) 29.123 6.491 ( 0.000 -13.528 0.000) 13.528 6.905 ( 0.000 -24.782 0.000) 24.782 7.818 ( 0.000 9.315 0.000) 9.315 7.872 ( 0.000 10.500 0.000) 10.500 7.998 ( 0.000 -2.254 0.000) 2.254 8.186 ( 0.000 -16.334 0.000) 16.334 9.106 ( 0.000 0.437 0.000) 0.437 10.042 ( 0.000 -13.639 0.000) 13.639 10.060 ( 0.000 4.728 0.000) 4.728 10.645 ( 0.000 9.770 0.000) 9.770 11.045 ( 0.000 -11.442 0.000) 11.442 11.144 ( 0.000 11.861 0.000) 11.861 12.316 ( 0.000 -21.723 0.000) 21.723 12.431 ( 0.000 2.645 0.000) 2.645 12.449 ( 0.000 9.465 0.000) 9.465 12.461 ( 0.000 6.677 0.000) 6.677 13.446 ( 0.000 -11.130 0.000) 11.130 14.292 ( 0.000 -2.066 0.000) 2.066 15.277 ( 0.000 -10.998 0.000) 10.998 15.512 ( 0.000 -7.342 0.000) 7.342 15.554 ( 0.000 9.603 0.000) 9.603 15.610 ( 0.000 3.596 0.000) 3.596 17.207 ( 0.000 12.571 0.000) 12.571 17.335 ( 0.000 -11.319 0.000) 11.319 18.796 ( 0.000 7.202 0.000) 7.202 18.868 ( 0.000 -7.440 0.000) 7.440 19.453 ( 0.000 1.277 0.000) 1.277 19.538 ( 0.000 -1.445 0.000) 1.445 23.684 ( 0.000 5.201 0.000) 5.201 23.830 ( 0.000 2.516 0.000) 2.516 26.868 ( 0.000 0.209 0.000) 0.209 26.871 ( 0.000 0.234 0.000) 0.234 29.803 ( 0.000 -1.030 0.000) 1.030 29.970 ( 0.000 -1.769 0.000) 1.769 29.982 ( 0.000 5.934 0.000) 5.934 30.931 ( 0.000 -43.369 0.000) 43.369 32.489 ( 0.000 -0.491 0.000) 0.491 32.764 ( 0.000 -6.193 0.000) 6.193 34.272 ( 0.000 -7.550 0.000) 7.550 34.899 ( 0.000 -8.086 0.000) 8.086 36.185 ( 0.000 25.115 0.000) 25.115 37.395 ( 0.000 4.302 0.000) 4.302======================= Grid point 16 (11/126) =======================q-point: ( 0.25 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( 16.417 11.720 0.000) 20.171 1.670 ( -11.688 35.554 0.000) 37.426 2.105 ( -13.107 20.877 0.000) 24.650 2.194 ( -26.419 15.456 0.000) 30.608 2.850 ( 25.872 28.055 0.000) 38.163 3.319 ( 3.069 -6.648 0.000) 7.322 3.401 ( 11.411 8.635 0.000) 14.310 3.703 ( 10.459 31.003 0.000) 32.719 3.787 ( -5.168 15.429 0.000) 16.271 4.147 ( 9.856 18.577 0.000) 21.029 5.545 ( -5.454 -10.610 0.000) 11.930 6.221 ( -17.456 -31.502 0.000) 36.016 6.501 ( 1.609 -15.618 0.000) 15.701 6.751 ( -11.614 -22.303 0.000) 25.146 7.676 ( -2.299 2.892 0.000) 3.695 7.846 ( -4.232 -3.915 0.000) 5.765 8.277 ( 14.098 7.318 0.000) 15.884 8.285 ( 9.186 6.594 0.000) 11.307 9.187 ( 7.422 -8.208 0.000) 11.067 9.714 ( -17.239 -12.334 0.000) 21.196 10.323 ( 11.299 2.060 0.000) 11.486 10.612 ( -3.376 8.643 0.000) 9.278 11.087 ( 3.759 -9.127 0.000) 9.871 11.162 ( 1.276 8.869 0.000) 8.961 12.221 ( -6.092 -14.428 0.000) 15.661 12.315 ( -9.236 5.608 0.000) 10.805 12.468 ( 1.776 1.461 0.000) 2.300 12.487 ( 0.485 8.317 0.000) 8.331 13.598 ( 13.557 -13.627 0.000) 19.222 14.189 ( -10.060 -7.506 0.000) 12.551 15.293 ( 2.601 -3.701 0.000) 4.523 15.475 ( -3.583 2.933 0.000) 4.631 15.682 ( 9.802 -2.278 0.000) 10.063 15.708 ( 7.502 0.342 0.000) 7.510 17.137 ( -5.034 8.272 0.000) 9.683 17.240 ( -7.989 -8.477 0.000) 11.648 18.900 ( 8.814 4.956 0.000) 10.112 18.955 ( 7.097 -4.757 0.000) 8.544 19.410 ( -3.948 0.661 0.000) 4.003 19.465 ( -6.520 -0.999 0.000) 6.596 23.699 ( 1.511 5.152 0.000) 5.369 23.800 ( -2.633 3.519 0.000) 4.395 26.873 ( 0.360 0.178 0.000) 0.402 26.874 ( 0.232 0.235 0.000) 0.330 29.911 ( 4.358 -3.102 0.000) 5.350 29.966 ( -0.418 -1.234 0.000) 1.303 30.097 ( 15.331 -3.525 0.000) 15.731 30.818 ( -11.138 -39.452 0.000) 40.994 32.516 ( 2.767 -1.196 0.000) 3.015 32.709 ( -4.930 -5.290 0.000) 7.231 34.360 ( 8.143 -7.124 0.000) 10.819 34.789 ( -9.603 -6.835 0.000) 11.787 36.369 ( 16.769 22.114 0.000) 27.753 37.209 ( -17.157 8.572 0.000) 19.179======================= Grid point 17 (12/126) =======================q-point: (-0.50 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 119Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -1.668 15.247 0.000) 15.338 1.535 ( 1.668 15.247 0.000) 15.338 1.876 ( -0.451 27.206 0.000) 27.210 1.876 ( 0.451 27.206 0.000) 27.210 3.223 ( -4.608 6.560 0.000) 8.017 3.223 ( 4.608 6.560 0.000) 8.017 3.639 ( -9.749 20.978 0.000) 23.133 3.639 ( 9.749 20.978 0.000) 23.133 4.045 ( -18.751 27.877 0.000) 33.597 4.045 ( 18.751 27.877 0.000) 33.597 5.742 ( -20.946 -29.567 0.000) 36.235 5.742 ( 20.946 -29.567 0.000) 36.235 6.573 ( -2.668 -18.360 0.000) 18.553 6.573 ( 2.668 -18.360 0.000) 18.553 7.730 ( -5.748 -4.114 0.000) 7.068 7.730 ( 5.748 -4.114 0.000) 7.068 8.421 ( -0.056 16.153 0.000) 16.154 8.421 ( 0.056 16.153 0.000) 16.154 9.395 ( -5.325 -16.929 0.000) 17.747 9.395 ( 5.325 -16.929 0.000) 17.747 10.507 ( -2.713 6.021 0.000) 6.603 10.507 ( 2.713 6.021 0.000) 6.603 11.159 ( -0.916 -0.912 0.000) 1.293 11.159 ( 0.916 -0.912 0.000) 1.293 12.173 ( -0.135 -2.769 0.000) 2.772 12.173 ( 0.135 -2.769 0.000) 2.772 12.488 ( -0.003 5.300 0.000) 5.300 12.488 ( 0.003 5.300 0.000) 5.300 13.914 ( -15.331 -13.689 0.000) 20.553 13.914 ( 15.331 -13.689 0.000) 20.553 15.380 ( -0.961 2.472 0.000) 2.652 15.380 ( 0.961 2.472 0.000) 2.652 15.806 ( -0.002 -2.593 0.000) 2.593 15.806 ( 0.002 -2.593 0.000) 2.593 17.104 ( -0.287 -1.057 0.000) 1.095 17.104 ( 0.287 -1.057 0.000) 1.095 19.046 ( -0.559 0.545 0.000) 0.781 19.046 ( 0.559 0.545 0.000) 0.781 19.353 ( -1.274 -0.485 0.000) 1.363 19.353 ( 1.274 -0.485 0.000) 1.363 23.743 ( -0.942 4.747 0.000) 4.840 23.743 ( 0.942 4.747 0.000) 4.840 26.877 ( -0.000 0.209 0.000) 0.209 26.877 ( 0.000 0.209 0.000) 0.209 29.952 ( -0.978 -0.459 0.000) 1.081 29.952 ( 0.978 -0.459 0.000) 1.081 30.495 ( -16.674 -26.475 0.000) 31.288 30.495 ( 16.674 -26.475 0.000) 31.288 32.599 ( -4.616 -3.157 0.000) 5.592 32.599 ( 4.616 -3.157 0.000) 5.592 34.567 ( -11.086 -6.387 0.000) 12.794 34.567 ( 11.086 -6.387 0.000) 12.794 36.786 ( -19.944 16.143 0.000) 25.659 36.786 ( 19.944 16.143 0.000) 25.659======================= Grid point 20 (13/126) =======================q-point: ( 0.00 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.222 ( 0.000 7.215 0.000) 7.215 2.439 ( 0.000 12.343 0.000) 12.343 2.658 ( 0.000 -21.054 0.000) 21.054 2.836 ( 0.000 38.483 0.000) 38.483 3.044 ( 0.000 16.788 0.000) 16.788 3.077 ( 0.000 20.825 0.000) 20.825 3.470 ( 0.000 24.378 0.000) 24.378 3.762 ( 0.000 -0.035 0.000) 0.035 4.110 ( 0.000 16.004 0.000) 16.004 4.623 ( 0.000 26.921 0.000) 26.921 5.576 ( 0.000 -7.938 0.000) 7.938 5.739 ( 0.000 -35.283 0.000) 35.283 6.249 ( 0.000 -9.545 0.000) 9.545 6.396 ( 0.000 -24.208 0.000) 24.208 7.893 ( 0.000 -12.545 0.000) 12.545 7.940 ( 0.000 -2.333 0.000) 2.333 7.974 ( 0.000 -0.381 0.000) 0.381 8.027 ( 0.000 10.465 0.000) 10.465 9.266 ( 0.000 13.902 0.000) 13.902 9.780 ( 0.000 -12.102 0.000) 12.102 10.142 ( 0.000 3.412 0.000) 3.412 10.814 ( 0.000 7.548 0.000) 7.548 10.850 ( 0.000 -8.024 0.000) 8.024 11.351 ( 0.000 8.559 0.000) 8.559 11.854 ( 0.000 -23.923 0.000) 23.923 12.492 ( 0.000 3.220 0.000) 3.220 12.566 ( 0.000 4.008 0.000) 4.008 12.612 ( 0.000 6.692 0.000) 6.692 13.235 ( 0.000 -9.507 0.000) 9.507 14.192 ( 0.000 -6.711 0.000) 6.711 15.103 ( 0.000 -6.504 0.000) 6.504 15.401 ( 0.000 -4.019 0.000) 4.019 15.729 ( 0.000 7.550 0.000) 7.550 15.802 ( 0.000 15.010 0.000) 15.010 17.038 ( 0.000 -18.267 0.000) 18.267 17.414 ( 0.000 8.172 0.000) 8.172 18.744 ( 0.000 -4.976 0.000) 4.976 18.947 ( 0.000 7.985 0.000) 7.985 19.442 ( 0.000 -2.514 0.000) 2.514 19.497 ( 0.000 -2.380 0.000) 2.380 23.768 ( 0.000 3.242 0.000) 3.242 23.876 ( 0.000 1.987 0.000) 1.987 26.871 ( 0.000 0.145 0.000) 0.145 26.876 ( 0.000 0.268 0.000) 0.268 29.772 ( 0.000 -1.564 0.000) 1.564 29.934 ( 0.000 -2.195 0.000) 2.195 30.108 ( 0.000 5.945 0.000) 5.945 30.231 ( 0.000 -26.369 0.000) 26.369 32.537 ( 0.000 4.606 0.000) 4.606 32.656 ( 0.000 -4.511 0.000) 4.511 34.130 ( 0.000 -6.392 0.000) 6.392 34.690 ( 0.000 -11.671 0.000) 11.671 36.600 ( 0.000 16.441 0.000) 16.441 37.472 ( 0.000 3.198 0.000) 3.198======================= Grid point 21 (14/126) =======================q-point: ( 0.25 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.428 ( 17.863 8.123 0.000) 19.623 2.238 ( -17.810 17.153 0.000) 24.727 2.475 ( -8.591 10.084 0.000) 13.247 2.612 ( -11.314 33.821 0.000) 35.663 3.179 ( 6.037 5.737 0.000) 8.328 3.256 ( 7.024 0.717 0.000) 7.060 3.757 ( 19.359 27.054 0.000) 33.267 3.865 ( 9.133 1.299 0.000) 9.225 4.221 ( 13.290 18.014 0.000) 22.386 4.672 ( 5.879 25.330 0.000) 26.003 5.380 ( -18.432 -5.952 0.000) 19.370 5.575 ( -16.370 -31.939 0.000) 35.889 6.182 ( -3.630 -15.748 0.000) 16.161 6.290 ( -7.884 -23.154 0.000) 24.460 7.733 ( -6.986 2.777 0.000) 7.518 7.740 ( -4.971 -4.625 0.000) 6.790 8.300 ( 22.821 -6.271 0.000) 23.667 8.436 ( 21.359 7.918 0.000) 22.779 9.200 ( -6.514 8.908 0.000) 11.036 9.450 ( -22.783 -12.922 0.000) 26.193 10.385 ( 14.625 3.539 0.000) 15.047 10.767 ( -4.605 7.197 0.000) 8.544 10.910 ( 5.933 -8.251 0.000) 10.163 11.267 ( -7.815 0.308 0.000) 7.821 11.927 ( 7.311 -12.666 0.000) 14.624 12.410 ( -12.277 3.766 0.000) 12.842 12.524 ( 2.757 3.217 0.000) 4.236 12.622 ( -0.837 5.197 0.000) 5.265 13.371 ( 12.465 -9.163 0.000) 15.470 14.026 ( -14.534 -7.978 0.000) 16.580 15.199 ( 7.809 -5.096 0.000) 9.325 15.422 ( -0.014 -4.635 0.000) 4.635 15.770 ( 4.659 7.046 0.000) 8.447 15.853 ( 3.774 12.887 0.000) 13.429 17.007 ( -1.769 -14.545 0.000) 14.652 17.266 ( -12.147 4.741 0.000) 13.039 18.875 ( 10.728 -3.245 0.000) 11.208 19.009 ( 5.287 6.210 0.000) 8.156 19.391 ( -4.659 -2.715 0.000) 5.392 19.436 ( -5.525 -1.727 0.000) 5.788 23.782 ( 1.340 3.174 0.000) 3.446 23.858 ( -1.661 2.324 0.000) 2.856 26.875 ( 0.290 0.060 0.000) 0.296 26.878 ( 0.142 0.178 0.000) 0.227 29.831 ( 5.180 -3.828 0.000) 6.441 29.946 ( 0.781 -0.831 0.000) 1.140 30.104 ( -0.258 2.205 0.000) 2.220 30.188 ( -3.815 -23.956 0.000) 24.258 32.551 ( 1.309 3.950 0.000) 4.161 32.632 ( -2.050 -2.400 0.000) 3.156 34.211 ( 7.579 -7.303 0.000) 10.525 34.602 ( -8.069 -10.747 0.000) 13.439 36.732 ( 12.281 14.349 0.000) 18.887 37.345 ( -11.919 5.230 0.000) 13.016======================= Grid point 22 (15/126) =======================q-point: (-0.50 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 119Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( -13.684 13.224 0.000) 19.030 1.834 ( 13.684 13.224 0.000) 19.030 2.440 ( -2.372 29.300 0.000) 29.396 2.440 ( 2.372 29.300 0.000) 29.396 3.276 ( -0.565 0.136 0.000) 0.581 3.276 ( 0.565 0.136 0.000) 0.581 3.968 ( -1.675 12.309 0.000) 12.422 3.968 ( 1.675 12.309 0.000) 12.422 4.653 ( -20.774 29.235 0.000) 35.865 4.653 ( 20.774 29.235 0.000) 35.865 5.186 ( -9.243 -24.274 0.000) 25.974 5.186 ( 9.243 -24.274 0.000) 25.974 6.173 ( -0.635 -21.628 0.000) 21.638 6.173 ( 0.635 -21.628 0.000) 21.638 7.682 ( -0.435 -0.655 0.000) 0.786 7.682 ( 0.435 -0.655 0.000) 0.786 8.689 ( -5.878 8.680 0.000) 10.484 8.689 ( 5.878 8.680 0.000) 10.484 9.086 ( -0.408 -11.591 0.000) 11.598 9.086 ( 0.408 -11.591 0.000) 11.598 10.628 ( -5.565 6.057 0.000) 8.225 10.628 ( 5.565 6.057 0.000) 8.225 11.077 ( -9.878 -6.993 0.000) 12.103 11.077 ( 9.878 -6.993 0.000) 12.103 12.139 ( -4.285 -0.548 0.000) 4.320 12.139 ( 4.285 -0.548 0.000) 4.320 12.583 ( -0.249 4.002 0.000) 4.010 12.583 ( 0.249 4.002 0.000) 4.010 13.687 ( -17.633 -9.092 0.000) 19.838 13.687 ( 17.633 -9.092 0.000) 19.838 15.353 ( -2.005 -3.991 0.000) 4.467 15.353 ( 2.005 -3.991 0.000) 4.467 15.873 ( -0.434 7.736 0.000) 7.748 15.873 ( 0.434 7.736 0.000) 7.748 17.047 ( -1.904 -4.244 0.000) 4.651 17.047 ( 1.904 -4.244 0.000) 4.651 19.060 ( -2.639 1.028 0.000) 2.832 19.060 ( 2.639 1.028 0.000) 2.832 19.330 ( -1.976 -1.727 0.000) 2.624 19.330 ( 1.976 -1.727 0.000) 2.624 23.818 ( -0.914 2.879 0.000) 3.021 23.818 ( 0.914 2.879 0.000) 3.021 26.879 ( -0.002 0.036 0.000) 0.037 26.879 ( 0.002 0.036 0.000) 0.037 29.932 ( -3.079 -2.572 0.000) 4.012 29.932 ( 3.079 -2.572 0.000) 4.012 30.115 ( -0.810 -11.743 0.000) 11.771 30.115 ( 0.810 -11.743 0.000) 11.771 32.587 ( -1.645 1.489 0.000) 2.219 32.587 ( 1.645 1.489 0.000) 2.219 34.404 ( -10.421 -9.046 0.000) 13.799 34.404 ( 10.421 -9.046 0.000) 13.799 37.040 ( -15.991 9.802 0.000) 18.756 37.040 ( 15.991 9.802 0.000) 18.756======================= Grid point 25 (16/126) =======================q-point: ( 0.00 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.322 ( 0.000 2.698 0.000) 2.698 2.359 ( 0.000 -8.144 0.000) 8.144 2.583 ( 0.000 3.366 0.000) 3.366 3.161 ( 0.000 1.222 0.000) 1.222 3.307 ( 0.000 3.216 0.000) 3.216 3.554 ( 0.000 29.569 0.000) 29.569 3.896 ( 0.000 9.332 0.000) 9.332 4.145 ( 0.000 35.888 0.000) 35.888 4.174 ( 0.000 -8.593 0.000) 8.593 5.001 ( 0.000 10.220 0.000) 10.220 5.019 ( 0.000 -35.455 0.000) 35.455 5.379 ( 0.000 -8.583 0.000) 8.583 6.045 ( 0.000 -9.384 0.000) 9.384 6.139 ( 0.000 -2.156 0.000) 2.156 7.716 ( 0.000 -4.785 0.000) 4.785 7.869 ( 0.000 -2.817 0.000) 2.817 7.973 ( 0.000 0.089 0.000) 0.089 8.187 ( 0.000 4.653 0.000) 4.653 9.529 ( 0.000 9.106 0.000) 9.106 9.600 ( 0.000 -5.209 0.000) 5.209 10.190 ( 0.000 1.338 0.000) 1.338 10.738 ( 0.000 -3.007 0.000) 3.007 10.953 ( 0.000 6.101 0.000) 6.101 11.438 ( 0.000 -15.161 0.000) 15.161 11.468 ( 0.000 3.057 0.000) 3.057 12.544 ( 0.000 1.614 0.000) 1.614 12.619 ( 0.000 1.334 0.000) 1.334 12.706 ( 0.000 2.579 0.000) 2.579 13.096 ( 0.000 -3.962 0.000) 3.962 14.081 ( 0.000 -3.432 0.000) 3.432 15.018 ( 0.000 -2.128 0.000) 2.128 15.349 ( 0.000 -1.262 0.000) 1.262 15.835 ( 0.000 2.881 0.000) 2.881 16.158 ( 0.000 19.184 0.000) 19.184 16.643 ( 0.000 -20.116 0.000) 20.116 17.524 ( 0.000 2.836 0.000) 2.836 18.676 ( 0.000 -1.748 0.000) 1.748 19.095 ( 0.000 5.802 0.000) 5.802 19.368 ( 0.000 -3.904 0.000) 3.904 19.459 ( 0.000 -1.136 0.000) 1.136 23.811 ( 0.000 1.078 0.000) 1.078 23.904 ( 0.000 0.754 0.000) 0.754 26.873 ( 0.000 0.051 0.000) 0.051 26.880 ( 0.000 0.127 0.000) 0.127 29.749 ( 0.000 -0.614 0.000) 0.614 29.819 ( 0.000 -7.366 0.000) 7.366 29.966 ( 0.000 -2.323 0.000) 2.323 30.195 ( 0.000 2.411 0.000) 2.411 32.594 ( 0.000 -1.636 0.000) 1.636 32.627 ( 0.000 3.123 0.000) 3.123 34.037 ( 0.000 -2.545 0.000) 2.545 34.500 ( 0.000 -5.852 0.000) 5.852 36.822 ( 0.000 5.758 0.000) 5.758 37.516 ( 0.000 1.175 0.000) 1.175======================= Grid point 26 (17/126) =======================q-point: ( 0.25 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.544 ( 20.087 3.244 0.000) 20.347 2.430 ( -14.913 4.334 0.000) 15.530 2.570 ( 18.248 1.171 0.000) 18.285 3.170 ( -0.378 6.177 0.000) 6.188 3.293 ( -1.392 1.263 0.000) 1.879 3.356 ( -13.357 24.018 0.000) 27.482 3.941 ( 4.230 4.750 0.000) 6.360 4.125 ( -2.330 -2.926 0.000) 3.741 4.449 ( 20.814 14.687 0.000) 25.474 4.967 ( -3.701 3.389 0.000) 5.018 5.055 ( 4.116 -18.472 0.000) 18.925 5.367 ( -1.820 4.790 0.000) 5.124 5.919 ( -10.730 -11.369 0.000) 15.633 5.921 ( -16.893 -9.052 0.000) 19.165 7.691 ( -0.931 -0.607 0.000) 1.112 7.778 ( -8.093 1.416 0.000) 8.216 8.147 ( 23.011 -5.928 0.000) 23.763 8.556 ( 23.989 3.494 0.000) 24.242 9.254 ( -25.992 -5.652 0.000) 26.600 9.396 ( -12.869 7.105 0.000) 14.700 10.444 ( 17.236 1.960 0.000) 17.347 10.783 ( 4.368 -3.863 0.000) 5.831 10.907 ( -4.637 6.800 0.000) 8.230 11.158 ( -13.737 -8.698 0.000) 16.260 11.785 ( 17.318 -2.312 0.000) 17.472 12.459 ( -13.429 1.246 0.000) 13.486 12.575 ( 2.766 1.543 0.000) 3.168 12.691 ( -1.754 1.740 0.000) 2.471 13.246 ( 12.935 -3.272 0.000) 13.343 13.907 ( -15.042 -3.417 0.000) 15.426 15.124 ( 8.449 -2.088 0.000) 8.703 15.354 ( -0.649 -1.816 0.000) 1.928 15.878 ( 4.680 3.091 0.000) 5.609 16.141 ( -3.010 13.279 0.000) 13.616 16.705 ( 7.546 -13.478 0.000) 15.447 17.327 ( -16.712 1.471 0.000) 16.776 18.830 ( 12.574 -1.162 0.000) 12.627 19.137 ( 3.429 5.955 0.000) 6.872 19.309 ( -5.243 -4.757 0.000) 7.079 19.408 ( -4.698 -0.823 0.000) 4.769 23.824 ( 1.243 1.058 0.000) 1.632 23.890 ( -1.338 0.834 0.000) 1.577 26.875 ( 0.192 0.007 0.000) 0.192 26.880 ( -0.004 0.068 0.000) 0.068 29.778 ( 2.661 -1.395 0.000) 3.005 29.863 ( 3.183 -7.604 0.000) 8.243 29.944 ( -1.088 -0.689 0.000) 1.288 30.142 ( -4.942 1.167 0.000) 5.078 32.607 ( 1.102 -0.463 0.000) 1.196 32.630 ( 0.202 2.825 0.000) 2.832 34.100 ( 5.980 -3.191 0.000) 6.778 34.426 ( -6.863 -5.467 0.000) 8.775 36.927 ( 9.730 5.036 0.000) 10.957 37.415 ( -9.478 1.833 0.000) 9.654======================= Grid point 27 (18/126) =======================q-point: (-0.50 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 119Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.019 ( -23.098 4.898 0.000) 23.612 2.019 ( 23.098 4.898 0.000) 23.612 2.964 ( -15.361 19.782 0.000) 25.046 2.964 ( 15.361 19.782 0.000) 25.046 3.259 ( -1.068 -1.745 0.000) 2.046 3.259 ( 1.068 -1.745 0.000) 2.046 4.045 ( -4.462 -3.938 0.000) 5.952 4.045 ( 4.462 -3.938 0.000) 5.952 4.819 ( -11.655 -5.647 0.000) 12.951 4.819 ( 11.655 -5.647 0.000) 12.951 5.222 ( -11.222 22.115 0.000) 24.799 5.222 ( 11.222 22.115 0.000) 24.799 5.739 ( -0.875 -21.066 0.000) 21.084 5.739 ( 0.875 -21.066 0.000) 21.084 7.691 ( -1.040 0.892 0.000) 1.370 7.691 ( 1.040 0.892 0.000) 1.370 8.680 ( -27.866 -4.716 0.000) 28.262 8.680 ( 27.866 -4.716 0.000) 28.262 9.041 ( -16.607 2.859 0.000) 16.852 9.041 ( 16.607 2.859 0.000) 16.852 10.750 ( -10.154 6.340 0.000) 11.970 10.750 ( 10.154 6.340 0.000) 11.970 10.916 ( -9.277 -8.118 0.000) 12.328 10.916 ( 9.277 -8.118 0.000) 12.328 12.140 ( -13.896 0.222 0.000) 13.898 12.140 ( 13.896 0.222 0.000) 13.898 12.639 ( -0.869 1.486 0.000) 1.721 12.639 ( 0.869 1.486 0.000) 1.721 13.562 ( -17.559 -3.264 0.000) 17.860 13.562 ( 17.559 -3.264 0.000) 17.860 15.285 ( -4.355 -2.074 0.000) 4.824 15.285 ( 4.355 -2.074 0.000) 4.824 16.018 ( -5.027 4.915 0.000) 7.030 16.018 ( 5.027 4.915 0.000) 7.031 16.965 ( -14.498 -2.979 0.000) 14.801 16.965 ( 14.498 -2.979 0.000) 14.801 19.083 ( -10.405 0.947 0.000) 10.448 19.083 ( 10.405 0.947 0.000) 10.448 19.295 ( -5.345 -1.327 0.000) 5.507 19.295 ( 5.345 -1.327 0.000) 5.507 23.856 ( -1.447 0.976 0.000) 1.745 23.856 ( 1.447 0.976 0.000) 1.745 26.879 ( -0.022 -0.015 0.000) 0.027 26.879 ( 0.022 -0.015 0.000) 0.027 29.845 ( -3.007 -3.623 0.000) 4.709 29.845 ( 3.007 -3.623 0.000) 4.709 30.018 ( -6.640 -0.946 0.000) 6.707 30.018 ( 6.640 -0.946 0.000) 6.707 32.627 ( -0.450 1.612 0.000) 1.674 32.627 ( 0.450 1.612 0.000) 1.674 34.258 ( -8.894 -4.465 0.000) 9.952 34.258 ( 8.894 -4.465 0.000) 9.952 37.172 ( -13.364 3.409 0.000) 13.792 37.172 ( 13.364 3.409 0.000) 13.792======================= Grid point 55 (19/126) =======================q-point: ( 0.00 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.190 ( 0.000 0.000 12.784) 12.784 0.435 ( 0.000 0.000 21.647) 21.647 0.738 ( 0.000 0.000 33.328) 33.328 1.714 ( 0.000 0.000 37.146) 37.146 1.945 ( 0.000 0.000 11.313) 11.313 2.239 ( 0.000 0.000 7.417) 7.417 2.326 ( 0.000 0.000 1.027) 1.027 3.158 ( 0.000 0.000 -4.324) 4.324 4.195 ( 0.000 0.000 12.879) 12.879 4.349 ( 0.000 0.000 -4.588) 4.588 5.752 ( 0.000 0.000 4.585) 4.585 6.975 ( 0.000 0.000 -0.218) 0.218 7.056 ( 0.000 0.000 3.533) 3.533 7.178 ( 0.000 0.000 1.104) 1.104 7.255 ( 0.000 0.000 3.979) 3.979 8.018 ( 0.000 0.000 -5.124) 5.124 8.153 ( 0.000 0.000 0.528) 0.528 8.923 ( 0.000 0.000 -5.336) 5.336 9.767 ( 0.000 0.000 -2.850) 2.850 9.818 ( 0.000 0.000 -0.710) 0.710 9.881 ( 0.000 0.000 2.820) 2.820 10.563 ( 0.000 0.000 0.775) 0.775 10.639 ( 0.000 0.000 1.990) 1.990 11.395 ( 0.000 0.000 -2.815) 2.815 11.784 ( 0.000 0.000 -3.833) 3.833 11.908 ( 0.000 0.000 -8.720) 8.720 13.031 ( 0.000 0.000 2.809) 2.809 13.085 ( 0.000 0.000 8.749) 8.749 13.828 ( 0.000 0.000 -2.057) 2.057 14.103 ( 0.000 0.000 0.564) 0.564 15.146 ( 0.000 0.000 -3.149) 3.149 15.665 ( 0.000 0.000 -16.255) 16.255 15.740 ( 0.000 0.000 -15.727) 15.727 16.196 ( 0.000 0.000 -9.716) 9.716 16.586 ( 0.000 0.000 24.855) 24.855 18.431 ( 0.000 0.000 2.694) 2.694 18.667 ( 0.000 0.000 -1.947) 1.947 19.385 ( 0.000 0.000 2.225) 2.225 19.417 ( 0.000 0.000 5.663) 5.663 19.493 ( 0.000 0.000 12.740) 12.740 23.353 ( 0.000 0.000 -6.328) 6.328 23.387 ( 0.000 0.000 -5.000) 5.000 26.968 ( 0.000 0.000 10.918) 10.918 29.653 ( 0.000 0.000 -1.986) 1.986 29.696 ( 0.000 0.000 1.227) 1.227 29.981 ( 0.000 0.000 3.495) 3.495 30.085 ( 0.000 0.000 3.626) 3.626 32.817 ( 0.000 0.000 -5.964) 5.964 32.992 ( 0.000 0.000 -3.466) 3.466 33.901 ( 0.000 0.000 -21.149) 21.149 34.230 ( 0.000 0.000 -0.369) 0.369 34.246 ( 0.000 0.000 1.178) 1.178 34.561 ( 0.000 0.000 1.686) 1.686 34.813 ( 0.000 0.000 0.051) 0.051======================= Grid point 56 (20/126) =======================q-point: ( 0.25 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.685 ( 18.047 0.000 16.674) 24.570 0.727 ( 9.771 0.000 23.190) 25.164 1.319 ( 57.039 0.000 7.775) 57.567 1.618 ( -8.147 0.000 36.571) 37.467 1.961 ( 5.174 0.000 1.812) 5.482 2.029 ( -16.967 0.000 8.324) 18.899 2.293 ( -4.899 0.000 2.529) 5.513 3.346 ( 6.878 0.000 -1.213) 6.984 3.742 ( -38.508 0.000 4.779) 38.803 4.091 ( -9.774 0.000 12.968) 16.239 6.301 ( 39.985 0.000 -2.688) 40.075 6.973 ( 1.275 0.000 0.100) 1.279 7.097 ( -4.046 0.000 0.703) 4.107 7.239 ( 14.414 0.000 2.667) 14.659 7.451 ( 14.419 0.000 5.951) 15.599 7.761 ( -24.483 0.000 -9.135) 26.132 8.043 ( -9.362 0.000 0.823) 9.399 8.573 ( -26.176 0.000 4.725) 26.599 9.776 ( 0.746 0.000 -2.598) 2.703 9.804 ( -0.314 0.000 -2.015) 2.039 10.238 ( 26.467 0.000 -0.338) 26.469 10.582 ( 1.219 0.000 1.016) 1.587 10.629 ( -0.934 0.000 1.883) 2.102 11.218 ( -16.389 0.000 -2.646) 16.601 11.844 ( 7.532 0.000 -8.196) 11.131 11.957 ( 3.527 0.000 -10.699) 11.266 12.651 ( -8.646 0.000 19.864) 21.664 12.915 ( -13.903 0.000 11.612) 18.115 14.264 ( 13.371 0.000 -0.450) 13.378 14.565 ( 19.930 0.000 -26.318) 33.013 15.122 ( 2.848 0.000 -8.372) 8.843 15.527 ( -8.903 0.000 -17.220) 19.386 15.887 ( 9.169 0.000 -14.517) 17.170 16.164 ( -3.346 0.000 -10.456) 10.978 16.699 ( 11.378 0.000 24.429) 26.949 17.709 ( -42.252 0.000 26.012) 49.617 18.781 ( 13.282 0.000 9.983) 16.615 19.302 ( -8.078 0.000 3.002) 8.618 19.416 ( -0.157 0.000 5.600) 5.602 19.423 ( -1.565 0.000 8.256) 8.403 23.369 ( 0.741 0.000 -5.613) 5.662 23.386 ( -0.186 0.000 -4.930) 4.934 26.991 ( 2.386 0.000 12.963) 13.180 27.433 ( -36.692 0.000 43.621) 57.001 29.995 ( 1.472 0.000 4.182) 4.434 30.070 ( -1.456 0.000 3.766) 4.037 32.703 ( 57.613 0.000 -68.905) 89.818 32.837 ( 1.898 0.000 -6.266) 6.547 33.026 ( 12.513 0.000 -13.614) 18.491 33.827 ( -7.505 0.000 -24.447) 25.573 34.209 ( -1.358 0.000 0.859) 1.607 34.220 ( -1.787 0.000 1.411) 2.277 34.614 ( 4.515 0.000 1.169) 4.664 34.787 ( -2.641 0.000 0.167) 2.647======================= Grid point 57 (21/126) =======================q-point: (-0.50 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( -0.937 0.000 23.613) 23.632 0.877 ( 0.937 0.000 23.613) 23.632 1.647 ( -9.766 0.000 15.301) 18.152 1.647 ( 9.766 0.000 15.301) 18.152 2.114 ( -6.811 0.000 1.466) 6.967 2.114 ( 6.811 0.000 1.466) 6.967 2.539 ( -55.380 0.000 3.574) 55.495 2.539 ( 55.380 0.000 3.574) 55.495 3.821 ( -15.032 0.000 11.524) 18.941 3.821 ( 15.032 0.000 11.524) 18.941 7.013 ( -0.134 0.000 -1.705) 1.710 7.013 ( 0.134 0.000 -1.705) 1.710 7.105 ( -32.166 0.000 -7.670) 33.067 7.105 ( 32.166 0.000 -7.670) 33.067 7.568 ( -5.653 0.000 4.671) 7.333 7.568 ( 5.653 0.000 4.671) 7.333 8.060 ( -19.671 0.000 6.010) 20.568 8.060 ( 19.671 0.000 6.010) 20.568 9.793 ( -0.141 0.000 -2.222) 2.227 9.793 ( 0.141 0.000 -2.222) 2.227 10.604 ( -0.464 0.000 1.429) 1.503 10.604 ( 0.464 0.000 1.429) 1.503 10.785 ( -24.934 0.000 -2.152) 25.027 10.785 ( 24.934 0.000 -2.152) 25.027 11.981 ( -1.367 0.000 -13.827) 13.894 11.981 ( 1.367 0.000 -13.827) 13.894 12.658 ( -8.436 0.000 17.905) 19.792 12.658 ( 8.436 0.000 17.905) 19.792 14.542 ( -10.406 0.000 -4.506) 11.340 14.542 ( 10.406 0.000 -4.506) 11.340 15.319 ( -5.879 0.000 -18.743) 19.644 15.319 ( 5.879 0.000 -18.743) 19.644 16.058 ( -3.802 0.000 -12.341) 12.914 16.058 ( 3.802 0.000 -12.341) 12.914 17.055 ( -13.923 0.000 24.564) 28.236 17.055 ( 13.923 0.000 24.564) 28.236 19.074 ( -13.963 0.000 5.505) 15.009 19.074 ( 13.963 0.000 5.505) 15.009 19.413 ( -0.005 0.000 5.835) 5.835 19.413 ( 0.005 0.000 5.835) 5.835 23.380 ( -0.032 0.000 -4.959) 4.959 23.380 ( 0.032 0.000 -4.959) 4.959 27.081 ( -7.451 0.000 20.764) 22.060 27.081 ( 7.451 0.000 20.764) 22.060 30.033 ( -2.059 0.000 4.026) 4.522 30.033 ( 2.059 0.000 4.026) 4.522 32.883 ( -1.630 0.000 -7.975) 8.140 32.883 ( 1.630 0.000 -7.975) 8.140 33.573 ( -3.001 0.000 -36.988) 37.109 33.573 ( 3.001 0.000 -36.988) 37.109 34.197 ( -0.001 0.000 1.391) 1.391 34.197 ( 0.001 0.000 1.391) 1.391 34.711 ( -3.875 0.000 0.545) 3.913 34.711 ( 3.875 0.000 0.545) 3.913======================= Grid point 60 (22/126) =======================q-point: ( 0.00 0.09 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.572 ( 0.000 28.832 11.803) 31.155 0.803 ( 0.000 19.599 18.042) 26.639 0.952 ( 0.000 26.537 19.988) 33.223 1.907 ( 0.000 15.751 39.171) 42.219 2.222 ( 0.000 27.214 3.149) 27.395 2.252 ( 0.000 2.269 7.640) 7.969 2.602 ( 0.000 25.807 1.158) 25.833 3.173 ( 0.000 1.122 -4.837) 4.966 4.159 ( 0.000 -17.949 -3.022) 18.201 4.170 ( 0.000 -2.476 13.069) 13.302 5.747 ( 0.000 -1.002 4.271) 4.387 6.914 ( 0.000 -6.107 -0.170) 6.109 7.127 ( 0.000 -7.429 -1.084) 7.508 7.131 ( 0.000 5.882 -2.431) 6.364 7.364 ( 0.000 10.604 7.858) 13.198 7.910 ( 0.000 -9.947 -4.972) 11.120 8.122 ( 0.000 -4.104 -2.741) 4.935 8.802 ( 0.000 -10.337 -0.611) 10.355 9.519 ( 0.000 -14.501 1.339) 14.563 9.858 ( 0.000 3.887 -0.761) 3.960 10.116 ( 0.000 12.621 -2.359) 12.840 10.509 ( 0.000 -4.739 2.259) 5.250 10.714 ( 0.000 7.130 1.161) 7.224 11.450 ( 0.000 -3.662 -8.188) 8.970 11.807 ( 0.000 6.077 -8.629) 10.554 11.965 ( 0.000 5.237 -9.985) 11.275 12.850 ( 0.000 -8.556 17.654) 19.618 13.027 ( 0.000 -5.843 9.978) 11.563 13.784 ( 0.000 -4.410 -1.363) 4.616 14.170 ( 0.000 5.592 1.288) 5.739 15.187 ( 0.000 4.181 -3.594) 5.513 15.544 ( 0.000 -10.586 -15.887) 19.091 15.722 ( 0.000 -3.674 -12.593) 13.118 16.045 ( 0.000 -12.707 -1.748) 12.826 16.747 ( 0.000 13.314 15.854) 20.703 18.050 ( 0.000 -30.473 33.659) 45.404 18.525 ( 0.000 8.209 3.242) 8.826 19.209 ( 0.000 -9.178 2.166) 9.430 19.419 ( 0.000 0.361 5.073) 5.086 19.521 ( 0.000 2.764 4.905) 5.630 23.396 ( 0.000 4.071 -6.663) 7.808 23.558 ( 0.000 8.461 -12.623) 15.197 26.967 ( 0.000 -0.083 10.704) 10.705 27.849 ( 0.000 -60.870 65.763) 89.610 29.681 ( 0.000 2.659 -2.408) 3.588 29.973 ( 0.000 -0.639 3.968) 4.020 30.078 ( 0.000 -1.089 4.047) 4.190 32.710 ( 0.000 -9.147 -5.128) 10.487 32.945 ( 0.000 -38.285 -5.483) 38.676 32.956 ( 0.000 -22.282 -4.549) 22.741 34.524 ( 0.000 -3.597 1.461) 3.882 34.792 ( 0.000 42.733 -11.853) 44.347 34.885 ( 0.000 5.537 -0.744) 5.587 36.313 ( 0.000 62.157 -61.700) 87.581======================= Grid point 61 (23/126) =======================q-point: ( 0.25 0.09 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.726 ( 20.970 7.022 8.160) 23.572 0.907 ( 8.270 15.584 22.217) 28.370 1.499 ( 22.078 18.488 21.167) 35.739 1.838 ( 10.312 17.002 19.729) 28.012 2.026 ( -18.877 1.452 9.916) 21.373 2.267 ( 5.485 28.208 1.658) 28.784 2.564 ( -4.323 25.583 2.089) 26.029 3.344 ( 5.970 -0.310 -1.646) 6.201 3.709 ( -27.907 -3.632 5.858) 28.746 4.093 ( -10.064 0.262 11.666) 15.410 6.132 ( 31.382 -14.154 0.216) 34.427 6.939 ( 2.818 -4.860 -0.324) 5.627 7.034 ( -6.135 -7.392 -1.101) 9.670 7.323 ( 14.125 3.240 -0.946) 14.523 7.457 ( -4.570 -0.961 0.259) 4.677 7.683 ( -3.924 -0.785 0.124) 4.003 8.087 ( -7.269 3.084 -0.462) 7.910 8.480 ( -24.133 -8.272 4.538) 25.912 9.654 ( 7.123 -10.317 -3.426) 12.996 9.850 ( -0.611 3.287 -0.417) 3.369 10.268 ( 13.166 2.602 -1.315) 13.485 10.524 ( 0.981 -4.599 2.540) 5.344 10.735 ( 3.035 9.180 0.455) 9.680 11.267 ( -14.966 1.827 -4.260) 15.668 11.851 ( 4.450 1.319 -11.403) 12.311 12.001 ( 2.796 4.049 -11.244) 12.273 12.661 ( -6.492 1.234 19.515) 20.603 12.881 ( -12.003 -3.460 12.902) 17.959 14.231 ( 16.566 -11.572 -7.709) 21.628 14.338 ( 16.921 -7.566 -4.373) 19.045 15.143 ( -3.082 2.497 -6.671) 7.762 15.489 ( -5.790 -5.481 -12.952) 15.209 15.789 ( 7.040 -8.425 -14.420) 18.124 16.075 ( 1.219 -8.263 -5.767) 10.150 16.794 ( 4.478 9.134 15.103) 18.210 17.668 ( -23.351 -3.420 27.493) 36.233 18.772 ( 15.871 1.376 6.575) 17.234 19.196 ( -2.194 -6.913 2.409) 7.642 19.409 ( -0.834 -0.390 5.108) 5.191 19.464 ( -4.621 2.211 5.055) 7.197 23.397 ( 0.084 4.051 -7.014) 8.101 23.510 ( -2.603 7.957 -6.952) 10.882 26.988 ( 2.138 -0.274 12.566) 12.749 27.310 ( -21.156 -9.639 37.402) 44.039 29.988 ( 1.423 -0.607 4.261) 4.533 30.060 ( -1.331 -0.972 3.876) 4.212 31.107 ( 78.215 -70.428 -15.369) 106.367 32.689 ( -4.838 -24.314 -7.150) 25.801 32.877 ( -4.989 -46.111 -5.138) 46.663 32.924 ( -2.579 -5.225 -3.666) 6.884 34.530 ( 0.712 0.684 0.388) 1.060 34.673 ( -6.116 17.197 -3.986) 18.683 35.055 ( 11.269 33.184 -10.857) 36.688 35.953 ( -25.736 62.699 -34.540) 76.069======================= Grid point 62 (24/126) =======================q-point: (-0.50 0.09 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.028 ( -0.000 15.091 13.832) 20.471 1.110 ( -0.000 17.197 14.760) 22.662 1.439 ( 0.000 -8.680 14.940) 17.278 1.693 ( 0.000 -0.775 23.799) 23.812 2.398 ( -0.000 26.678 0.955) 26.695 2.413 ( 0.000 26.949 1.295) 26.980 2.681 ( -0.000 11.853 3.160) 12.267 2.721 ( 0.000 16.889 3.002) 17.153 3.751 ( 0.000 -3.061 6.579) 7.256 3.876 ( -0.000 1.840 15.439) 15.549 6.758 ( 0.000 -18.115 -3.945) 18.540 6.793 ( -0.000 -22.027 -1.794) 22.099 7.043 ( -0.000 -6.670 -1.550) 6.848 7.077 ( 0.000 -3.877 -1.794) 4.272 7.627 ( 0.000 10.791 -3.308) 11.286 7.830 ( -0.000 12.651 1.667) 12.760 8.007 ( 0.000 -4.231 4.161) 5.934 8.032 ( -0.000 -0.979 8.968) 9.021 9.724 ( 0.000 -5.907 -5.290) 7.929 9.841 ( 0.000 2.610 0.106) 2.612 10.446 ( 0.000 -9.862 -0.517) 9.876 10.535 ( -0.000 -3.728 3.572) 5.164 10.896 ( 0.000 8.487 -3.425) 9.152 10.955 ( -0.000 10.379 -1.277) 10.457 11.921 ( 0.000 -3.448 -15.889) 16.259 12.038 ( 0.000 3.111 -13.013) 13.380 12.664 ( 0.000 -0.219 19.509) 19.510 12.665 ( -0.000 1.457 17.014) 17.076 14.394 ( 0.000 -11.117 -6.351) 12.803 14.525 ( -0.000 -6.419 -0.930) 6.486 15.113 ( 0.000 -7.023 -14.798) 16.380 15.405 ( 0.000 -0.540 -8.941) 8.958 15.892 ( 0.000 -10.156 -15.913) 18.878 16.075 ( 0.000 -3.975 -7.815) 8.768 16.874 ( 0.000 0.446 12.620) 12.628 17.384 ( -0.000 12.281 27.001) 29.663 19.057 ( -0.000 -0.646 4.035) 4.087 19.069 ( 0.000 -0.864 4.156) 4.244 19.399 ( -0.000 -1.121 5.585) 5.697 19.403 ( 0.000 -0.611 4.863) 4.901 23.398 ( 0.000 4.032 -7.408) 8.434 23.484 ( 0.000 6.845 -4.414) 8.145 27.052 ( 0.000 -1.919 18.933) 19.030 27.082 ( -0.000 -0.689 19.773) 19.785 30.023 ( -0.000 -0.763 4.149) 4.218 30.025 ( 0.000 -0.777 4.091) 4.164 32.063 ( -0.000 -66.098 -22.523) 69.830 32.458 ( 0.000 -67.656 -6.681) 67.985 32.861 ( 0.000 -15.574 -3.625) 15.990 32.870 ( -0.000 -8.568 -3.354) 9.201 34.549 ( 0.000 12.521 -3.015) 12.878 34.596 ( -0.000 2.112 0.675) 2.217 35.237 ( 0.000 49.308 -22.756) 54.305 35.607 ( -0.000 51.490 -10.351) 52.520======================= Grid point 65 (25/126) =======================q-point: ( 0.00 0.18 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.000 15.547 26.413) 30.649 1.235 ( 0.000 37.357 10.237) 38.735 1.622 ( 0.000 36.020 1.557) 36.053 2.242 ( 0.000 17.017 33.246) 37.348 2.372 ( 0.000 11.105 7.277) 13.277 2.900 ( 0.000 37.777 1.485) 37.807 3.199 ( 0.000 1.636 -4.150) 4.461 3.243 ( 0.000 36.331 0.392) 36.333 3.710 ( 0.000 -25.491 0.088) 25.491 4.095 ( 0.000 -5.158 13.212) 14.183 5.714 ( 0.000 -2.083 2.573) 3.311 6.738 ( 0.000 -11.711 -0.488) 11.721 6.865 ( 0.000 -18.586 -0.095) 18.586 7.199 ( 0.000 -3.721 -4.099) 5.536 7.540 ( 0.000 1.880 -3.949) 4.374 7.794 ( 0.000 6.883 5.121) 8.580 8.015 ( 0.000 -5.730 -4.607) 7.352 8.554 ( 0.000 -14.060 3.139) 14.406 9.255 ( 0.000 -11.302 2.410) 11.556 9.955 ( 0.000 5.451 -0.483) 5.472 10.226 ( 0.000 -5.126 -5.124) 7.248 10.489 ( 0.000 6.597 4.764) 8.137 10.896 ( 0.000 10.494 -0.760) 10.522 11.269 ( 0.000 -11.283 -2.518) 11.560 11.957 ( 0.000 6.789 -15.681) 17.087 12.074 ( 0.000 4.305 -13.760) 14.417 12.787 ( 0.000 1.131 19.096) 19.129 12.868 ( 0.000 -9.296 13.962) 16.774 13.656 ( 0.000 -8.368 0.275) 8.373 14.287 ( 0.000 5.099 2.559) 5.705 15.289 ( 0.000 4.987 -6.743) 8.387 15.314 ( 0.000 -11.465 -15.194) 19.035 15.630 ( 0.000 -2.868 -5.369) 6.087 15.768 ( 0.000 -14.111 0.256) 14.113 17.037 ( 0.000 15.027 11.599) 18.983 17.681 ( 0.000 -12.101 18.893) 22.436 18.699 ( 0.000 8.480 4.625) 9.659 19.040 ( 0.000 -8.162 1.281) 8.262 19.440 ( 0.000 1.760 3.544) 3.956 19.561 ( 0.000 0.964 2.676) 2.844 23.497 ( 0.000 5.686 -7.382) 9.318 23.672 ( 0.000 4.097 -10.290) 11.076 26.965 ( 0.000 -0.087 10.210) 10.210 27.234 ( 0.000 -14.265 33.125) 36.066 29.742 ( 0.000 2.791 -3.770) 4.691 29.971 ( 0.000 1.070 5.446) 5.550 30.050 ( 0.000 -1.630 4.330) 4.626 31.846 ( 0.000 -53.500 -6.148) 53.852 32.533 ( 0.000 -7.251 -3.965) 8.265 32.851 ( 0.000 -6.059 -3.830) 7.167 34.423 ( 0.000 -6.400 1.145) 6.501 34.956 ( 0.000 0.271 -1.923) 1.942 35.546 ( 0.000 34.023 -7.039) 34.743 36.986 ( 0.000 18.257 -29.287) 34.511======================= Grid point 66 (26/126) =======================q-point: ( 0.25 0.18 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.055 ( 0.849 24.717 7.294) 25.784 1.269 ( 10.991 20.038 20.611) 30.776 1.938 ( -9.193 22.775 23.688) 34.122 2.010 ( -18.199 5.694 6.238) 20.064 2.330 ( 22.642 25.125 9.675) 35.178 2.942 ( 4.567 36.537 1.686) 36.860 3.196 ( -4.605 35.127 0.956) 35.440 3.341 ( 4.911 0.783 -1.852) 5.307 3.605 ( -4.148 -5.805 7.897) 10.643 4.100 ( -5.707 0.382 9.069) 10.722 5.831 ( 15.069 -15.102 2.500) 21.480 6.742 ( -8.880 -20.543 -1.804) 22.453 6.780 ( -0.360 -12.626 0.304) 12.634 7.139 ( -13.300 -16.864 -0.723) 21.490 7.518 ( 7.518 5.514 -7.995) 12.282 7.826 ( 8.552 9.191 5.874) 13.861 8.152 ( 2.710 4.047 -1.077) 4.988 8.308 ( -16.922 -6.797 3.824) 18.632 9.407 ( 10.098 -13.574 -2.401) 17.087 9.894 ( -4.618 -0.962 2.096) 5.162 10.272 ( 3.236 -2.155 -5.184) 6.480 10.509 ( 1.494 4.653 4.948) 6.955 10.938 ( 4.435 10.370 -1.532) 11.382 11.227 ( -4.201 -5.261 -2.504) 7.183 11.892 ( -4.445 1.983 -16.615) 17.313 12.092 ( 1.015 4.161 -13.589) 14.248 12.701 ( -5.009 1.831 19.370) 20.091 12.797 ( -5.810 -3.396 16.084) 17.435 13.894 ( 17.365 -16.180 -2.161) 23.833 14.314 ( 1.026 -1.799 2.178) 3.005 15.172 ( -7.240 -0.962 -10.839) 13.070 15.405 ( 3.145 -0.196 -6.139) 6.900 15.616 ( 3.116 -7.170 -11.114) 13.589 15.884 ( 6.463 -10.052 -3.681) 12.504 17.000 ( -3.041 10.275 8.662) 13.779 17.586 ( -6.786 -5.063 22.127) 23.692 18.845 ( 11.840 4.842 4.052) 13.418 19.071 ( 2.327 -5.571 1.358) 6.188 19.413 ( -2.304 0.896 3.717) 4.464 19.494 ( -5.991 0.683 3.397) 6.921 23.501 ( 0.343 5.869 -8.180) 10.073 23.641 ( -2.251 5.243 -7.706) 9.588 26.981 ( 1.507 -0.408 11.606) 11.710 27.142 ( -6.226 -6.577 25.172) 26.752 29.974 ( 1.748 -1.102 3.455) 4.025 30.036 ( -0.990 -1.282 4.210) 4.511 30.288 ( 41.916 -20.554 -4.102) 46.864 31.678 ( -16.704 -51.866 -5.970) 54.816 32.574 ( 3.867 -7.993 -3.850) 9.678 32.798 ( -4.830 -6.891 -3.644) 9.170 34.482 ( 5.511 -4.348 0.796) 7.065 34.828 ( -9.733 1.908 -0.989) 9.968 35.754 ( 17.486 32.333 -10.124) 38.127 36.739 ( -21.259 24.057 -22.245) 39.058======================= Grid point 67 (27/126) =======================q-point: (-0.50 0.18 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 0.000 6.297 -2.608) 6.816 1.485 ( 0.000 20.579 6.403) 21.552 1.564 ( -0.000 20.764 24.835) 32.371 1.739 ( 0.000 6.965 28.470) 29.310 2.913 ( -0.000 13.189 -0.592) 13.203 3.005 ( -0.000 26.468 -0.159) 26.468 3.065 ( 0.000 34.498 1.276) 34.521 3.163 ( 0.000 29.195 6.207) 29.847 3.739 ( 0.000 3.584 2.027) 4.117 3.903 ( -0.000 1.900 15.836) 15.950 6.277 ( 0.000 -28.834 -1.761) 28.888 6.343 ( -0.000 -23.391 1.207) 23.423 6.840 ( -0.000 -13.808 -2.089) 13.965 6.933 ( 0.000 -10.753 2.480) 11.035 7.789 ( 0.000 -0.609 -3.756) 3.805 7.847 ( -0.000 -5.810 0.749) 5.858 8.014 ( -0.000 10.679 -1.671) 10.809 8.216 ( -0.000 14.782 7.159) 16.425 9.529 ( 0.000 -13.756 -8.226) 16.028 9.832 ( 0.000 -6.124 6.449) 8.894 10.311 ( 0.000 -1.159 -5.035) 5.166 10.527 ( 0.000 2.655 5.261) 5.893 11.044 ( 0.000 5.810 -4.119) 7.121 11.126 ( -0.000 6.026 -0.886) 6.091 11.843 ( 0.000 -4.177 -18.367) 18.836 12.102 ( 0.000 3.019 -13.402) 13.738 12.647 ( 0.000 -1.192 20.949) 20.983 12.722 ( 0.000 4.189 16.881) 17.393 14.141 ( -0.000 -13.251 -3.420) 13.685 14.285 ( 0.000 -16.244 2.383) 16.418 15.082 ( 0.000 2.885 -12.339) 12.672 15.422 ( 0.000 3.487 0.231) 3.495 15.686 ( 0.000 -9.759 -17.940) 20.423 15.951 ( 0.000 -7.448 -5.799) 9.440 16.960 ( 0.000 5.268 5.026) 7.281 17.505 ( 0.000 0.715 26.103) 26.113 19.048 ( -0.000 -1.000 2.022) 2.255 19.065 ( 0.000 1.354 2.251) 2.626 19.385 ( -0.000 -0.151 4.459) 4.461 19.394 ( 0.000 -0.335 4.052) 4.066 23.506 ( 0.000 6.119 -9.356) 11.179 23.614 ( -0.000 5.788 -5.191) 7.775 27.014 ( 0.000 -1.774 15.429) 15.530 27.059 ( -0.000 -1.489 16.846) 16.912 30.006 ( -0.000 -1.014 4.080) 4.204 30.008 ( 0.000 -0.705 4.335) 4.392 30.999 ( -0.000 -41.222 -12.646) 43.118 31.269 ( 0.000 -47.679 -0.586) 47.683 32.660 ( 0.000 -8.097 -4.479) 9.253 32.699 ( -0.000 -8.060 -2.752) 8.517 34.615 ( 0.000 -0.898 -0.784) 1.192 34.650 ( -0.000 0.300 0.949) 0.995 36.081 ( 0.000 33.999 -20.425) 39.663 36.360 ( 0.000 27.011 -8.448) 28.302======================= Grid point 70 (28/126) =======================q-point: ( 0.00 0.27 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( 0.000 12.107 30.151) 32.491 2.018 ( 0.000 40.864 8.124) 41.663 2.310 ( 0.000 32.608 -7.137) 33.380 2.551 ( 0.000 13.758 28.469) 31.619 2.724 ( 0.000 23.760 6.755) 24.702 3.174 ( 0.000 -25.613 2.404) 25.726 3.254 ( 0.000 5.018 -1.510) 5.240 3.620 ( 0.000 32.683 1.486) 32.717 3.968 ( 0.000 -7.347 12.389) 14.404 3.988 ( 0.000 35.953 0.386) 35.955 5.669 ( 0.000 -2.756 0.351) 2.778 6.358 ( 0.000 -28.013 -2.279) 28.106 6.514 ( 0.000 -14.438 2.238) 14.611 6.873 ( 0.000 -24.593 -2.934) 24.767 7.661 ( 0.000 10.384 -10.389) 14.688 7.913 ( 0.000 -4.716 -6.331) 7.895 8.008 ( 0.000 8.522 8.005) 11.692 8.277 ( 0.000 -12.909 6.786) 14.584 9.119 ( 0.000 -1.068 1.228) 1.627 10.035 ( 0.000 -11.398 -0.687) 11.419 10.060 ( 0.000 4.960 0.002) 4.960 10.663 ( 0.000 8.800 1.686) 8.960 11.001 ( 0.000 -7.294 -3.669) 8.165 11.160 ( 0.000 7.614 0.662) 7.643 12.052 ( 0.000 -8.589 -15.537) 17.753 12.058 ( 0.000 3.658 -17.786) 18.159 12.726 ( 0.000 -3.099 16.572) 16.859 12.856 ( 0.000 5.062 19.316) 19.969 13.464 ( 0.000 -10.560 1.804) 10.713 14.321 ( 0.000 -2.474 2.957) 3.856 15.117 ( 0.000 -8.126 -13.424) 15.692 15.375 ( 0.000 5.362 -11.620) 12.797 15.516 ( 0.000 -10.963 -2.454) 11.234 15.686 ( 0.000 7.824 0.304) 7.830 17.317 ( 0.000 12.782 11.055) 16.899 17.443 ( 0.000 -13.396 11.323) 17.541 18.854 ( 0.000 7.416 5.730) 9.372 18.889 ( 0.000 -6.953 2.059) 7.251 19.473 ( 0.000 0.936 2.246) 2.433 19.557 ( 0.000 -1.231 2.448) 2.741 23.605 ( 0.000 4.934 -8.036) 9.430 23.741 ( 0.000 2.990 -9.027) 9.509 26.964 ( 0.000 -0.023 9.725) 9.725 27.065 ( 0.000 -4.887 18.809) 19.434 29.766 ( 0.000 -0.385 -3.884) 3.903 30.018 ( 0.000 -1.493 4.711) 4.942 30.036 ( 0.000 5.343 5.679) 7.797 30.881 ( 0.000 -42.881 -4.877) 43.157 32.455 ( 0.000 -0.397 -3.444) 3.467 32.726 ( 0.000 -6.266 -3.953) 7.409 34.280 ( 0.000 -7.705 0.832) 7.750 34.876 ( 0.000 -8.072 -2.320) 8.399 36.144 ( 0.000 26.298 -4.074) 26.612 37.242 ( 0.000 9.461 -14.797) 17.563======================= Grid point 71 (29/126) =======================q-point: ( 0.25 0.27 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.498 ( 4.430 15.595 20.729) 26.316 1.769 ( -5.505 32.028 8.327) 33.548 2.225 ( -21.765 16.556 4.280) 27.680 2.344 ( -15.037 17.535 22.908) 32.532 2.846 ( 21.128 23.464 0.831) 31.586 3.345 ( 5.943 4.632 2.203) 7.851 3.453 ( 13.659 0.809 5.078) 14.595 3.712 ( 9.748 30.723 0.937) 32.246 3.839 ( -6.059 17.881 6.207) 19.873 4.178 ( 8.107 15.071 3.826) 17.536 5.563 ( -4.552 -11.635 1.773) 12.619 6.216 ( -15.811 -30.493 -0.362) 34.351 6.499 ( -0.297 -16.044 -0.244) 16.049 6.756 ( -8.653 -21.591 0.619) 23.268 7.619 ( 1.322 4.541 -5.495) 7.251 7.861 ( -4.346 -5.225 0.945) 6.862 8.248 ( 9.089 6.137 -2.278) 11.201 8.324 ( 9.813 5.811 3.348) 11.886 9.169 ( 3.531 -8.704 -1.680) 9.542 9.760 ( -13.263 -11.076 4.382) 17.827 10.288 ( 9.381 3.771 -3.218) 10.611 10.641 ( -2.001 7.300 2.513) 7.975 11.045 ( 3.962 -5.258 -3.540) 7.475 11.170 ( 0.671 5.299 0.046) 5.342 11.892 ( -8.839 -2.999 -18.411) 20.642 12.128 ( 1.345 -0.590 -14.660) 14.734 12.686 ( -3.353 -0.350 18.800) 19.100 12.831 ( -1.514 4.670 18.089) 18.743 13.608 ( 13.099 -12.920 0.997) 18.426 14.213 ( -10.542 -8.028 2.408) 13.467 15.138 ( 1.620 -2.289 -12.348) 12.663 15.434 ( 5.343 3.347 -11.970) 13.528 15.533 ( 0.691 -4.880 -3.366) 5.968 15.761 ( 6.102 1.360 -2.336) 6.674 17.156 ( -10.334 4.071 6.531) 12.885 17.470 ( -0.230 -5.782 18.689) 19.564 18.930 ( 7.000 2.174 2.789) 7.842 18.986 ( 7.547 -1.491 3.192) 8.329 19.431 ( -3.639 0.405 2.598) 4.489 19.491 ( -5.918 -0.856 3.117) 6.743 23.612 ( 0.615 5.076 -8.726) 10.114 23.725 ( -1.280 3.403 -7.827) 8.630 26.973 ( 0.779 -0.357 10.546) 10.581 27.047 ( -1.391 -3.319 16.549) 16.936 29.906 ( 8.575 -5.635 -1.836) 10.424 30.012 ( -0.613 -1.136 4.469) 4.651 30.109 ( 10.124 -0.569 2.710) 10.496 30.776 ( -10.347 -38.797 -4.181) 40.370 32.482 ( 2.673 -1.152 -3.515) 4.564 32.673 ( -4.710 -5.368 -3.714) 8.049 34.364 ( 7.732 -7.287 0.384) 10.631 34.774 ( -8.986 -6.981 -1.556) 11.485 36.309 ( 14.948 23.912 -5.956) 28.822 37.080 ( -14.921 12.475 -12.516) 23.128======================= Grid point 72 (30/126) =======================q-point: (-0.50 0.27 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 0.000 18.365 1.840) 18.457 1.927 ( 0.000 16.641 14.191) 21.871 1.971 ( -0.000 22.736 16.930) 28.347 2.031 ( 0.000 24.724 19.683) 31.602 3.102 ( 0.000 6.362 -3.344) 7.187 3.384 ( 0.000 11.794 6.370) 13.404 3.647 ( -0.000 19.894 0.798) 19.910 3.705 ( 0.000 17.698 8.513) 19.639 4.029 ( -0.000 28.224 -0.740) 28.234 4.092 ( 0.000 23.143 5.197) 23.719 5.684 ( 0.000 -30.363 -1.494) 30.400 5.844 ( -0.000 -26.712 5.960) 27.369 6.507 ( -0.000 -19.338 -3.251) 19.610 6.654 ( 0.000 -17.256 4.720) 17.890 7.715 ( 0.000 -3.651 -1.770) 4.057 7.734 ( -0.000 -4.736 0.526) 4.765 8.322 ( -0.000 17.444 -5.528) 18.299 8.493 ( 0.000 12.348 2.783) 12.657 9.209 ( 0.000 -17.570 -8.665) 19.590 9.602 ( 0.000 -14.762 10.838) 18.313 10.394 ( 0.000 7.374 -5.915) 9.453 10.609 ( 0.000 4.860 4.595) 6.689 11.111 ( 0.000 0.657 -3.072) 3.142 11.171 ( 0.000 -1.767 -0.617) 1.872 11.782 ( 0.000 -1.196 -19.577) 19.614 12.135 ( 0.000 -0.236 -13.176) 13.178 12.643 ( 0.000 1.400 20.206) 20.254 12.815 ( 0.000 4.692 17.081) 17.714 13.895 ( -0.000 -11.370 -0.223) 11.373 13.956 ( 0.000 -15.695 2.470) 15.888 15.161 ( 0.000 2.929 -12.561) 12.898 15.487 ( 0.000 0.118 1.166) 1.171 15.558 ( 0.000 -1.210 -17.088) 17.131 15.839 ( 0.000 -1.457 -4.522) 4.750 17.032 ( 0.000 1.825 5.266) 5.573 17.456 ( 0.000 -4.801 22.885) 23.383 19.036 ( 0.000 -0.013 0.755) 0.755 19.093 ( 0.000 1.161 2.678) 2.919 19.385 ( -0.000 -0.755 3.523) 3.603 19.386 ( 0.000 -0.093 4.225) 4.226 23.621 ( 0.000 5.278 -9.868) 11.191 23.707 ( -0.000 3.695 -6.211) 7.227 26.985 ( 0.000 -1.064 12.176) 12.222 27.027 ( -0.000 -1.595 13.631) 13.724 29.989 ( -0.000 -0.850 3.623) 3.722 29.991 ( 0.000 -1.382 3.287) 3.565 30.381 ( -0.000 -22.399 -6.425) 23.302 30.539 ( 0.000 -27.647 0.163) 27.648 32.548 ( 0.000 -2.957 -4.246) 5.174 32.581 ( -0.000 -3.444 -2.826) 4.455 34.542 ( 0.000 -6.428 -1.466) 6.593 34.582 ( -0.000 -6.747 0.519) 6.767 36.618 ( -0.000 21.442 -12.404) 24.771 36.769 ( 0.000 15.893 -5.600) 16.851======================= Grid point 75 (31/126) =======================q-point: ( 0.00 0.36 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( 0.000 7.973 32.888) 33.840 2.652 ( 0.000 -5.986 10.032) 11.682 2.781 ( 0.000 2.208 20.264) 20.384 2.878 ( 0.000 23.007 -10.723) 25.383 2.881 ( 0.000 32.586 6.749) 33.278 3.128 ( 0.000 12.128 0.232) 12.131 3.543 ( 0.000 27.106 6.833) 27.954 3.842 ( 0.000 -3.044 8.159) 8.708 4.126 ( 0.000 16.377 1.703) 16.465 4.623 ( 0.000 26.801 0.016) 26.801 5.578 ( 0.000 -7.535 0.133) 7.536 5.728 ( 0.000 -34.403 -1.013) 34.418 6.259 ( 0.000 -10.303 1.094) 10.361 6.368 ( 0.000 -23.998 -2.598) 24.138 7.810 ( 0.000 -5.920 -5.070) 7.795 7.857 ( 0.000 6.827 -7.315) 10.006 8.082 ( 0.000 1.547 4.371) 4.637 8.084 ( 0.000 -6.063 7.599) 9.721 9.206 ( 0.000 7.032 -5.565) 8.968 9.845 ( 0.000 -5.894 5.806) 8.273 10.146 ( 0.000 3.549 0.391) 3.570 10.817 ( 0.000 6.795 0.300) 6.802 10.831 ( 0.000 -7.637 -1.917) 7.874 11.340 ( 0.000 8.135 -1.304) 8.238 11.752 ( 0.000 -19.323 -8.732) 21.205 12.110 ( 0.000 1.763 -19.951) 20.029 12.742 ( 0.000 2.973 11.257) 11.643 12.965 ( 0.000 5.448 21.134) 21.825 13.261 ( 0.000 -9.272 2.609) 9.632 14.206 ( 0.000 -7.724 1.468) 7.862 14.995 ( 0.000 -4.286 -10.350) 11.203 15.340 ( 0.000 -6.733 -6.709) 9.505 15.536 ( 0.000 9.877 -12.288) 15.765 15.886 ( 0.000 11.834 0.563) 11.847 17.134 ( 0.000 -17.490 10.456) 20.378 17.530 ( 0.000 8.469 11.461) 14.251 18.771 ( 0.000 -4.815 2.554) 5.451 19.005 ( 0.000 7.902 5.939) 9.885 19.459 ( 0.000 -2.523 1.857) 3.133 19.522 ( 0.000 -2.020 3.006) 3.622 23.686 ( 0.000 3.102 -8.448) 8.999 23.791 ( 0.000 2.088 -8.695) 8.942 26.964 ( 0.000 0.029 9.430) 9.430 27.002 ( 0.000 -1.910 12.533) 12.678 29.745 ( 0.000 -1.257 -2.984) 3.237 29.992 ( 0.000 -1.269 5.575) 5.717 30.153 ( 0.000 5.674 4.867) 7.475 30.184 ( 0.000 -26.862 -4.498) 27.236 32.503 ( 0.000 4.490 -3.483) 5.682 32.616 ( 0.000 -4.573 -4.076) 6.126 34.135 ( 0.000 -6.517 0.544) 6.540 34.670 ( 0.000 -11.422 -2.023) 11.600 36.576 ( 0.000 17.055 -2.363) 17.218 37.388 ( 0.000 5.480 -8.255) 9.908======================= Grid point 76 (32/126) =======================q-point: ( 0.25 0.36 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.729 ( 10.357 8.909 26.216) 29.562 2.362 ( -18.775 22.273 3.436) 29.332 2.564 ( -5.979 10.871 13.593) 18.404 2.706 ( -10.430 25.710 11.202) 29.921 3.131 ( 6.176 8.305 -2.790) 10.719 3.355 ( 11.271 -0.321 9.643) 14.837 3.764 ( 16.445 24.767 0.961) 29.745 3.910 ( 5.762 0.634 4.772) 7.508 4.244 ( 13.612 19.045 2.395) 23.531 4.678 ( 6.162 24.975 0.634) 25.732 5.374 ( -18.565 -7.194 -0.385) 19.914 5.592 ( -13.733 -30.697 1.651) 33.669 6.168 ( -6.371 -16.496 -1.325) 17.733 6.307 ( -4.091 -22.626 1.729) 23.058 7.698 ( -4.764 3.400 -3.463) 6.800 7.744 ( -4.831 -4.793 0.320) 6.812 8.327 ( 19.265 -4.693 1.055) 19.856 8.407 ( 20.005 7.343 -1.311) 21.350 9.108 ( -10.037 0.708 -7.129) 12.331 9.557 ( -17.886 -6.657 8.574) 20.922 10.380 ( 13.403 4.946 -0.587) 14.298 10.776 ( -3.717 6.157 0.620) 7.219 10.895 ( 6.109 -7.596 -1.420) 9.851 11.257 ( -7.753 0.323 -1.007) 7.824 11.772 ( 2.181 -7.003 -12.803) 14.755 12.108 ( -0.713 -0.745 -16.794) 16.826 12.729 ( -1.264 3.840 14.024) 14.595 12.920 ( -2.970 3.696 19.613) 20.178 13.387 ( 11.782 -9.033 1.667) 14.939 14.035 ( -14.798 -8.852 1.003) 17.272 15.080 ( 6.409 -2.835 -11.037) 13.074 15.381 ( 2.003 -7.660 -5.100) 9.418 15.585 ( 4.798 9.759 -12.904) 16.876 15.901 ( 1.023 9.718 -1.526) 9.890 17.088 ( -3.609 -10.188 9.607) 14.461 17.429 ( -7.631 1.414 15.161) 17.032 18.893 ( 10.022 -2.650 1.769) 10.516 19.060 ( 4.594 5.916 5.066) 9.042 19.411 ( -4.167 -2.630 2.375) 5.470 19.467 ( -4.992 -1.418 3.596) 6.314 23.696 ( 0.910 3.271 -8.784) 9.417 23.779 ( -1.086 2.088 -8.193) 8.525 26.967 ( 0.265 -0.169 9.722) 9.727 27.000 ( -0.131 -1.625 11.888) 11.999 29.804 ( 5.311 -4.111 -3.145) 7.416 29.994 ( -0.469 -0.806 4.026) 4.132 30.135 ( -1.823 -5.626 1.977) 6.236 30.164 ( -1.236 -15.333 -0.026) 15.383 32.516 ( 1.154 3.799 -3.621) 5.374 32.595 ( -1.860 -2.493 -3.892) 4.982 34.212 ( 7.229 -7.360 0.165) 10.318 34.587 ( -7.636 -10.604 -1.529) 13.157 36.699 ( 11.348 15.286 -3.350) 19.330 37.271 ( -10.970 7.143 -7.269) 14.973======================= Grid point 77 (33/126) =======================q-point: (-0.50 0.36 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( -0.000 19.717 8.234) 21.367 2.157 ( 0.000 9.116 20.200) 22.162 2.518 ( 0.000 24.214 14.070) 28.005 2.548 ( -0.000 30.497 7.718) 31.458 3.193 ( 0.000 3.887 -2.941) 4.874 3.449 ( 0.000 -3.143 13.395) 13.759 3.962 ( -0.000 13.039 -0.710) 13.058 3.968 ( 0.000 10.389 0.551) 10.404 4.653 ( -0.000 30.361 0.142) 30.361 4.662 ( 0.000 28.380 0.978) 28.397 5.124 ( 0.000 -23.882 -1.006) 23.903 5.313 ( -0.000 -25.299 7.570) 26.407 6.098 ( 0.000 -21.418 -3.632) 21.724 6.261 ( -0.000 -22.026 5.004) 22.588 7.674 ( 0.000 -1.265 -0.213) 1.283 7.678 ( -0.000 -0.166 -1.159) 1.171 8.664 ( 0.000 3.654 -2.423) 4.384 8.665 ( -0.000 16.609 -3.790) 17.036 8.873 ( 0.000 -15.144 -8.231) 17.236 9.328 ( 0.000 -11.360 12.473) 16.871 10.551 ( -0.000 8.062 -3.846) 8.933 10.705 ( 0.000 4.757 3.353) 5.820 11.062 ( 0.000 -5.553 -0.943) 5.633 11.069 ( -0.000 -7.435 -1.069) 7.511 11.809 ( 0.000 3.560 -17.994) 18.343 12.090 ( 0.000 -3.841 -12.048) 12.646 12.709 ( 0.000 4.914 17.010) 17.705 12.888 ( 0.000 2.241 17.423) 17.567 13.692 ( -0.000 -10.534 0.671) 10.556 13.696 ( 0.000 -8.499 0.929) 8.550 15.163 ( 0.000 -1.296 -12.665) 12.731 15.390 ( -0.000 -7.790 -2.595) 8.211 15.662 ( 0.000 9.802 -13.874) 16.988 15.909 ( 0.000 5.787 -3.806) 6.926 17.042 ( 0.000 -0.140 8.175) 8.176 17.333 ( 0.000 -7.428 19.694) 21.049 19.052 ( -0.000 1.538 0.757) 1.714 19.110 ( 0.000 0.625 3.100) 3.163 19.362 ( -0.000 -1.483 3.759) 4.041 19.373 ( 0.000 -1.220 4.789) 4.942 23.710 ( 0.000 3.650 -9.587) 10.258 23.762 ( -0.000 1.873 -7.227) 7.466 26.971 ( 0.000 -0.412 10.128) 10.136 26.998 ( -0.000 -1.298 11.138) 11.214 29.908 ( -0.000 -7.379 -3.800) 8.300 29.950 ( 0.000 -4.639 0.638) 4.682 30.113 ( 0.000 -5.024 3.435) 6.086 30.149 ( 0.000 -10.984 2.427) 11.249 32.540 ( 0.000 1.653 -4.169) 4.485 32.562 ( -0.000 1.022 -3.302) 3.457 34.383 ( 0.000 -8.639 -1.337) 8.742 34.412 ( -0.000 -9.393 0.072) 9.393 36.954 ( -0.000 12.807 -6.813) 14.506 37.020 ( 0.000 9.585 -3.786) 10.305======================= Grid point 80 (34/126) =======================q-point: ( 0.00 0.45 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 0.000 2.990 34.110) 34.241 2.411 ( 0.000 -7.495 5.295) 9.177 2.880 ( 0.000 2.844 28.664) 28.805 3.156 ( 0.000 7.261 -2.612) 7.717 3.257 ( 0.000 0.161 -2.243) 2.248 3.564 ( 0.000 27.793 0.909) 27.808 3.850 ( 0.000 6.446 -2.311) 6.848 4.208 ( 0.000 -6.942 3.593) 7.817 4.238 ( 0.000 34.877 6.877) 35.549 4.999 ( 0.000 10.173 -0.136) 10.173 5.015 ( 0.000 -35.810 -0.317) 35.811 5.403 ( 0.000 -7.763 2.495) 8.154 6.020 ( 0.000 -9.364 -2.434) 9.675 6.136 ( 0.000 -2.518 -0.225) 2.528 7.709 ( 0.000 -3.167 -0.706) 3.245 7.881 ( 0.000 -1.523 0.684) 1.670 8.021 ( 0.000 -1.121 4.703) 4.834 8.156 ( 0.000 3.766 -2.751) 4.664 9.277 ( 0.000 0.127 -14.665) 14.666 9.842 ( 0.000 3.301 13.439) 13.839 10.196 ( 0.000 1.370 0.562) 1.481 10.724 ( 0.000 -2.906 -1.506) 3.273 10.936 ( 0.000 4.886 -1.635) 5.153 11.397 ( 0.000 -13.141 -3.547) 13.612 11.453 ( 0.000 3.011 -1.610) 3.414 12.133 ( 0.000 0.545 -21.869) 21.876 12.795 ( 0.000 1.748 8.225) 8.409 13.050 ( 0.000 2.565 23.424) 23.564 13.124 ( 0.000 -3.893 2.916) 4.864 14.077 ( 0.000 -4.033 -0.415) 4.055 14.941 ( 0.000 -1.268 -7.595) 7.700 15.251 ( 0.000 -2.283 -10.075) 10.330 15.694 ( 0.000 4.591 -11.071) 11.985 16.135 ( 0.000 11.216 -5.745) 12.601 16.797 ( 0.000 -13.739 15.825) 20.957 17.644 ( 0.000 2.957 11.839) 12.202 18.705 ( 0.000 -1.739 2.633) 3.155 19.153 ( 0.000 6.112 6.182) 8.693 19.382 ( 0.000 -4.246 1.506) 4.505 19.490 ( 0.000 -0.965 3.565) 3.693 23.727 ( 0.000 1.036 -8.633) 8.695 23.820 ( 0.000 0.767 -8.643) 8.677 26.965 ( 0.000 0.021 9.317) 9.317 26.979 ( 0.000 -0.507 9.960) 9.973 29.726 ( 0.000 -0.543 -2.612) 2.668 29.816 ( 0.000 -9.109 -2.140) 9.357 29.985 ( 0.000 -0.457 3.761) 3.789 30.237 ( 0.000 2.354 4.547) 5.120 32.553 ( 0.000 -1.661 -4.155) 4.475 32.590 ( 0.000 3.015 -3.751) 4.813 34.041 ( 0.000 -2.594 0.363) 2.619 34.485 ( 0.000 -5.687 -1.554) 5.896 36.806 ( 0.000 5.947 -1.590) 6.156 37.461 ( 0.000 1.859 -5.490) 5.796======================= Grid point 81 (35/126) =======================q-point: ( 0.25 0.45 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 13.596 3.460 26.980) 30.410 2.609 ( 8.295 4.523 6.006) 11.195 2.665 ( -9.023 2.218 17.633) 19.932 3.161 ( -0.671 11.433 0.368) 11.459 3.293 ( 1.088 -0.999 4.585) 4.818 3.435 ( -8.716 17.926 5.953) 20.803 3.942 ( 6.373 4.187 0.443) 7.638 4.144 ( -2.603 0.563 1.895) 3.268 4.496 ( 18.507 14.163 4.525) 23.739 4.955 ( -3.184 1.820 -1.107) 3.831 5.058 ( 3.553 -19.060 0.377) 19.392 5.385 ( -2.467 6.309 1.792) 7.007 5.898 ( -14.848 -8.801 -1.251) 17.306 5.934 ( -11.228 -12.576 0.575) 16.869 7.690 ( -1.062 -0.808 -0.126) 1.341 7.749 ( -6.538 1.398 -2.351) 7.087 8.201 ( 18.680 -4.824 4.494) 19.809 8.529 ( 25.049 3.692 -2.302) 25.424 9.083 ( -17.795 -2.441 -11.786) 21.483 9.541 ( -20.632 2.354 9.071) 22.661 10.468 ( 17.005 3.271 2.264) 17.464 10.768 ( 4.359 -3.915 -1.555) 6.062 10.897 ( -3.825 5.252 -1.003) 6.574 11.158 ( -12.883 -7.527 0.153) 14.921 11.698 ( 13.145 -0.813 -7.714) 15.263 12.099 ( -3.722 -0.219 -19.947) 20.293 12.801 ( 0.588 2.489 10.719) 11.019 12.962 ( -5.429 0.574 20.999) 21.697 13.268 ( 11.552 -2.844 2.496) 12.156 13.901 ( -15.037 -3.929 -0.590) 15.554 15.045 ( 7.993 -0.719 -7.828) 11.211 15.266 ( 0.341 -3.289 -8.923) 9.516 15.748 ( 5.456 4.967 -10.788) 13.070 16.084 ( -5.146 7.055 -7.275) 11.366 16.871 ( 7.716 -8.511 16.031) 19.722 17.460 ( -15.365 0.963 12.918) 20.097 18.856 ( 12.261 -0.982 2.384) 12.529 19.187 ( 2.289 6.353 5.101) 8.463 19.330 ( -4.305 -5.148 2.353) 7.111 19.444 ( -4.258 -0.691 4.036) 5.908 23.740 ( 1.214 1.123 -8.648) 8.805 23.807 ( -1.246 0.719 -8.553) 8.673 26.967 ( 0.145 0.062 9.324) 9.325 26.979 ( -0.054 -0.605 9.837) 9.856 29.750 ( 2.210 -1.281 -3.099) 4.016 29.834 ( 0.731 -8.074 -3.909) 9.001 29.990 ( 1.497 -0.240 5.678) 5.877 30.187 ( -4.681 1.220 4.814) 6.825 32.566 ( 1.102 -0.430 -4.139) 4.305 32.593 ( 0.156 2.626 -3.826) 4.644 34.101 ( 5.753 -3.191 0.120) 6.579 34.414 ( -6.555 -5.341 -1.203) 8.541 36.904 ( 9.179 5.319 -2.188) 10.832 37.366 ( -8.932 2.426 -4.907) 10.476======================= Grid point 82 (36/126) =======================q-point: (-0.50 0.45 0.08)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( -0.000 10.103 15.586) 18.574 2.267 ( 0.000 1.335 18.553) 18.601 2.956 ( 0.000 17.873 5.936) 18.833 3.050 ( -0.000 14.274 4.807) 15.062 3.282 ( 0.000 4.880 2.175) 5.343 3.350 ( 0.000 -4.574 10.619) 11.562 4.046 ( 0.000 -1.196 1.312) 1.775 4.086 ( -0.000 -2.019 3.122) 3.718 4.799 ( -0.000 -4.170 -0.117) 4.172 4.865 ( 0.000 -10.319 2.802) 10.693 5.192 ( -0.000 21.385 -1.473) 21.435 5.248 ( 0.000 21.490 1.067) 21.516 5.688 ( 0.000 -18.238 -2.100) 18.359 5.805 ( -0.000 -23.057 3.625) 23.340 7.678 ( -0.000 1.092 -0.816) 1.363 7.688 ( 0.000 0.404 -0.818) 0.912 8.641 ( 0.000 -3.382 -3.674) 4.994 8.649 ( -0.000 -5.829 -4.075) 7.112 8.967 ( -0.000 12.706 -1.714) 12.821 9.160 ( 0.000 -7.372 6.701) 9.962 10.718 ( -0.000 9.045 -1.349) 9.145 10.801 ( 0.000 5.165 2.104) 5.577 10.906 ( 0.000 -9.475 0.087) 9.475 10.920 ( -0.000 -6.990 0.217) 6.993 11.900 ( 0.000 5.140 -15.649) 16.472 12.001 ( 0.000 -4.954 -13.300) 14.193 12.814 ( -0.000 5.136 15.997) 16.801 12.891 ( 0.000 -2.089 17.058) 17.185 13.556 ( -0.000 -2.988 -0.343) 3.007 13.570 ( 0.000 -3.972 0.445) 3.997 15.164 ( 0.000 1.912 -9.849) 10.033 15.245 ( -0.000 -6.128 -6.144) 8.678 15.865 ( 0.000 9.135 -11.311) 14.539 15.972 ( 0.000 -0.872 -7.563) 7.613 17.064 ( 0.000 3.269 12.918) 13.326 17.178 ( -0.000 -7.583 16.881) 18.506 19.090 ( -0.000 2.015 1.382) 2.443 19.115 ( 0.000 -0.335 2.411) 2.434 19.336 ( -0.000 -0.685 4.738) 4.787 19.344 ( 0.000 -1.338 5.270) 5.437 23.765 ( 0.000 1.806 -8.965) 9.145 23.782 ( -0.000 0.074 -8.161) 8.161 26.969 ( 0.000 0.163 9.348) 9.349 26.978 ( -0.000 -0.762 9.698) 9.728 29.793 ( -0.000 -2.625 -4.755) 5.431 29.821 ( 0.000 -5.258 -3.330) 6.224 30.069 ( 0.000 -0.445 5.542) 5.560 30.074 ( -0.000 -0.656 5.955) 5.991 32.584 ( 0.000 1.899 -4.161) 4.574 32.592 ( 0.000 1.127 -3.865) 4.026 34.247 ( 0.000 -3.864 -0.749) 3.936 34.258 ( -0.000 -4.926 -0.231) 4.931 37.128 ( -0.000 4.772 -3.957) 6.200 37.145 ( 0.000 2.921 -3.145) 4.293======================= Grid point 110 (37/126) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.506 ( 0.000 0.000 19.794) 19.794 0.821 ( 0.000 0.000 18.341) 18.341 1.228 ( 0.000 0.000 17.752) 17.752 1.957 ( 0.000 0.000 5.211) 5.211 2.350 ( 0.000 0.000 1.323) 1.323 2.422 ( 0.000 0.000 10.041) 10.041 2.731 ( 0.000 0.000 48.375) 48.375 3.041 ( 0.000 0.000 -7.616) 7.616 4.246 ( 0.000 0.000 -4.389) 4.389 4.598 ( 0.000 0.000 29.241) 29.241 5.877 ( 0.000 0.000 8.144) 8.144 6.969 ( 0.000 0.000 -0.511) 0.511 7.144 ( 0.000 0.000 4.960) 4.960 7.211 ( 0.000 0.000 2.353) 2.353 7.361 ( 0.000 0.000 6.771) 6.771 7.889 ( 0.000 0.000 -7.703) 7.703 8.160 ( 0.000 0.000 0.054) 0.054 8.775 ( 0.000 0.000 -9.873) 9.873 9.694 ( 0.000 0.000 -4.487) 4.487 9.799 ( 0.000 0.000 -1.270) 1.270 9.950 ( 0.000 0.000 3.980) 3.980 10.580 ( 0.000 0.000 0.810) 0.810 10.696 ( 0.000 0.000 3.825) 3.825 11.309 ( 0.000 0.000 -6.259) 6.259 11.689 ( 0.000 0.000 -5.635) 5.635 11.700 ( 0.000 0.000 -12.200) 12.200 13.097 ( 0.000 0.000 3.742) 3.742 13.271 ( 0.000 0.000 9.404) 9.404 13.768 ( 0.000 0.000 -4.149) 4.149 14.121 ( 0.000 0.000 1.376) 1.376 15.060 ( 0.000 0.000 -5.633) 5.633 15.332 ( 0.000 0.000 -25.334) 25.334 15.398 ( 0.000 0.000 -11.306) 11.306 15.951 ( 0.000 0.000 -14.835) 14.835 17.063 ( 0.000 0.000 23.575) 23.575 18.486 ( 0.000 0.000 2.420) 2.420 18.650 ( 0.000 0.000 0.649) 0.649 19.426 ( 0.000 0.000 1.558) 1.558 19.599 ( 0.000 0.000 13.604) 13.604 19.810 ( 0.000 0.000 19.425) 19.425 23.173 ( 0.000 0.000 -12.290) 12.290 23.234 ( 0.000 0.000 -11.091) 11.091 27.247 ( 0.000 0.000 17.168) 17.168 29.567 ( 0.000 0.000 -7.070) 7.070 29.735 ( 0.000 0.000 2.963) 2.963 30.111 ( 0.000 0.000 10.094) 10.094 30.182 ( 0.000 0.000 6.125) 6.125 32.653 ( 0.000 0.000 -10.839) 10.839 32.895 ( 0.000 0.000 -6.585) 6.585 33.395 ( 0.000 0.000 -29.601) 29.601 34.220 ( 0.000 0.000 -0.629) 0.629 34.250 ( 0.000 0.000 -0.368) 0.368 34.606 ( 0.000 0.000 2.903) 2.903 34.814 ( 0.000 0.000 0.053) 0.053======================= Grid point 111 (38/126) =======================q-point: ( 0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 19.120 0.000 1.334) 19.167 0.976 ( 12.800 0.000 13.487) 18.594 1.587 ( 34.425 0.000 15.924) 37.930 2.009 ( 2.716 0.000 3.030) 4.069 2.241 ( -6.021 0.000 11.130) 12.654 2.256 ( -21.962 0.000 21.575) 30.787 2.366 ( -5.451 0.000 5.982) 8.093 3.493 ( 5.206 0.000 21.430) 22.053 3.821 ( -16.809 0.000 2.811) 17.042 4.491 ( -10.586 0.000 28.790) 30.675 6.252 ( 29.421 0.000 -1.621) 29.466 6.972 ( 1.015 0.000 -0.342) 1.071 7.116 ( -4.911 0.000 1.319) 5.085 7.284 ( 8.397 0.000 0.689) 8.425 7.588 ( -21.581 0.000 -7.486) 22.843 7.603 ( 17.650 0.000 9.396) 19.995 8.055 ( -8.555 0.000 0.178) 8.557 8.629 ( -16.167 0.000 1.008) 16.198 9.709 ( 1.248 0.000 -4.137) 4.321 9.754 ( -1.271 0.000 -2.887) 3.154 10.221 ( 21.628 0.000 -1.347) 21.670 10.607 ( 2.228 0.000 1.402) 2.632 10.682 ( -1.277 0.000 3.586) 3.807 11.135 ( -16.205 0.000 -6.103) 17.316 11.696 ( 1.640 0.000 -7.548) 7.724 11.724 ( 1.645 0.000 -12.824) 12.929 12.961 ( -5.023 0.000 12.492) 13.464 13.152 ( -9.643 0.000 11.729) 15.184 14.154 ( 23.872 0.000 -16.500) 29.019 14.251 ( 10.484 0.000 -0.829) 10.516 14.999 ( -4.801 0.000 -6.132) 7.788 15.167 ( -9.829 0.000 -20.301) 22.555 15.575 ( 10.522 0.000 -15.969) 19.124 15.908 ( -4.352 0.000 -15.069) 15.685 17.168 ( 10.649 0.000 22.917) 25.270 18.035 ( -29.037 0.000 10.778) 30.972 18.910 ( 13.886 0.000 3.521) 14.326 19.358 ( -6.650 0.000 2.184) 6.999 19.601 ( 0.292 0.000 14.079) 14.082 19.706 ( -6.509 0.000 19.836) 20.876 23.195 ( 1.600 0.000 -12.256) 12.360 23.232 ( -0.241 0.000 -11.175) 11.177 27.315 ( 6.997 0.000 19.536) 20.751 28.171 ( -47.789 0.000 31.026) 56.977 30.095 ( 1.706 0.000 5.277) 5.546 30.169 ( -1.285 0.000 6.127) 6.260 31.536 ( 73.957 0.000 -44.354) 86.237 32.650 ( -0.870 0.000 -13.503) 13.531 32.892 ( 0.222 0.000 -7.001) 7.004 33.272 ( -12.084 0.000 -30.153) 32.484 34.213 ( -0.487 0.000 -0.144) 0.508 34.232 ( -1.395 0.000 0.100) 1.399 34.646 ( 3.521 0.000 2.085) 4.092 34.790 ( -2.329 0.000 0.239) 2.342======================= Grid point 112 (39/126) =======================q-point: (-0.50 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.145 ( -1.505 0.000 5.306) 5.515 1.145 ( 1.505 0.000 5.306) 5.515 1.891 ( -0.197 0.000 5.888) 5.891 1.891 ( 0.197 0.000 5.888) 5.891 2.221 ( -6.387 0.000 8.117) 10.328 2.221 ( 6.387 0.000 8.117) 10.328 2.725 ( -47.258 0.000 17.069) 50.247 2.725 ( 47.258 0.000 17.069) 50.247 4.171 ( -15.800 0.000 25.058) 29.624 4.171 ( 15.800 0.000 25.058) 29.624 6.871 ( -25.371 0.000 -10.515) 27.464 6.871 ( 25.371 0.000 -10.515) 27.464 7.048 ( -0.037 0.000 -0.000) 0.037 7.048 ( 0.037 0.000 -0.000) 0.037 7.663 ( -9.108 0.000 4.707) 10.252 7.663 ( 9.108 0.000 4.707) 10.252 8.189 ( -22.685 0.000 6.917) 23.716 8.189 ( 22.685 0.000 6.917) 23.716 9.735 ( -0.150 0.000 -3.635) 3.638 9.735 ( 0.150 0.000 -3.635) 3.638 10.640 ( -1.616 0.000 1.875) 2.475 10.640 ( 1.616 0.000 1.875) 2.475 10.718 ( -19.435 0.000 -4.490) 19.947 10.718 ( 19.435 0.000 -4.490) 19.947 11.735 ( -0.135 0.000 -11.894) 11.895 11.735 ( 0.135 0.000 -11.894) 11.895 12.976 ( -5.345 0.000 14.493) 15.448 12.976 ( 5.345 0.000 14.493) 15.448 14.411 ( -0.067 0.000 -9.085) 9.086 14.411 ( 0.067 0.000 -9.085) 9.086 14.984 ( -1.914 0.000 -15.196) 15.316 14.984 ( 1.914 0.000 -15.196) 15.316 15.775 ( -3.915 0.000 -15.632) 16.115 15.775 ( 3.915 0.000 -15.632) 16.115 17.499 ( -11.547 0.000 19.894) 23.002 17.499 ( 11.547 0.000 19.894) 23.002 19.170 ( -11.580 0.000 3.562) 12.115 19.170 ( 11.580 0.000 3.562) 12.115 19.621 ( -1.355 0.000 16.156) 16.212 19.621 ( 1.355 0.000 16.156) 16.212 23.222 ( -0.123 0.000 -11.594) 11.595 23.222 ( 0.123 0.000 -11.594) 11.595 27.556 ( -18.210 0.000 26.176) 31.887 27.556 ( 18.210 0.000 26.176) 31.887 30.134 ( -2.011 0.000 5.942) 6.273 30.134 ( 2.011 0.000 5.942) 6.273 32.500 ( -10.640 0.000 -34.093) 35.715 32.500 ( 10.640 0.000 -34.093) 35.715 32.976 ( -4.062 0.000 -17.833) 18.290 32.976 ( 4.062 0.000 -17.833) 18.290 34.211 ( -0.003 0.000 0.354) 0.354 34.211 ( 0.003 0.000 0.354) 0.354 34.725 ( -3.820 0.000 0.916) 3.929 34.725 ( 3.820 0.000 0.916) 3.929======================= Grid point 115 (40/126) =======================q-point: ( 0.00 0.09 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( 0.000 27.019 15.825) 31.313 1.025 ( 0.000 17.684 10.069) 20.350 1.388 ( 0.000 15.843 18.424) 24.299 2.266 ( 0.000 28.343 4.197) 28.652 2.439 ( 0.000 2.206 10.167) 10.404 2.593 ( 0.000 22.426 4.435) 22.860 2.845 ( 0.000 11.456 43.667) 45.145 3.061 ( 0.000 1.958 -6.572) 6.858 4.090 ( 0.000 -14.905 -2.654) 15.139 4.570 ( 0.000 -2.776 28.773) 28.906 5.854 ( 0.000 -2.577 6.740) 7.216 6.907 ( 0.000 -6.150 -0.541) 6.174 7.116 ( 0.000 -0.104 0.734) 0.741 7.135 ( 0.000 -8.087 1.769) 8.278 7.506 ( 0.000 8.298 5.669) 10.050 7.798 ( 0.000 -5.763 -5.068) 7.674 8.075 ( 0.000 -7.566 -2.762) 8.054 8.737 ( 0.000 -4.385 -5.574) 7.092 9.543 ( 0.000 -11.289 0.889) 11.324 9.838 ( 0.000 3.888 -1.337) 4.111 10.070 ( 0.000 7.504 -1.973) 7.759 10.554 ( 0.000 -1.815 2.038) 2.729 10.749 ( 0.000 5.173 2.551) 5.767 11.303 ( 0.000 -2.303 -7.787) 8.120 11.680 ( 0.000 0.371 -5.900) 5.912 11.738 ( 0.000 3.382 -12.837) 13.275 13.059 ( 0.000 -2.207 6.764) 7.115 13.232 ( 0.000 -3.922 10.077) 10.813 13.742 ( 0.000 -2.681 -3.062) 4.070 14.195 ( 0.000 6.631 1.461) 6.790 15.095 ( 0.000 2.862 -6.299) 6.918 15.270 ( 0.000 -11.245 -12.157) 16.560 15.357 ( 0.000 1.856 -23.370) 23.444 15.882 ( 0.000 -7.659 -12.887) 14.991 17.132 ( 0.000 7.348 21.567) 22.784 18.457 ( 0.000 -17.578 11.119) 20.800 18.592 ( 0.000 9.451 2.995) 9.915 19.304 ( 0.000 -10.925 5.444) 12.206 19.588 ( 0.000 -0.941 13.017) 13.051 19.717 ( 0.000 -4.122 16.300) 16.814 23.208 ( 0.000 3.315 -12.765) 13.189 23.312 ( 0.000 5.971 -13.904) 15.132 27.242 ( 0.000 -0.459 17.017) 17.024 28.804 ( 0.000 -59.167 34.545) 68.513 29.587 ( 0.000 1.837 -7.392) 7.617 30.113 ( 0.000 0.299 10.485) 10.490 30.181 ( 0.000 -0.750 6.295) 6.340 32.567 ( 0.000 -7.419 -9.535) 12.081 32.727 ( 0.000 -52.792 -16.574) 55.332 32.846 ( 0.000 -4.080 -7.182) 8.260 34.550 ( 0.000 44.351 -10.635) 45.608 34.564 ( 0.000 -4.001 2.589) 4.766 34.866 ( 0.000 3.826 -1.182) 4.005 35.445 ( 0.000 61.048 -30.055) 68.046======================= Grid point 116 (41/126) =======================q-point: ( 0.25 0.09 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( 14.391 6.161 10.925) 19.090 1.157 ( 7.238 14.230 5.000) 16.730 1.799 ( 25.688 18.567 12.088) 33.922 2.239 ( -8.407 3.080 15.281) 17.711 2.296 ( -4.878 19.384 5.991) 20.866 2.395 ( -8.051 18.203 16.147) 25.630 2.624 ( -4.327 23.855 4.457) 24.651 3.482 ( 5.004 -1.213 20.860) 21.486 3.782 ( -12.114 -3.782 1.614) 12.792 4.485 ( -8.368 -0.690 29.018) 30.208 6.143 ( 24.626 -10.177 1.085) 26.668 6.930 ( 2.447 -4.947 -0.755) 5.571 7.025 ( -6.717 -8.871 0.333) 11.132 7.303 ( 3.662 0.520 -5.212) 6.391 7.396 ( -10.177 -11.307 -0.791) 15.233 7.768 ( 12.169 9.575 6.889) 16.948 8.074 ( -6.225 1.621 -1.008) 6.511 8.546 ( -16.675 -7.725 1.834) 18.468 9.580 ( 2.736 -9.805 -3.909) 10.904 9.824 ( -0.676 4.857 -2.166) 5.361 10.239 ( 14.043 0.269 -1.667) 14.144 10.575 ( 1.582 -1.978 2.293) 3.417 10.755 ( 0.985 6.612 1.814) 6.927 11.160 ( -12.982 1.384 -6.895) 14.764 11.654 ( -1.121 -2.490 -9.878) 10.248 11.774 ( 2.466 3.550 -11.454) 12.243 12.967 ( -3.768 0.944 12.355) 12.951 13.137 ( -7.930 -1.624 12.487) 14.881 14.040 ( 19.738 -9.077 -10.251) 24.022 14.299 ( 8.875 3.453 -1.058) 9.582 15.003 ( -8.814 -0.497 -9.045) 12.639 15.203 ( -3.684 2.549 -14.988) 15.643 15.457 ( 6.935 -9.058 -18.344) 21.602 15.871 ( -1.211 -5.033 -13.771) 14.711 17.173 ( 3.735 2.248 21.373) 21.813 18.085 ( -20.056 2.012 15.210) 25.252 18.886 ( 14.972 -0.978 4.021) 15.533 19.270 ( -3.564 -7.809 4.154) 9.536 19.581 ( -0.562 -1.579 13.280) 13.385 19.661 ( -4.247 -2.570 16.294) 17.033 23.207 ( -0.031 2.469 -12.709) 12.947 23.317 ( 0.380 5.973 -13.029) 14.338 27.305 ( 6.367 -1.008 19.219) 20.271 28.017 ( -36.066 -14.111 32.676) 50.672 30.079 ( 3.190 -1.917 3.578) 5.163 30.161 ( -1.150 -0.670 6.350) 6.488 30.791 ( 61.954 -43.828 -14.259) 77.217 32.457 ( -12.625 -32.434 -17.108) 38.782 32.718 ( 0.588 -28.924 -10.546) 30.793 32.819 ( -2.450 -5.555 -7.095) 9.338 34.492 ( -2.756 29.020 -5.526) 29.670 34.602 ( 1.239 6.007 -0.332) 6.142 34.888 ( 1.830 14.130 -5.169) 15.156 35.385 ( -4.628 55.001 -23.170) 59.862======================= Grid point 117 (42/126) =======================q-point: (-0.50 0.09 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.197 ( -0.000 2.197 6.541) 6.900 1.249 ( 0.000 10.634 0.713) 10.658 1.745 ( 0.000 1.504 8.927) 9.053 2.129 ( 0.000 8.502 15.510) 17.688 2.459 ( -0.000 25.428 4.324) 25.793 2.492 ( 0.000 23.648 7.465) 24.799 2.815 ( -0.000 13.702 8.210) 15.973 2.876 ( 0.000 10.088 18.305) 20.901 3.972 ( 0.000 -9.965 17.393) 20.045 4.323 ( -0.000 5.648 30.859) 31.371 6.667 ( 0.000 -13.092 -5.005) 14.016 6.729 ( -0.000 -19.766 -5.219) 20.444 7.016 ( -0.000 0.734 -3.374) 3.453 7.018 ( 0.000 -6.752 -1.073) 6.837 7.631 ( 0.000 4.007 3.093) 5.062 7.850 ( -0.000 7.470 0.817) 7.515 8.082 ( 0.000 -7.192 3.426) 7.966 8.220 ( -0.000 2.141 9.667) 9.901 9.614 ( 0.000 -8.858 -6.017) 10.708 9.817 ( 0.000 4.960 -2.332) 5.480 10.448 ( 0.000 -11.072 0.394) 11.079 10.596 ( 0.000 -2.047 1.915) 2.803 10.828 ( 0.000 7.866 -3.058) 8.439 10.900 ( -0.000 10.062 -4.207) 10.907 11.647 ( 0.000 -5.184 -12.739) 13.753 11.805 ( 0.000 3.322 -11.464) 11.936 12.966 ( -0.000 0.831 13.793) 13.817 13.006 ( 0.000 1.065 15.342) 15.378 14.261 ( -0.000 -8.647 -7.359) 11.354 14.452 ( 0.000 -2.641 -6.758) 7.256 14.851 ( 0.000 -3.605 -12.525) 13.033 15.162 ( 0.000 8.666 -13.721) 16.228 15.549 ( 0.000 -13.140 -18.117) 22.380 15.848 ( 0.000 -1.583 -14.295) 14.383 17.233 ( 0.000 -6.766 20.756) 21.831 17.845 ( 0.000 14.074 19.527) 24.071 19.137 ( -0.000 -2.541 2.303) 3.429 19.143 ( 0.000 -2.715 3.988) 4.824 19.573 ( 0.000 -2.679 13.717) 13.976 19.608 ( 0.000 -2.154 16.408) 16.549 23.207 ( 0.000 1.805 -12.651) 12.780 23.321 ( 0.000 5.971 -12.324) 13.694 27.502 ( 0.000 -4.229 25.472) 25.821 27.537 ( -0.000 -2.731 25.472) 25.618 30.125 ( -0.000 -0.863 5.570) 5.636 30.129 ( 0.000 -0.576 6.179) 6.206 31.602 ( -0.000 -51.415 -23.493) 56.528 32.166 ( 0.000 -48.895 -21.695) 53.492 32.752 ( 0.000 -15.207 -7.622) 17.010 32.768 ( -0.000 -7.728 -7.153) 10.531 34.462 ( 0.000 29.582 -5.114) 30.021 34.613 ( 0.000 1.203 1.116) 1.641 34.913 ( 0.000 24.563 -9.536) 26.349 35.326 ( 0.000 47.808 -16.314) 50.515======================= Grid point 120 (43/126) =======================q-point: ( 0.00 0.18 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( 0.000 22.852 4.409) 23.273 1.453 ( 0.000 34.942 12.819) 37.219 1.804 ( 0.000 24.128 16.218) 29.072 2.541 ( 0.000 9.069 8.887) 12.697 2.933 ( 0.000 33.840 5.183) 34.235 3.025 ( 0.000 19.171 36.177) 40.943 3.118 ( 0.000 4.063 -3.601) 5.429 3.271 ( 0.000 31.561 6.528) 32.230 3.714 ( 0.000 -20.761 1.047) 20.788 4.486 ( 0.000 -5.915 27.545) 28.173 5.773 ( 0.000 -5.191 3.383) 6.196 6.717 ( 0.000 -13.984 -1.746) 14.093 6.887 ( 0.000 -15.945 2.723) 16.176 7.141 ( 0.000 -1.579 -1.412) 2.118 7.391 ( 0.000 -11.642 -10.592) 15.739 7.914 ( 0.000 -7.625 -5.720) 9.532 7.930 ( 0.000 14.030 7.969) 16.135 8.597 ( 0.000 -9.219 1.076) 9.282 9.314 ( 0.000 -11.063 3.294) 11.543 9.940 ( 0.000 5.980 -1.113) 6.083 10.132 ( 0.000 -2.447 -4.374) 5.012 10.569 ( 0.000 4.467 3.140) 5.460 10.881 ( 0.000 7.280 -0.523) 7.299 11.193 ( 0.000 -7.478 -5.622) 9.356 11.722 ( 0.000 2.986 -9.496) 9.954 11.802 ( 0.000 2.027 -13.914) 14.061 13.058 ( 0.000 2.500 9.623) 9.942 13.126 ( 0.000 -6.262 11.720) 13.288 13.658 ( 0.000 -5.842 -0.169) 5.845 14.341 ( 0.000 6.845 2.888) 7.429 15.025 ( 0.000 -12.185 -14.217) 18.724 15.123 ( 0.000 -0.869 -11.499) 11.532 15.424 ( 0.000 6.128 -14.122) 15.395 15.660 ( 0.000 -13.646 -10.413) 17.165 17.341 ( 0.000 12.804 18.457) 22.464 18.081 ( 0.000 -18.314 19.263) 26.579 18.801 ( 0.000 10.606 4.920) 11.691 19.098 ( 0.000 -8.996 4.825) 10.208 19.572 ( 0.000 -0.429 11.144) 11.153 19.679 ( 0.000 -0.856 10.571) 10.605 23.291 ( 0.000 4.729 -13.840) 14.626 23.420 ( 0.000 4.659 -15.612) 16.292 27.232 ( 0.000 -0.575 16.688) 16.698 27.933 ( 0.000 -29.768 35.852) 46.599 29.628 ( 0.000 1.970 -7.976) 8.215 30.133 ( 0.000 2.048 11.231) 11.416 30.159 ( 0.000 -1.396 6.435) 6.585 31.681 ( 0.000 -50.869 -10.424) 51.927 32.421 ( 0.000 -6.034 -7.532) 9.651 32.742 ( 0.000 -6.193 -7.494) 9.722 34.455 ( 0.000 -6.811 2.101) 7.127 34.906 ( 0.000 -0.890 -3.149) 3.273 35.379 ( 0.000 38.000 -9.311) 39.125 36.379 ( 0.000 34.267 -30.166) 45.653======================= Grid point 121 (44/126) =======================q-point: ( 0.25 0.18 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.220 ( -5.069 23.260 10.393) 25.975 1.512 ( 4.786 21.066 3.543) 21.891 2.218 ( -5.614 20.177 4.937) 21.517 2.288 ( 5.044 6.854 20.280) 21.993 2.674 ( -6.516 19.763 17.473) 27.172 3.011 ( 4.734 36.863 5.461) 37.565 3.216 ( -3.607 32.177 1.143) 32.398 3.448 ( 4.087 -1.576 18.140) 18.661 3.700 ( 2.657 -2.422 1.650) 3.956 4.458 ( -3.704 -2.335 28.590) 28.923 5.892 ( 13.549 -14.272 3.623) 20.009 6.704 ( -7.347 -20.076 -2.128) 21.484 6.789 ( -4.371 -12.802 0.860) 13.555 7.118 ( -13.130 -14.562 -2.313) 19.743 7.371 ( 15.139 4.376 -5.712) 16.762 7.912 ( 4.396 2.435 2.176) 5.477 8.137 ( 3.885 5.305 0.091) 6.576 8.382 ( -13.616 -6.237 3.393) 15.356 9.357 ( 2.350 -12.069 -2.506) 12.549 9.927 ( -0.807 3.755 0.724) 3.908 10.185 ( 4.174 -4.195 -3.388) 6.819 10.587 ( 1.364 3.444 2.690) 4.578 10.908 ( 2.782 7.745 -1.199) 8.316 11.150 ( -3.954 -2.393 -5.620) 7.276 11.615 ( -6.993 -1.498 -12.367) 14.286 11.845 ( 2.037 3.065 -11.897) 12.454 13.010 ( -2.287 3.239 12.448) 13.064 13.090 ( -3.866 -2.598 13.813) 14.577 13.842 ( 15.188 -10.497 -3.321) 18.759 14.354 ( -0.431 0.586 1.748) 1.893 14.950 ( -7.620 -3.983 -12.222) 14.943 15.176 ( 6.708 -6.169 -15.397) 17.891 15.392 ( -2.487 4.930 -12.424) 13.596 15.712 ( 3.217 -9.955 -12.934) 16.636 17.276 ( -5.084 7.059 18.245) 20.213 18.033 ( -3.186 -6.786 21.439) 22.712 18.926 ( 9.938 4.804 3.414) 11.554 19.118 ( 1.245 -6.541 3.317) 7.439 19.554 ( -1.546 -0.981 11.620) 11.763 19.630 ( -4.267 -0.927 11.854) 12.632 23.283 ( -0.602 4.663 -14.305) 15.058 23.426 ( 0.462 4.755 -14.405) 15.176 27.279 ( 4.745 -1.483 18.425) 19.084 27.706 ( -15.900 -15.176 30.555) 37.640 29.977 ( 16.108 -9.054 -5.918) 19.403 30.144 ( -1.321 -1.203 6.271) 6.520 30.274 ( 22.205 -8.993 5.948) 24.684 31.517 ( -15.716 -47.951 -10.074) 51.456 32.466 ( 4.058 -7.251 -7.260) 11.034 32.693 ( -4.431 -6.874 -7.234) 10.919 34.504 ( 4.612 -4.988 1.514) 6.960 34.803 ( -7.904 0.993 -1.499) 8.106 35.515 ( 10.767 37.025 -13.244) 40.770 36.262 ( -10.103 33.718 -24.679) 42.989======================= Grid point 122 (45/126) =======================q-point: (-0.50 0.18 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( 0.000 6.968 4.972) 8.560 1.549 ( 0.000 19.450 0.192) 19.450 1.990 ( -0.000 20.351 12.513) 23.890 2.255 ( 0.000 6.494 22.327) 23.252 3.019 ( -0.000 24.268 1.870) 24.340 3.069 ( 0.000 14.684 9.935) 17.729 3.114 ( -0.000 31.078 12.343) 33.439 3.252 ( 0.000 30.599 3.156) 30.761 3.818 ( 0.000 -3.924 7.359) 8.340 4.388 ( -0.000 0.970 33.967) 33.980 6.250 ( 0.000 -27.230 -1.052) 27.251 6.364 ( -0.000 -17.599 1.128) 17.635 6.799 ( -0.000 -15.027 -2.203) 15.188 6.966 ( 0.000 -6.310 0.574) 6.336 7.723 ( 0.000 0.522 -1.816) 1.890 7.863 ( -0.000 -4.690 0.927) 4.780 7.993 ( -0.000 3.022 -1.325) 3.300 8.347 ( 0.000 9.482 6.070) 11.259 9.379 ( 0.000 -14.442 -7.167) 16.123 9.919 ( -0.000 2.896 1.974) 3.505 10.240 ( 0.000 -7.387 -1.803) 7.604 10.604 ( 0.000 2.312 2.010) 3.063 10.969 ( 0.000 6.134 -3.003) 6.830 11.074 ( -0.000 6.730 -4.466) 8.077 11.532 ( 0.000 -6.159 -13.975) 15.272 11.866 ( 0.000 2.697 -11.420) 11.734 13.012 ( 0.000 -0.272 16.505) 16.508 13.013 ( -0.000 3.750 12.924) 13.457 14.085 ( -0.000 -9.133 -2.715) 9.528 14.292 ( 0.000 -12.773 -1.865) 12.909 14.853 ( 0.000 3.323 -11.330) 11.807 15.297 ( 0.000 -11.117 -20.995) 23.757 15.333 ( 0.000 8.669 -8.189) 11.925 15.746 ( 0.000 -7.368 -14.346) 16.128 17.211 ( 0.000 2.499 18.324) 18.494 17.997 ( 0.000 1.065 23.170) 23.194 19.085 ( -0.000 -2.279 1.266) 2.607 19.106 ( 0.000 -0.178 1.655) 1.664 19.533 ( 0.000 -1.390 11.222) 11.308 19.566 ( 0.000 -1.479 15.066) 15.139 23.276 ( 0.000 4.580 -14.613) 15.313 23.432 ( 0.000 4.836 -13.429) 14.273 27.404 ( 0.000 -5.168 23.381) 23.945 27.460 ( -0.000 -4.711 23.311) 23.782 30.101 ( -0.000 -1.509 4.881) 5.108 30.107 ( 0.000 -2.098 4.525) 4.987 30.760 ( -0.000 -32.453 -10.282) 34.043 31.192 ( 0.000 -42.674 -6.395) 43.150 32.546 ( 0.000 -7.793 -7.322) 10.692 32.608 ( -0.000 -7.780 -6.713) 10.275 34.603 ( 0.000 -2.242 -0.344) 2.268 34.668 ( -0.000 0.049 0.997) 0.998 35.674 ( 0.000 39.931 -19.896) 44.613 36.106 ( 0.000 31.010 -16.240) 35.005======================= Grid point 125 (46/126) =======================q-point: ( 0.00 0.27 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( 0.000 21.633 12.094) 24.784 2.184 ( 0.000 38.210 9.594) 39.396 2.265 ( 0.000 21.738 7.101) 22.868 2.814 ( 0.000 17.090 2.429) 17.262 3.208 ( 0.000 -18.864 11.138) 21.907 3.261 ( 0.000 12.616 2.661) 12.893 3.288 ( 0.000 8.900 33.217) 34.389 3.668 ( 0.000 31.911 4.334) 32.204 4.002 ( 0.000 34.929 1.123) 34.947 4.326 ( 0.000 -10.388 24.879) 26.961 5.673 ( 0.000 -4.513 0.092) 4.514 6.305 ( 0.000 -27.066 -3.014) 27.233 6.576 ( 0.000 -15.159 4.129) 15.711 6.814 ( 0.000 -24.889 -2.665) 25.032 7.436 ( 0.000 10.495 -12.741) 16.507 7.792 ( 0.000 -4.679 -5.970) 7.584 8.157 ( 0.000 6.784 7.286) 9.955 8.402 ( 0.000 -9.758 5.738) 11.320 9.143 ( 0.000 -5.487 0.832) 5.550 10.023 ( 0.000 -6.281 -0.372) 6.292 10.058 ( 0.000 5.614 -0.360) 5.625 10.697 ( 0.000 7.131 1.454) 7.278 10.923 ( 0.000 -5.860 -4.176) 7.196 11.144 ( 0.000 5.621 -2.730) 6.249 11.766 ( 0.000 1.139 -12.694) 12.745 11.776 ( 0.000 -5.497 -12.876) 14.000 13.013 ( 0.000 -4.440 12.455) 13.223 13.154 ( 0.000 6.810 11.477) 13.346 13.511 ( 0.000 -8.768 2.993) 9.265 14.396 ( 0.000 -2.798 4.486) 5.287 14.826 ( 0.000 -7.342 -16.019) 17.621 15.130 ( 0.000 4.273 -13.999) 14.637 15.384 ( 0.000 -13.549 -10.801) 17.327 15.594 ( 0.000 10.056 -8.869) 13.408 17.601 ( 0.000 12.665 17.281) 21.425 17.744 ( 0.000 -16.220 18.228) 24.400 18.944 ( 0.000 -6.805 3.538) 7.670 18.992 ( 0.000 8.773 7.423) 11.492 19.567 ( 0.000 -0.479 8.813) 8.826 19.661 ( 0.000 -1.074 9.258) 9.320 23.382 ( 0.000 4.199 -14.912) 15.492 23.497 ( 0.000 3.222 -15.973) 16.295 27.222 ( 0.000 -0.358 16.422) 16.426 27.521 ( 0.000 -14.007 26.746) 30.192 29.653 ( 0.000 0.462 -7.759) 7.773 30.127 ( 0.000 -1.921 5.411) 5.742 30.200 ( 0.000 4.628 11.185) 12.105 30.768 ( 0.000 -40.167 -5.583) 40.553 32.359 ( 0.000 -0.083 -6.517) 6.517 32.614 ( 0.000 -6.378 -7.593) 9.916 34.304 ( 0.000 -8.121 1.586) 8.275 34.814 ( 0.000 -8.091 -3.922) 8.992 36.043 ( 0.000 29.024 -5.858) 29.609 36.890 ( 0.000 19.203 -20.066) 27.774======================= Grid point 126 (47/126) =======================q-point: ( 0.25 0.27 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.756 ( -19.404 28.270 7.106) 35.017 1.956 ( 5.204 22.467 6.941) 24.084 2.429 ( -10.691 12.447 16.711) 23.420 2.659 ( -2.409 19.233 2.518) 19.546 3.068 ( 2.824 16.732 22.867) 28.475 3.421 ( 4.289 3.767 6.259) 8.471 3.559 ( 13.078 5.464 8.327) 16.438 3.742 ( 8.276 32.257 2.350) 33.385 3.999 ( 0.063 28.469 6.628) 29.231 4.393 ( 3.695 -2.289 22.579) 22.993 5.611 ( -1.804 -13.431 3.201) 13.925 6.211 ( -11.235 -28.234 -0.178) 30.388 6.491 ( -5.324 -17.278 -0.611) 18.090 6.781 ( -2.461 -19.641 2.192) 19.916 7.482 ( 7.137 6.372 -8.195) 12.598 7.858 ( -0.000 -6.036 -1.668) 6.262 8.210 ( 1.300 2.576 -1.042) 3.068 8.395 ( 5.218 4.996 3.500) 8.027 9.130 ( -2.555 -10.163 -2.296) 10.728 9.866 ( -6.259 -8.230 6.239) 12.076 10.212 ( 6.391 6.364 -4.478) 10.070 10.681 ( -1.258 5.247 0.882) 5.468 10.972 ( 4.660 -3.424 -3.592) 6.807 11.146 ( -0.019 4.406 -2.763) 5.200 11.579 ( -10.347 -2.641 -13.796) 17.446 11.873 ( 2.718 -0.606 -11.959) 12.279 13.018 ( -0.247 -1.948 15.207) 15.333 13.123 ( -2.074 5.706 11.813) 13.281 13.630 ( 11.748 -10.767 1.063) 15.971 14.272 ( -12.107 -8.634 3.232) 15.218 14.873 ( 3.281 -4.193 -14.933) 15.853 15.140 ( 2.633 5.039 -16.335) 17.296 15.431 ( 1.808 -8.457 -8.421) 12.071 15.614 ( 2.142 6.160 -11.797) 13.479 17.395 ( -11.222 3.474 16.778) 20.482 17.876 ( 5.293 -7.513 21.830) 23.686 18.986 ( 4.532 -2.280 2.753) 5.772 19.067 ( 5.207 4.217 4.214) 7.915 19.539 ( -2.250 -0.743 9.777) 10.061 19.614 ( -4.072 -0.718 10.672) 11.445 23.376 ( -0.426 4.508 -15.515) 16.162 23.503 ( 0.414 3.003 -15.054) 15.356 27.250 ( 2.747 -1.331 17.513) 17.777 27.457 ( -5.394 -9.903 24.411) 26.890 29.807 ( 12.501 -6.966 -8.116) 16.452 30.109 ( -1.879 -2.485 4.214) 5.241 30.239 ( 4.208 1.785 10.502) 11.454 30.683 ( -8.022 -35.216 -3.974) 36.336 32.384 ( 2.503 -0.966 -6.577) 7.104 32.567 ( -4.207 -5.501 -7.255) 10.030 34.375 ( 6.588 -7.727 0.797) 10.185 34.732 ( -7.316 -7.406 -2.664) 10.746 36.162 ( 10.621 27.978 -8.532) 31.119 36.780 ( -10.077 20.036 -17.291) 28.319======================= Grid point 127 (48/126) =======================q-point: (-0.50 0.27 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( 0.000 20.907 4.864) 21.465 2.005 ( 0.000 25.529 1.364) 25.566 2.420 ( -0.000 10.386 20.077) 22.604 2.454 ( 0.000 24.941 14.458) 28.829 3.208 ( 0.000 3.347 18.885) 19.179 3.427 ( -0.000 18.113 -0.865) 18.134 3.676 ( 0.000 15.047 3.398) 15.426 3.895 ( -0.000 28.511 6.167) 29.170 4.013 ( 0.000 29.333 -0.907) 29.347 4.390 ( -0.000 1.974 29.099) 29.166 5.689 ( 0.000 -28.628 2.086) 28.704 5.964 ( -0.000 -22.973 6.341) 23.832 6.444 ( -0.000 -20.193 -3.444) 20.485 6.752 ( 0.000 -15.458 5.293) 16.339 7.652 ( 0.000 -3.701 -4.621) 5.921 7.753 ( -0.000 -5.212 1.391) 5.394 8.213 ( 0.000 15.420 -5.705) 16.441 8.521 ( 0.000 6.907 -0.067) 6.907 9.070 ( 0.000 -15.911 -5.663) 16.889 9.806 ( 0.000 -11.800 10.220) 15.611 10.279 ( 0.000 8.688 -6.188) 10.666 10.665 ( 0.000 3.460 0.537) 3.501 11.058 ( 0.000 2.526 -1.781) 3.091 11.133 ( 0.000 -1.593 -3.365) 3.723 11.444 ( 0.000 -1.139 -15.172) 15.215 11.897 ( 0.000 0.000 -11.449) 11.449 13.008 ( 0.000 0.285 17.102) 17.105 13.100 ( 0.000 4.639 11.990) 12.856 13.900 ( -0.000 -9.465 0.325) 9.470 13.999 ( 0.000 -15.559 1.636) 15.645 14.911 ( 0.000 -0.166 -13.519) 13.520 15.192 ( 0.000 3.223 -19.392) 19.658 15.435 ( 0.000 -2.933 -5.915) 6.602 15.647 ( 0.000 1.764 -14.452) 14.559 17.269 ( 0.000 2.611 17.417) 17.612 17.924 ( 0.000 -7.083 24.170) 25.186 19.058 ( 0.000 -0.251 0.988) 1.019 19.130 ( 0.000 1.923 0.851) 2.103 19.512 ( 0.000 -0.880 10.428) 10.465 19.552 ( 0.000 -0.293 13.822) 13.825 23.371 ( 0.000 4.769 -15.994) 16.690 23.508 ( 0.000 2.824 -14.267) 14.544 27.311 ( 0.000 -4.088 20.434) 20.838 27.365 ( -0.000 -4.633 20.396) 20.915 29.995 ( -0.000 -10.449 -5.683) 11.894 30.056 ( 0.000 -3.805 1.679) 4.159 30.342 ( -0.000 -9.707 5.268) 11.044 30.531 ( 0.000 -24.065 0.642) 24.074 32.440 ( 0.000 -2.757 -6.888) 7.419 32.489 ( -0.000 -3.738 -6.682) 7.656 34.513 ( 0.000 -6.822 -1.453) 6.975 34.586 ( -0.000 -7.472 -0.054) 7.472 36.350 ( -0.000 28.282 -14.286) 31.685 36.598 ( 0.000 19.738 -11.329) 22.758======================= Grid point 130 (49/126) =======================q-point: ( 0.00 0.36 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.226 ( 0.000 11.517 25.748) 28.207 2.682 ( 0.000 19.932 -8.302) 21.592 2.779 ( 0.000 -10.985 6.077) 12.553 2.967 ( 0.000 30.400 7.100) 31.218 3.123 ( 0.000 14.286 0.909) 14.315 3.476 ( 0.000 7.504 40.508) 41.197 3.687 ( 0.000 28.430 6.898) 29.255 4.090 ( 0.000 -12.121 18.242) 21.901 4.177 ( 0.000 17.563 3.784) 17.966 4.627 ( 0.000 26.613 0.630) 26.620 5.573 ( 0.000 -9.003 -0.958) 9.053 5.714 ( 0.000 -29.174 0.069) 29.174 6.293 ( 0.000 -12.315 2.425) 12.552 6.314 ( 0.000 -23.612 -2.405) 23.734 7.670 ( 0.000 11.640 -11.970) 16.696 7.724 ( 0.000 -2.348 -3.684) 4.369 8.183 ( 0.000 -2.679 5.954) 6.529 8.234 ( 0.000 -6.833 7.716) 10.307 9.074 ( 0.000 -3.224 -7.880) 8.514 9.967 ( 0.000 1.944 6.043) 6.348 10.154 ( 0.000 3.993 0.421) 4.015 10.777 ( 0.000 -6.953 -3.643) 7.850 10.823 ( 0.000 5.274 0.185) 5.277 11.292 ( 0.000 7.376 -4.025) 8.403 11.582 ( 0.000 -13.115 -7.881) 15.301 11.766 ( 0.000 -0.964 -15.657) 15.687 12.965 ( 0.000 -0.608 10.537) 10.554 13.310 ( 0.000 8.395 14.066) 16.381 13.332 ( 0.000 -8.552 4.726) 9.771 14.248 ( 0.000 -10.255 2.720) 10.610 14.740 ( 0.000 -1.572 -15.557) 15.637 15.141 ( 0.000 -10.665 -13.478) 17.187 15.299 ( 0.000 10.927 -12.125) 16.322 15.791 ( 0.000 9.265 -9.425) 13.216 17.430 ( 0.000 -15.201 18.872) 24.232 17.819 ( 0.000 8.898 17.364) 19.511 18.828 ( 0.000 -4.869 2.928) 5.681 19.157 ( 0.000 8.110 8.584) 11.809 19.537 ( 0.000 -2.807 7.793) 8.283 19.637 ( 0.000 -1.201 9.809) 9.882 23.451 ( 0.000 2.686 -15.654) 15.883 23.550 ( 0.000 2.077 -16.183) 16.315 27.218 ( 0.000 -0.097 16.339) 16.339 27.325 ( 0.000 -6.612 20.017) 21.080 29.651 ( 0.000 -0.504 -6.888) 6.906 30.007 ( 0.000 -16.332 -8.292) 18.316 30.200 ( 0.000 -10.579 10.437) 14.861 30.301 ( 0.000 5.014 10.451) 11.592 32.406 ( 0.000 4.211 -6.493) 7.739 32.502 ( 0.000 -4.659 -7.634) 8.943 34.151 ( 0.000 -6.857 1.096) 6.944 34.616 ( 0.000 -10.793 -3.509) 11.349 36.517 ( 0.000 18.565 -3.464) 18.885 37.180 ( 0.000 10.615 -12.535) 16.426======================= Grid point 131 (50/126) =======================q-point: ( 0.25 0.36 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.198 ( -11.953 13.039 16.650) 24.292 2.376 ( -3.282 20.799 1.798) 21.133 2.761 ( -2.633 16.954 7.716) 18.812 2.996 ( -3.682 15.740 3.554) 16.551 3.219 ( 3.385 6.042 20.549) 21.684 3.644 ( 10.808 10.798 18.617) 24.083 3.794 ( 10.118 21.428 2.408) 23.819 4.089 ( -0.086 -7.955 15.362) 17.300 4.323 ( 14.346 20.036 6.930) 25.598 4.698 ( 6.712 23.869 1.573) 24.844 5.382 ( -16.264 -9.142 1.837) 18.747 5.631 ( -8.644 -28.679 2.213) 30.036 6.139 ( -9.492 -17.061 -1.506) 19.582 6.355 ( 1.127 -22.557 3.247) 22.817 7.606 ( -0.772 5.669 -6.057) 8.332 7.746 ( -2.864 -4.274 -0.313) 5.154 8.269 ( 12.256 1.739 -4.652) 13.224 8.458 ( 14.222 1.980 4.456) 15.035 8.966 ( -9.925 -6.861 -7.365) 14.135 9.727 ( -13.805 -4.299 8.491) 16.768 10.359 ( 10.460 7.863 -1.816) 13.212 10.766 ( -1.925 2.050 -2.475) 3.746 10.872 ( 6.059 -3.883 -0.333) 7.204 11.230 ( -6.572 1.420 -1.816) 6.965 11.517 ( -3.088 -2.271 -12.616) 13.185 11.824 ( 3.113 -3.826 -12.755) 13.675 13.000 ( 2.658 0.208 12.882) 13.155 13.247 ( -4.848 6.041 13.530) 15.591 13.431 ( 9.929 -8.578 2.789) 13.414 14.065 ( -15.542 -10.920 1.885) 19.088 14.815 ( 5.436 -0.869 -15.996) 16.917 15.214 ( 4.924 -10.752 -11.940) 16.806 15.330 ( 2.909 11.525 -12.769) 17.445 15.775 ( -1.428 7.546 -10.350) 12.888 17.371 ( -4.542 -5.533 18.350) 19.697 17.783 ( -2.580 -1.743 20.108) 20.348 18.934 ( 8.861 -2.059 2.149) 9.347 19.178 ( 1.057 5.994 5.818) 8.419 19.511 ( -1.916 -2.306 9.490) 9.953 19.599 ( -3.401 -0.822 10.968) 11.512 23.454 ( 0.233 3.214 -16.058) 16.378 23.548 ( -0.162 1.577 -15.641) 15.721 27.229 ( 1.032 -0.821 16.782) 16.834 27.308 ( -1.459 -5.331 19.223) 20.002 29.701 ( 4.435 -3.935 -7.569) 9.615 29.967 ( -3.691 -14.712 -7.705) 17.013 30.219 ( 1.788 -8.431 10.376) 13.489 30.291 ( -0.996 2.671 10.426) 10.808 32.416 ( 0.863 3.463 -6.639) 7.537 32.485 ( -1.482 -2.690 -7.415) 8.026 34.218 ( 6.253 -7.519 0.423) 9.788 34.546 ( -6.444 -10.239 -2.653) 12.386 36.615 ( 8.977 17.541 -5.007) 20.331 37.088 ( -8.633 11.486 -11.072) 18.140======================= Grid point 132 (51/126) =======================q-point: (-0.50 0.36 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.004 ( 0.000 24.209 5.027) 24.725 2.423 ( 0.000 12.356 6.449) 13.938 2.731 ( 0.000 23.102 10.371) 25.324 2.927 ( 0.000 21.986 15.637) 26.979 3.245 ( 0.000 1.841 17.224) 17.322 3.736 ( 0.000 11.909 9.247) 15.077 3.945 ( -0.000 14.217 -0.698) 14.234 4.080 ( 0.000 -5.332 16.046) 16.909 4.664 ( -0.000 31.682 1.441) 31.715 4.708 ( 0.000 25.815 4.890) 26.274 5.160 ( 0.000 -23.414 5.405) 24.030 5.463 ( 0.000 -26.714 7.537) 27.757 6.033 ( -0.000 -20.569 -3.022) 20.790 6.364 ( 0.000 -23.069 5.565) 23.731 7.629 ( 0.000 1.062 -3.922) 4.063 7.680 ( -0.000 -1.990 0.956) 2.207 8.515 ( 0.000 11.539 -10.323) 15.483 8.589 ( -0.000 -0.321 -5.467) 5.476 8.809 ( 0.000 -6.629 0.250) 6.634 9.557 ( 0.000 -12.773 11.065) 16.899 10.475 ( 0.000 10.333 -4.345) 11.210 10.733 ( 0.000 3.311 -1.065) 3.478 11.039 ( 0.000 -5.996 -1.767) 6.251 11.056 ( -0.000 -2.877 0.750) 2.973 11.492 ( 0.000 4.872 -14.664) 15.452 11.856 ( 0.000 -4.212 -11.528) 12.273 13.036 ( 0.000 2.753 15.697) 15.937 13.180 ( 0.000 3.014 11.910) 12.285 13.715 ( -0.000 -12.263 1.830) 12.398 13.719 ( 0.000 -8.492 1.111) 8.565 14.882 ( 0.000 -0.472 -16.415) 16.422 15.266 ( -0.000 -10.669 -9.977) 14.607 15.378 ( 0.000 12.637 -14.469) 19.211 15.753 ( -0.000 4.918 -11.183) 12.216 17.313 ( 0.000 2.429 18.151) 18.313 17.752 ( 0.000 -9.831 22.466) 24.523 19.077 ( -0.000 2.010 1.476) 2.494 19.162 ( 0.000 0.989 1.857) 2.104 19.497 ( 0.000 -0.507 11.037) 11.049 19.542 ( 0.000 -0.830 13.500) 13.525 23.457 ( 0.000 3.801 -16.516) 16.948 23.545 ( -0.000 1.017 -15.046) 15.080 27.247 ( 0.000 -2.256 17.803) 17.945 27.284 ( -0.000 -3.366 17.859) 18.173 29.775 ( -0.000 -9.329 -9.309) 13.179 29.902 ( 0.000 -11.069 -6.054) 12.616 30.258 ( 0.000 -4.748 9.307) 10.448 30.262 ( -0.000 -1.243 11.400) 11.468 32.432 ( 0.000 1.501 -6.907) 7.068 32.461 ( -0.000 0.482 -7.080) 7.097 34.355 ( 0.000 -8.232 -1.497) 8.367 34.407 ( -0.000 -9.652 -0.571) 9.669 36.798 ( -0.000 17.098 -8.857) 19.256 36.909 ( 0.000 11.813 -7.278) 13.875======================= Grid point 135 (52/126) =======================q-point: ( 0.00 0.45 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( 0.000 2.997 27.026) 27.192 2.550 ( 0.000 -6.615 8.624) 10.869 2.997 ( 0.000 10.292 -11.236) 15.237 3.362 ( 0.000 6.774 12.939) 14.605 3.558 ( 0.000 10.797 23.232) 25.618 3.598 ( 0.000 14.404 17.958) 23.020 3.858 ( 0.000 -5.382 3.971) 6.689 4.317 ( 0.000 -2.139 7.695) 7.986 4.344 ( 0.000 33.001 3.438) 33.179 5.002 ( 0.000 10.149 0.710) 10.174 5.015 ( 0.000 -34.013 0.495) 34.017 5.477 ( 0.000 -5.696 5.286) 7.771 5.967 ( 0.000 -9.540 -2.449) 9.850 6.134 ( 0.000 -3.580 0.103) 3.581 7.694 ( 0.000 -0.737 -0.627) 0.967 7.837 ( 0.000 4.193 -7.008) 8.167 8.134 ( 0.000 -0.937 2.219) 2.409 8.141 ( 0.000 -2.402 7.387) 7.768 8.995 ( 0.000 -3.359 -14.575) 14.957 10.066 ( 0.000 5.108 8.949) 10.304 10.210 ( 0.000 1.491 0.844) 1.713 10.678 ( 0.000 -2.700 -3.303) 4.266 10.900 ( 0.000 2.315 -1.651) 2.843 11.336 ( 0.000 -8.840 -2.058) 9.076 11.403 ( 0.000 3.247 -3.797) 4.996 11.742 ( 0.000 -1.035 -18.643) 18.672 12.968 ( 0.000 0.405 8.482) 8.492 13.205 ( 0.000 -3.651 5.315) 6.448 13.455 ( 0.000 5.058 17.903) 18.604 14.066 ( 0.000 -6.259 -0.633) 6.291 14.746 ( 0.000 1.298 -12.353) 12.421 14.977 ( 0.000 -5.233 -17.732) 18.488 15.481 ( 0.000 5.663 -10.447) 11.883 15.936 ( 0.000 4.547 -13.453) 14.200 17.186 ( 0.000 -7.686 22.586) 23.858 17.940 ( 0.000 3.177 17.682) 17.966 18.759 ( 0.000 -1.840 2.520) 3.120 19.314 ( 0.000 7.589 7.683) 10.799 19.452 ( 0.000 -5.760 8.737) 10.465 19.619 ( 0.000 -0.541 10.591) 10.605 23.487 ( 0.000 0.905 -16.014) 16.040 23.578 ( 0.000 0.740 -16.319) 16.336 27.217 ( 0.000 0.001 16.361) 16.361 27.242 ( 0.000 -1.981 16.663) 16.780 29.641 ( 0.000 -0.313 -6.325) 6.333 29.708 ( 0.000 -8.601 -8.502) 12.094 30.139 ( 0.000 -0.619 11.635) 11.652 30.376 ( 0.000 2.160 9.972) 10.204 32.438 ( 0.000 -1.694 -7.652) 7.837 32.486 ( 0.000 2.743 -6.897) 7.423 34.052 ( 0.000 -2.728 0.779) 2.837 34.443 ( 0.000 -5.265 -2.771) 5.950 36.767 ( 0.000 6.425 -2.299) 6.824 37.319 ( 0.000 3.488 -8.783) 9.451======================= Grid point 136 (53/126) =======================q-point: ( 0.25 0.45 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.330 ( 0.975 2.477 17.427) 17.629 2.718 ( -2.226 12.612 2.102) 12.979 2.877 ( 5.708 -3.334 5.931) 8.881 3.315 ( 0.115 16.281 12.703) 20.650 3.506 ( -8.868 15.570 12.259) 21.710 3.672 ( 3.252 -11.174 24.580) 27.195 3.989 ( 10.625 4.362 6.668) 13.281 4.195 ( -3.589 10.751 3.219) 11.782 4.611 ( 16.698 11.497 7.432) 21.593 4.931 ( -3.050 -2.808 -1.072) 4.283 5.074 ( 2.836 -18.209 1.533) 18.492 5.437 ( -4.448 9.065 3.795) 10.787 5.874 ( -13.886 -7.975 -1.105) 16.052 5.950 ( -8.362 -15.831 1.454) 17.963 7.679 ( -1.310 0.784 -1.391) 2.066 7.709 ( -4.920 0.804 -1.439) 5.189 8.248 ( 10.684 -2.021 -1.221) 10.942 8.519 ( 26.849 2.978 2.832) 27.162 8.848 ( -13.080 -4.155 -12.431) 18.517 9.693 ( -23.220 -0.220 6.328) 24.067 10.510 ( 14.921 6.436 1.122) 16.288 10.721 ( 4.324 -3.907 -3.415) 6.755 10.877 ( -1.746 1.740 -0.439) 2.503 11.174 ( -10.337 -4.393 1.683) 11.357 11.530 ( 6.535 2.133 -9.396) 11.642 11.749 ( 0.200 -2.922 -16.238) 16.500 13.015 ( 4.546 0.856 10.277) 11.270 13.270 ( 3.697 -3.066 8.075) 9.396 13.385 ( -2.967 3.016 11.681) 12.423 13.886 ( -14.895 -5.776 -0.798) 15.996 14.841 ( 6.774 2.814 -13.026) 14.950 15.028 ( 3.521 -6.939 -15.164) 17.044 15.529 ( 4.775 6.490 -11.066) 13.688 15.876 ( -5.565 2.463 -13.159) 14.498 17.252 ( 6.543 -4.284 21.871) 23.227 17.773 ( -13.372 0.007 18.246) 22.622 18.908 ( 11.813 -0.600 2.667) 12.125 19.292 ( -3.592 4.779 3.601) 6.979 19.449 ( 0.961 -3.400 12.387) 12.881 19.585 ( -3.107 -0.425 11.355) 11.780 23.499 ( 1.110 1.219 -16.087) 16.172 23.567 ( -1.017 0.432 -16.165) 16.203 27.219 ( 0.180 -0.147 16.348) 16.350 27.239 ( -0.283 -1.802 16.550) 16.651 29.651 ( 0.871 -0.869 -7.218) 7.323 29.713 ( 0.261 -7.689 -8.373) 11.371 30.162 ( 2.447 -0.633 11.873) 12.139 30.333 ( -3.955 1.221 10.403) 11.197 32.452 ( 1.196 -0.538 -7.568) 7.680 32.487 ( -0.058 2.347 -7.075) 7.454 34.106 ( 5.104 -3.199 0.329) 6.032 34.381 ( -5.686 -5.017 -2.134) 7.877 36.849 ( 7.705 6.021 -3.309) 10.323 37.239 ( -7.505 3.842 -7.836) 11.510======================= Grid point 137 (54/126) =======================q-point: (-0.50 0.45 0.17)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.401 ( -0.000 13.902 5.130) 14.818 2.532 ( 0.000 -0.143 6.752) 6.754 3.168 ( 0.000 15.912 7.147) 17.443 3.282 ( -0.000 4.533 24.324) 24.743 3.334 ( 0.000 15.888 4.560) 16.529 3.695 ( 0.000 -16.094 23.299) 28.317 4.104 ( 0.000 9.498 5.306) 10.879 4.177 ( -0.000 6.114 7.083) 9.357 4.826 ( -0.000 -8.408 3.458) 9.091 4.923 ( 0.000 -16.851 3.189) 17.150 5.179 ( 0.000 20.307 0.944) 20.329 5.268 ( 0.000 19.692 1.478) 19.748 5.663 ( 0.000 -14.126 -0.415) 14.133 5.876 ( -0.000 -24.938 3.717) 25.213 7.662 ( 0.000 1.304 -1.790) 2.214 7.668 ( -0.000 0.247 -0.029) 0.249 8.522 ( 0.000 -2.947 -8.583) 9.075 8.535 ( -0.000 -3.457 -7.330) 8.105 8.977 ( -0.000 16.198 2.294) 16.359 9.290 ( 0.000 -14.658 6.549) 16.054 10.676 ( 0.000 9.531 -3.514) 10.158 10.781 ( 0.000 0.338 -3.955) 3.970 10.942 ( 0.000 -3.233 2.517) 4.097 10.959 ( -0.000 -5.413 4.831) 7.255 11.609 ( 0.000 6.651 -14.069) 15.562 11.744 ( 0.000 -6.623 -12.651) 14.280 13.115 ( -0.000 4.859 13.954) 14.775 13.196 ( 0.000 -2.059 13.379) 13.536 13.552 ( -0.000 -3.289 0.095) 3.290 13.580 ( 0.000 -5.030 0.551) 5.060 14.925 ( 0.000 4.845 -14.540) 15.326 15.065 ( -0.000 -9.018 -12.065) 15.063 15.624 ( 0.000 11.020 -12.850) 16.929 15.774 ( -0.000 -3.407 -11.875) 12.354 17.393 ( 0.000 6.093 19.494) 20.425 17.554 ( -0.000 -9.673 20.762) 22.905 19.126 ( -0.000 2.550 2.011) 3.248 19.163 ( 0.000 -0.938 2.224) 2.414 19.497 ( -0.000 0.564 12.506) 12.518 19.518 ( 0.000 -1.419 13.391) 13.466 23.518 ( 0.000 2.349 -16.370) 16.537 23.549 ( -0.000 -0.691 -15.802) 15.817 27.222 ( 0.000 -0.319 16.364) 16.367 27.235 ( -0.000 -1.598 16.410) 16.487 29.664 ( -0.000 -1.594 -8.537) 8.684 29.714 ( 0.000 -6.539 -7.693) 10.097 30.231 ( 0.000 0.369 11.132) 11.138 30.245 ( -0.000 -0.793 11.689) 11.716 32.472 ( 0.000 1.764 -7.299) 7.509 32.482 ( -0.000 0.792 -7.439) 7.481 34.230 ( 0.000 -3.283 -0.970) 3.423 34.249 ( -0.000 -5.159 -0.658) 5.201 37.031 ( -0.000 6.508 -5.834) 8.740 37.060 ( 0.000 3.311 -5.363) 6.302======================= Grid point 165 (55/126) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.935 ( 0.000 0.000 24.318) 24.318 1.141 ( 0.000 0.000 15.002) 15.002 1.466 ( 0.000 0.000 8.311) 8.311 2.061 ( 0.000 0.000 5.581) 5.581 2.372 ( 0.000 0.000 0.961) 0.961 2.572 ( 0.000 0.000 4.896) 4.896 2.876 ( 0.000 0.000 -9.120) 9.120 3.396 ( 0.000 0.000 11.877) 11.877 4.376 ( 0.000 0.000 25.460) 25.460 5.291 ( 0.000 0.000 41.086) 41.086 6.055 ( 0.000 0.000 10.107) 10.107 6.956 ( 0.000 0.000 -0.726) 0.726 7.212 ( 0.000 0.000 0.773) 0.773 7.271 ( 0.000 0.000 3.950) 3.950 7.508 ( 0.000 0.000 8.317) 8.317 7.755 ( 0.000 0.000 -4.957) 4.957 8.147 ( 0.000 0.000 -1.653) 1.653 8.551 ( 0.000 0.000 -13.133) 13.133 9.607 ( 0.000 0.000 -4.256) 4.256 9.776 ( 0.000 0.000 -0.796) 0.796 10.020 ( 0.000 0.000 2.930) 2.930 10.588 ( 0.000 0.000 -0.059) 0.059 10.781 ( 0.000 0.000 4.726) 4.726 11.149 ( 0.000 0.000 -10.372) 10.372 11.454 ( 0.000 0.000 -13.167) 13.167 11.576 ( 0.000 0.000 -6.045) 6.045 13.169 ( 0.000 0.000 3.779) 3.779 13.418 ( 0.000 0.000 5.410) 5.410 13.671 ( 0.000 0.000 -5.736) 5.736 14.158 ( 0.000 0.000 2.464) 2.464 14.812 ( 0.000 0.000 -27.628) 27.628 14.935 ( 0.000 0.000 -7.209) 7.209 15.228 ( 0.000 0.000 -6.563) 6.563 15.660 ( 0.000 0.000 -14.659) 14.659 17.469 ( 0.000 0.000 18.390) 18.390 18.509 ( 0.000 0.000 -0.286) 0.286 18.697 ( 0.000 0.000 4.260) 4.260 19.432 ( 0.000 0.000 -1.197) 1.197 19.945 ( 0.000 0.000 22.120) 22.120 20.219 ( 0.000 0.000 22.671) 22.671 22.884 ( 0.000 0.000 -17.570) 17.570 22.958 ( 0.000 0.000 -17.505) 17.505 27.597 ( 0.000 0.000 18.487) 18.487 29.389 ( 0.000 0.000 -11.100) 11.100 29.814 ( 0.000 0.000 5.274) 5.274 30.306 ( 0.000 0.000 6.211) 6.211 30.360 ( 0.000 0.000 15.373) 15.373 32.410 ( 0.000 0.000 -14.197) 14.197 32.743 ( 0.000 0.000 -8.971) 8.971 32.833 ( 0.000 0.000 -27.111) 27.111 34.207 ( 0.000 0.000 -0.689) 0.689 34.238 ( 0.000 0.000 -0.868) 0.868 34.667 ( 0.000 0.000 3.301) 3.301 34.815 ( 0.000 0.000 0.007) 0.007======================= Grid point 166 (56/126) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.920 ( 5.303 0.000 0.089) 5.304 1.197 ( 3.478 0.000 9.215) 9.849 1.857 ( 21.655 0.000 12.239) 24.875 2.071 ( -1.946 0.000 3.247) 3.785 2.368 ( 2.407 0.000 3.583) 4.316 2.402 ( -20.942 0.000 -1.470) 20.993 2.543 ( 2.725 0.000 10.079) 10.441 3.820 ( -9.340 0.000 -2.272) 9.612 4.165 ( 12.817 0.000 41.656) 43.583 5.165 ( -12.848 0.000 39.299) 41.346 6.265 ( 17.657 0.000 3.546) 18.010 6.955 ( -0.615 0.000 -1.552) 1.669 7.150 ( -6.403 0.000 2.322) 6.811 7.206 ( -10.938 0.000 -8.064) 13.589 7.540 ( -3.043 0.000 2.118) 3.708 7.798 ( 20.294 0.000 10.601) 22.897 8.042 ( -8.145 0.000 -1.676) 8.315 8.610 ( -3.201 0.000 -3.059) 4.427 9.626 ( 1.667 0.000 -4.113) 4.438 9.701 ( -3.662 0.000 -2.402) 4.379 10.191 ( 14.991 0.000 -1.734) 15.091 10.629 ( 3.555 0.000 0.703) 3.624 10.762 ( -1.930 0.000 4.283) 4.698 10.979 ( -15.821 0.000 -10.034) 18.735 11.476 ( 1.930 0.000 -12.810) 12.955 11.550 ( -1.779 0.000 -7.644) 7.848 13.150 ( -0.092 0.000 7.389) 7.390 13.337 ( -6.810 0.000 6.962) 9.739 13.891 ( 17.408 0.000 -11.439) 20.829 14.235 ( 5.189 0.000 -0.702) 5.236 14.743 ( -4.850 0.000 -23.038) 23.543 14.870 ( -6.080 0.000 -7.266) 9.475 15.327 ( 8.211 0.000 -9.543) 12.589 15.620 ( -3.991 0.000 -14.056) 14.612 17.554 ( 8.553 0.000 17.090) 19.111 18.190 ( -20.023 0.000 6.040) 20.914 18.951 ( 14.295 0.000 1.379) 14.362 19.373 ( -5.754 0.000 -0.731) 5.800 19.958 ( 1.488 0.000 22.676) 22.724 20.136 ( -6.627 0.000 24.125) 25.019 22.904 ( 1.629 0.000 -17.821) 17.895 22.954 ( -0.470 0.000 -17.611) 17.618 27.703 ( 10.614 0.000 20.010) 22.651 28.638 ( -38.300 0.000 18.210) 42.409 30.135 ( 6.355 0.000 -3.112) 7.076 30.286 ( -1.991 0.000 5.329) 5.689 30.995 ( 49.231 0.000 -11.914) 50.652 32.309 ( -11.865 0.000 -20.898) 24.031 32.735 ( -0.727 0.000 -9.226) 9.255 32.773 ( -4.210 0.000 -20.606) 21.031 34.207 ( 0.098 0.000 -0.374) 0.387 34.228 ( -0.786 0.000 -0.442) 0.902 34.691 ( 2.243 0.000 2.520) 3.374 34.796 ( -1.859 0.000 0.278) 1.880======================= Grid point 167 (57/126) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.134 ( -8.395 0.000 -5.499) 10.035 1.134 ( 8.395 0.000 -5.499) 10.035 1.967 ( -0.006 0.000 4.087) 4.087 1.967 ( 0.006 0.000 4.087) 4.087 2.324 ( -2.283 0.000 2.989) 3.762 2.324 ( 2.283 0.000 2.989) 3.762 3.100 ( -40.540 0.000 18.755) 44.668 3.100 ( 40.540 0.000 18.755) 44.668 4.757 ( -18.966 0.000 33.565) 38.553 4.757 ( 18.966 0.000 33.565) 38.553 6.689 ( -23.173 0.000 -7.137) 24.247 6.689 ( 23.173 0.000 -7.137) 24.247 7.057 ( -1.368 0.000 0.793) 1.581 7.057 ( 1.368 0.000 0.793) 1.581 7.737 ( -11.628 0.000 2.764) 11.952 7.737 ( 11.628 0.000 2.764) 11.952 8.320 ( -19.979 0.000 6.606) 21.042 8.320 ( 19.979 0.000 6.606) 21.042 9.660 ( -0.176 0.000 -3.975) 3.979 9.660 ( 0.176 0.000 -3.975) 3.979 10.579 ( -21.344 0.000 -7.568) 22.646 10.579 ( 21.344 0.000 -7.568) 22.646 10.706 ( -3.350 0.000 2.439) 4.144 10.706 ( 3.350 0.000 2.439) 4.144 11.516 ( -0.396 0.000 -10.970) 10.978 11.516 ( 0.396 0.000 -10.970) 10.978 13.202 ( -4.546 0.000 8.678) 9.797 13.202 ( 4.546 0.000 8.678) 9.797 14.205 ( -7.742 0.000 -11.456) 13.827 14.205 ( 7.742 0.000 -11.456) 13.827 14.734 ( -1.709 0.000 -11.152) 11.282 14.734 ( 1.709 0.000 -11.152) 11.282 15.499 ( -3.144 0.000 -12.399) 12.792 15.499 ( 3.144 0.000 -12.399) 12.792 17.810 ( -8.055 0.000 12.839) 15.156 17.810 ( 8.055 0.000 12.839) 15.156 19.206 ( -10.490 0.000 0.326) 10.495 19.206 ( 10.490 0.000 0.326) 10.495 20.016 ( -3.261 0.000 24.032) 24.252 20.016 ( 3.261 0.000 24.032) 24.252 22.936 ( -0.278 0.000 -17.843) 17.845 22.936 ( 0.278 0.000 -17.843) 17.845 28.032 ( -22.443 0.000 22.631) 31.873 28.032 ( 22.443 0.000 22.631) 31.873 30.227 ( -3.624 0.000 2.531) 4.420 30.227 ( 3.624 0.000 2.531) 4.420 31.857 ( -22.498 0.000 -27.352) 35.416 31.857 ( 22.498 0.000 -27.352) 35.416 32.726 ( -0.029 0.000 -11.427) 11.427 32.726 ( 0.029 0.000 -11.427) 11.427 34.213 ( -0.007 0.000 -0.063) 0.063 34.213 ( 0.007 0.000 -0.063) 0.063 34.746 ( -1.930 0.000 1.165) 2.255 34.746 ( 1.930 0.000 1.165) 2.255======================= Grid point 170 (58/126) =======================q-point: ( 0.00 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 0.000 22.712 21.055) 30.970 1.214 ( 0.000 8.132 9.568) 12.557 1.647 ( 0.000 16.698 9.440) 19.182 2.352 ( 0.000 26.932 4.782) 27.353 2.584 ( 0.000 1.802 4.105) 4.483 2.622 ( 0.000 23.684 0.626) 23.692 2.934 ( 0.000 5.397 -6.178) 8.204 3.466 ( 0.000 6.296 8.895) 10.898 4.268 ( 0.000 -9.862 29.457) 31.064 5.248 ( 0.000 -4.227 39.866) 40.089 6.002 ( 0.000 -5.519 8.462) 10.103 6.892 ( 0.000 -6.580 -0.935) 6.646 7.128 ( 0.000 -4.593 -1.180) 4.742 7.194 ( 0.000 -7.855 4.344) 8.976 7.529 ( 0.000 -7.984 -1.514) 8.127 7.799 ( 0.000 10.671 4.854) 11.723 8.001 ( 0.000 -11.256 -5.126) 12.368 8.605 ( 0.000 2.463 -7.865) 8.241 9.545 ( 0.000 -6.310 -0.660) 6.344 9.811 ( 0.000 3.594 -1.155) 3.775 10.045 ( 0.000 1.993 -0.907) 2.189 10.578 ( 0.000 -0.446 0.432) 0.621 10.811 ( 0.000 2.930 3.611) 4.650 11.127 ( 0.000 -2.584 -10.717) 11.024 11.487 ( 0.000 3.041 -13.016) 13.366 11.567 ( 0.000 -0.449 -5.872) 5.890 13.161 ( 0.000 -0.104 4.436) 4.438 13.384 ( 0.000 -3.298 5.383) 6.313 13.666 ( 0.000 -0.551 -4.670) 4.702 14.231 ( 0.000 6.854 2.278) 7.223 14.822 ( 0.000 0.339 -25.029) 25.032 15.004 ( 0.000 6.730 -8.960) 11.206 15.081 ( 0.000 -13.003 -7.439) 14.981 15.610 ( 0.000 -5.980 -14.311) 15.510 17.522 ( 0.000 5.795 18.373) 19.265 18.608 ( 0.000 -8.807 6.558) 10.980 18.621 ( 0.000 10.146 -0.279) 10.150 19.359 ( 0.000 -7.110 0.243) 7.114 19.928 ( 0.000 -1.592 22.107) 22.164 20.120 ( 0.000 -7.619 24.124) 25.298 22.910 ( 0.000 2.447 -18.037) 18.202 22.999 ( 0.000 3.518 -18.769) 19.096 27.591 ( 0.000 -0.503 18.593) 18.600 29.301 ( 0.000 -40.235 19.673) 44.787 29.405 ( 0.000 1.502 -11.203) 11.304 30.302 ( 0.000 -0.894 5.643) 5.713 30.366 ( 0.000 0.734 15.501) 15.518 32.350 ( 0.000 -5.209 -12.842) 13.859 32.362 ( 0.000 -41.179 -19.369) 45.507 32.680 ( 0.000 -5.127 -9.932) 11.177 34.424 ( 0.000 36.106 -2.876) 36.220 34.619 ( 0.000 -4.420 3.086) 5.391 34.842 ( 0.000 1.675 -1.286) 2.112 35.026 ( 0.000 46.772 -15.874) 49.392======================= Grid point 171 (59/126) =======================q-point: ( 0.25 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 0.845 15.485 3.880) 15.987 1.253 ( 3.223 6.283 8.062) 10.717 1.965 ( 5.526 10.097 5.385) 12.708 2.348 ( -1.049 23.964 3.118) 24.189 2.526 ( -7.289 19.088 1.231) 20.470 2.543 ( 9.643 5.150 13.364) 17.266 2.692 ( -6.476 20.384 1.413) 21.435 3.761 ( -7.643 -5.374 -2.836) 9.764 4.148 ( 9.862 -1.772 41.645) 42.834 5.161 ( -8.349 -0.537 38.912) 39.801 6.187 ( 16.321 -7.884 3.990) 18.559 6.903 ( 0.210 -5.982 -2.216) 6.383 7.054 ( -9.440 -9.006 2.850) 13.355 7.129 ( -12.318 -6.843 -9.838) 17.185 7.466 ( 7.625 -5.020 5.794) 10.813 7.901 ( 13.416 5.462 5.948) 15.659 8.048 ( -4.543 2.092 -1.287) 5.164 8.544 ( -6.446 -5.968 -2.080) 9.027 9.515 ( -1.843 -8.495 -2.620) 9.079 9.774 ( -1.444 5.301 -2.760) 6.148 10.202 ( 12.918 -0.043 -2.270) 13.116 10.602 ( 1.394 -1.681 0.475) 2.235 10.805 ( -0.449 4.122 3.073) 5.161 10.997 ( -11.517 1.275 -9.871) 15.222 11.455 ( -2.607 -2.020 -10.808) 11.300 11.574 ( 0.949 2.372 -9.436) 9.776 13.153 ( 0.406 0.697 7.321) 7.366 13.334 ( -5.209 -0.474 7.504) 9.147 13.850 ( 15.869 -3.673 -9.335) 18.774 14.286 ( 3.401 4.676 -0.289) 5.789 14.725 ( -7.636 -1.395 -19.894) 21.355 14.963 ( -3.282 7.987 -9.653) 12.952 15.166 ( 6.167 -13.431 -10.858) 18.339 15.594 ( -1.484 -4.364 -14.119) 14.852 17.556 ( 3.017 1.610 17.911) 18.235 18.292 ( -14.086 7.393 7.404) 17.546 18.929 ( 14.173 -1.402 0.997) 14.277 19.313 ( -4.561 -5.835 0.170) 7.408 19.929 ( 0.253 -2.620 22.584) 22.737 20.068 ( -4.127 -5.367 24.645) 25.558 22.909 ( -0.065 1.290 -18.195) 18.241 23.010 ( 0.827 4.284 -18.700) 19.202 27.690 ( 9.801 -1.277 20.051) 22.355 28.535 ( -34.048 -10.373 21.344) 41.502 30.038 ( 16.368 -10.426 -8.473) 21.176 30.278 ( -2.247 -0.990 4.780) 5.374 30.687 ( 33.324 -18.781 4.754) 38.546 32.081 ( -18.279 -28.647 -19.618) 39.238 32.497 ( 5.222 -16.304 -12.219) 21.033 32.654 ( -2.429 -6.307 -9.897) 11.984 34.411 ( -0.964 33.669 -1.901) 33.737 34.629 ( 0.709 -1.077 2.155) 2.512 34.828 ( -1.001 4.852 -1.912) 5.310 35.032 ( 0.421 42.526 -14.356) 44.886======================= Grid point 172 (60/126) =======================q-point: (-0.50 0.09 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( 0.000 10.078 -6.673) 12.087 1.292 ( -0.000 7.751 1.938) 7.990 1.814 ( 0.000 0.200 2.382) 2.390 2.291 ( 0.000 17.803 4.497) 18.362 2.523 ( -0.000 23.583 2.413) 23.706 2.609 ( 0.000 22.268 3.144) 22.489 3.058 ( -0.000 2.107 15.006) 15.153 3.252 ( 0.000 9.460 16.683) 19.179 4.447 ( 0.000 -15.775 30.955) 34.743 5.008 ( -0.000 10.010 37.504) 38.817 6.590 ( 0.000 -7.545 -2.123) 7.838 6.597 ( -0.000 -12.501 -7.299) 14.476 6.990 ( -0.000 -2.519 1.103) 2.750 6.998 ( 0.000 -7.912 -1.129) 7.992 7.706 ( 0.000 2.050 3.541) 4.091 7.862 ( -0.000 5.153 0.285) 5.161 8.146 ( 0.000 -11.539 3.550) 12.073 8.386 ( -0.000 1.943 7.341) 7.594 9.501 ( 0.000 -10.344 -5.483) 11.707 9.763 ( 0.000 5.507 -3.032) 6.287 10.443 ( -0.000 -9.304 -1.484) 9.422 10.566 ( 0.000 -0.496 -5.286) 5.309 10.808 ( 0.000 7.946 -4.860) 9.315 10.814 ( -0.000 7.109 1.705) 7.311 11.424 ( 0.000 -5.454 -10.585) 11.908 11.588 ( 0.000 3.385 -11.233) 11.732 13.187 ( -0.000 0.294 9.035) 9.040 13.239 ( 0.000 1.844 8.480) 8.678 14.113 ( -0.000 -4.403 -7.734) 8.899 14.272 ( 0.000 0.874 -11.360) 11.394 14.628 ( 0.000 -2.422 -10.581) 10.855 14.917 ( 0.000 10.488 -11.605) 15.642 15.246 ( 0.000 -15.401 -12.520) 19.848 15.571 ( 0.000 -1.960 -13.712) 13.851 17.602 ( 0.000 -5.341 17.141) 17.954 18.128 ( 0.000 15.393 10.385) 18.568 19.157 ( -0.000 -3.386 -0.048) 3.386 19.186 ( 0.000 -3.054 0.371) 3.076 19.937 ( 0.000 -4.993 23.364) 23.891 20.012 ( 0.000 -2.163 24.762) 24.857 22.908 ( 0.000 0.381 -18.317) 18.321 23.020 ( 0.000 4.844 -18.637) 19.257 27.974 ( 0.000 -4.651 22.847) 23.316 28.009 ( -0.000 -3.233 22.886) 23.114 30.204 ( -0.000 -1.930 1.494) 2.440 30.213 ( 0.000 -2.436 0.689) 2.531 31.239 ( -0.000 -34.823 -11.900) 36.800 31.740 ( 0.000 -27.582 -19.407) 33.726 32.577 ( 0.000 -12.666 -10.328) 16.343 32.599 ( -0.000 -7.665 -10.222) 12.777 34.399 ( 0.000 31.893 -1.122) 31.912 34.638 ( 0.000 1.706 1.398) 2.206 34.816 ( -0.000 6.998 -2.268) 7.357 35.037 ( 0.000 39.214 -13.118) 41.350======================= Grid point 175 (61/126) =======================q-point: ( 0.00 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.480 ( 0.000 18.505 2.278) 18.645 1.737 ( 0.000 31.376 16.526) 35.462 2.052 ( 0.000 22.346 7.952) 23.718 2.669 ( 0.000 7.253 4.277) 8.420 3.002 ( 0.000 35.848 3.774) 36.046 3.078 ( 0.000 9.285 -0.649) 9.308 3.199 ( 0.000 29.043 -1.246) 29.070 3.583 ( 0.000 4.930 0.124) 4.932 4.083 ( 0.000 -4.699 42.276) 42.536 5.126 ( 0.000 -8.376 37.049) 37.984 5.844 ( 0.000 -9.592 3.987) 10.387 6.676 ( 0.000 -16.119 -2.260) 16.277 6.971 ( 0.000 -13.810 5.906) 15.020 7.090 ( 0.000 -0.012 -10.469) 10.469 7.232 ( 0.000 -18.335 1.436) 18.391 7.798 ( 0.000 -8.050 -6.047) 10.068 8.074 ( 0.000 13.923 6.605) 15.411 8.593 ( 0.000 -3.537 -1.553) 3.863 9.369 ( 0.000 -10.859 2.173) 11.075 9.913 ( 0.000 6.296 -1.595) 6.495 10.059 ( 0.000 -1.354 -3.575) 3.823 10.604 ( 0.000 3.657 0.624) 3.710 10.887 ( 0.000 3.898 1.265) 4.099 11.041 ( 0.000 -5.275 -10.373) 11.637 11.550 ( 0.000 2.609 -12.137) 12.415 11.568 ( 0.000 0.263 -6.996) 7.001 13.194 ( 0.000 3.847 5.362) 6.599 13.295 ( 0.000 -5.399 5.592) 7.773 13.643 ( 0.000 -2.063 -1.649) 2.640 14.398 ( 0.000 8.897 3.153) 9.439 14.786 ( 0.000 -15.345 -10.052) 18.344 14.802 ( 0.000 -2.083 -21.263) 21.365 15.181 ( 0.000 10.544 -10.275) 14.722 15.416 ( 0.000 -12.944 -13.840) 18.949 17.698 ( 0.000 11.425 17.863) 21.204 18.372 ( 0.000 -14.203 11.652) 18.372 18.855 ( 0.000 12.430 0.304) 12.433 19.182 ( 0.000 -9.645 2.487) 9.961 19.891 ( 0.000 -1.875 21.876) 21.956 19.998 ( 0.000 -4.233 22.353) 22.750 22.972 ( 0.000 3.550 -19.136) 19.463 23.073 ( 0.000 3.557 -20.475) 20.782 27.580 ( 0.000 -0.572 18.884) 18.893 28.553 ( 0.000 -32.324 28.358) 43.000 29.441 ( 0.000 1.875 -11.299) 11.454 30.266 ( 0.000 -2.983 3.584) 4.663 30.394 ( 0.000 2.290 15.669) 15.836 31.484 ( 0.000 -43.646 -8.613) 44.488 32.247 ( 0.000 -4.245 -10.506) 11.332 32.565 ( 0.000 -6.394 -10.773) 12.528 34.502 ( 0.000 -7.301 2.680) 7.778 34.840 ( 0.000 -2.530 -3.507) 4.325 35.222 ( 0.000 39.991 -6.361) 40.494 35.884 ( 0.000 38.212 -21.093) 43.648======================= Grid point 176 (62/126) =======================q-point: ( 0.25 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.452 ( -5.857 17.545 12.014) 22.056 1.516 ( -3.065 24.057 0.139) 24.252 2.231 ( -8.268 16.231 -2.347) 18.366 2.652 ( 5.800 6.495 15.876) 18.107 2.837 ( -2.207 23.824 3.390) 24.165 3.089 ( 4.011 34.336 2.591) 34.667 3.233 ( -0.632 29.328 0.489) 29.339 3.665 ( -1.126 -0.476 -2.960) 3.202 4.098 ( 3.030 -2.841 41.240) 41.449 5.131 ( 0.365 -3.146 38.487) 38.617 5.964 ( 11.901 -13.876 3.825) 18.676 6.659 ( -5.284 -18.767 -2.424) 19.646 6.812 ( -11.494 -14.809 0.673) 18.759 7.021 ( -5.635 -4.628 -5.837) 9.340 7.363 ( 16.866 -4.922 4.749) 18.200 7.891 ( 4.936 -4.255 -3.969) 7.630 8.169 ( 0.910 6.729 2.837) 7.359 8.424 ( -9.410 -4.167 0.682) 10.314 9.318 ( -4.185 -11.086 -1.366) 11.928 9.907 ( -0.305 7.978 -2.600) 8.396 10.146 ( 7.007 -5.443 -1.146) 8.946 10.601 ( -0.851 1.832 -1.107) 2.304 10.905 ( 1.983 5.009 0.940) 5.468 11.005 ( -2.787 -0.430 -9.355) 9.770 11.410 ( -8.399 -2.140 -9.059) 12.538 11.629 ( 2.067 2.726 -10.721) 11.253 13.193 ( 0.592 3.616 7.201) 8.079 13.312 ( -0.952 -1.868 8.916) 9.159 13.759 ( 12.500 -5.381 -5.488) 14.674 14.380 ( -4.429 2.768 0.953) 5.309 14.692 ( -5.431 -1.345 -15.209) 16.206 14.873 ( 4.993 -13.265 -13.791) 19.776 15.162 ( -1.602 10.891 -11.352) 15.812 15.436 ( 1.302 -10.787 -14.531) 18.144 17.639 ( -4.491 6.016 18.503) 19.968 18.360 ( -0.747 -2.103 12.624) 12.819 18.955 ( 8.015 4.964 -0.469) 9.439 19.169 ( -1.512 -7.705 1.151) 7.936 19.874 ( -1.551 -2.535 21.693) 21.896 19.978 ( -1.484 -3.331 23.717) 23.995 22.956 ( -1.071 3.166 -19.575) 19.859 23.094 ( 1.425 3.797 -19.974) 20.382 27.657 ( 7.584 -1.929 20.112) 21.581 28.254 ( -20.514 -16.607 25.594) 36.765 29.787 ( 22.714 -11.694 -12.019) 28.233 30.235 ( -3.165 -3.706 1.924) 5.239 30.490 ( 10.166 -2.826 14.727) 18.116 31.336 ( -13.564 -38.922 -7.101) 41.825 32.298 ( 4.480 -6.135 -10.109) 12.645 32.522 ( -4.010 -6.900 -10.499) 13.188 34.538 ( 3.394 -5.877 1.998) 7.075 34.773 ( -5.367 -0.930 -1.599) 5.677 35.291 ( 5.237 39.260 -9.234) 40.670 35.841 ( -3.624 36.521 -18.711) 41.194======================= Grid point 177 (63/126) =======================q-point: (-0.50 0.18 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( 0.000 7.764 10.649) 13.179 1.505 ( 0.000 21.633 -4.077) 22.014 2.047 ( -0.000 20.626 -2.697) 20.802 2.571 ( 0.000 10.333 10.897) 15.018 3.075 ( -0.000 16.814 3.690) 17.214 3.116 ( 0.000 31.086 1.571) 31.125 3.297 ( -0.000 27.848 1.795) 27.906 3.486 ( 0.000 16.311 11.669) 20.055 4.163 ( 0.000 -12.091 31.541) 33.779 5.135 ( -0.000 2.424 40.771) 40.843 6.230 ( 0.000 -22.599 -1.243) 22.633 6.397 ( -0.000 -12.178 2.756) 12.486 6.752 ( -0.000 -16.575 -2.793) 16.808 6.961 ( 0.000 -1.842 -0.084) 1.844 7.746 ( 0.000 -4.206 4.221) 5.959 7.881 ( -0.000 -3.085 0.892) 3.211 7.945 ( -0.000 -1.828 -3.890) 4.298 8.437 ( 0.000 3.262 3.022) 4.447 9.260 ( 0.000 -13.419 -4.858) 14.271 9.904 ( -0.000 8.801 -2.896) 9.265 10.245 ( 0.000 -10.307 1.559) 10.424 10.576 ( 0.000 1.305 -5.055) 5.221 10.951 ( 0.000 6.406 1.086) 6.497 10.960 ( -0.000 6.648 -7.047) 9.688 11.302 ( 0.000 -6.471 -9.939) 11.860 11.650 ( 0.000 2.787 -11.255) 11.595 13.216 ( 0.000 2.468 8.244) 8.606 13.273 ( 0.000 1.579 10.420) 10.539 14.016 ( -0.000 -5.800 -4.910) 7.600 14.211 ( 0.000 -7.169 -6.396) 9.607 14.652 ( 0.000 4.348 -9.283) 10.251 14.938 ( 0.000 -13.997 -14.815) 20.381 15.139 ( -0.000 11.612 -11.765) 16.531 15.450 ( 0.000 -9.071 -15.102) 17.617 17.583 ( 0.000 2.092 19.197) 19.311 18.352 ( 0.000 5.720 13.499) 14.661 19.091 ( -0.000 -2.759 -0.608) 2.825 19.115 ( 0.000 -2.681 -1.042) 2.876 19.851 ( 0.000 -3.247 21.789) 22.030 19.960 ( 0.000 -2.455 25.079) 25.199 22.944 ( 0.000 2.877 -19.832) 20.040 23.110 ( 0.000 3.942 -19.657) 20.048 27.860 ( 0.000 -6.547 23.005) 23.919 27.912 ( -0.000 -6.241 22.945) 23.778 30.087 ( -0.000 -11.473 -7.972) 13.971 30.143 ( 0.000 -4.677 -2.000) 5.087 30.710 ( -0.000 -16.185 6.444) 17.421 31.089 ( 0.000 -31.398 -2.294) 31.482 32.382 ( 0.000 -7.219 -9.688) 12.081 32.443 ( -0.000 -7.548 -10.346) 12.807 34.603 ( 0.000 -3.860 0.317) 3.873 34.687 ( -0.000 -1.287 0.847) 1.541 35.359 ( -0.000 40.677 -12.336) 42.507 35.790 ( 0.000 34.027 -15.654) 37.455======================= Grid point 180 (64/126) =======================q-point: ( 0.00 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 0.000 24.551 -2.425) 24.671 2.391 ( 0.000 33.873 11.776) 35.862 2.448 ( 0.000 15.677 3.988) 16.176 2.881 ( 0.000 14.197 6.684) 15.692 3.264 ( 0.000 -14.087 1.081) 14.128 3.333 ( 0.000 17.726 3.889) 18.147 3.688 ( 0.000 31.460 4.519) 31.783 4.031 ( 0.000 33.523 1.672) 33.565 4.148 ( 0.000 8.880 40.711) 41.668 4.895 ( 0.000 -15.388 32.108) 35.605 5.676 ( 0.000 -6.350 0.442) 6.366 6.251 ( 0.000 -25.718 -2.057) 25.800 6.672 ( 0.000 -16.207 5.761) 17.200 6.771 ( 0.000 -23.816 -3.174) 24.026 7.208 ( 0.000 8.207 -8.370) 11.722 7.695 ( 0.000 -2.643 -3.623) 4.484 8.282 ( 0.000 5.963 5.434) 8.068 8.490 ( 0.000 -6.169 3.221) 6.960 9.142 ( 0.000 -11.632 -0.869) 11.664 10.014 ( 0.000 -1.677 -1.266) 2.101 10.043 ( 0.000 6.469 -1.209) 6.581 10.710 ( 0.000 6.307 0.128) 6.309 10.844 ( 0.000 -7.555 -4.422) 8.754 11.049 ( 0.000 5.738 -6.609) 8.752 11.560 ( 0.000 -1.341 -9.051) 9.150 11.562 ( 0.000 -1.944 -9.327) 9.527 13.188 ( 0.000 -4.878 5.733) 7.527 13.316 ( 0.000 8.293 6.186) 10.346 13.572 ( 0.000 -5.293 2.928) 6.049 14.472 ( 0.000 -4.416 2.256) 4.959 14.524 ( 0.000 -10.067 -14.606) 17.739 14.838 ( 0.000 8.675 -15.350) 17.632 15.134 ( 0.000 -14.776 -14.236) 20.518 15.396 ( 0.000 10.540 -10.649) 14.983 17.941 ( 0.000 12.323 17.372) 21.299 18.077 ( 0.000 -14.996 15.444) 21.526 19.005 ( 0.000 -8.074 1.961) 8.309 19.084 ( 0.000 10.405 1.456) 10.506 19.858 ( 0.000 -1.565 21.557) 21.614 19.944 ( 0.000 -1.589 20.422) 20.483 23.041 ( 0.000 3.216 -20.298) 20.552 23.134 ( 0.000 2.678 -21.504) 21.670 27.571 ( 0.000 -0.239 19.290) 19.292 28.040 ( 0.000 -20.062 26.283) 33.064 29.472 ( 0.000 1.092 -10.977) 11.031 30.145 ( 0.000 -11.500 -5.444) 12.723 30.459 ( 0.000 4.149 15.465) 16.012 30.750 ( 0.000 -27.111 5.555) 27.674 32.208 ( 0.000 0.495 -9.128) 9.141 32.437 ( 0.000 -6.322 -10.788) 12.504 34.340 ( 0.000 -8.659 2.167) 8.926 34.731 ( 0.000 -8.255 -4.550) 9.426 35.937 ( 0.000 31.598 -4.787) 31.958 36.521 ( 0.000 26.328 -17.492) 31.610======================= Grid point 181 (65/126) =======================q-point: ( 0.25 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( -9.632 22.244 2.365) 24.355 2.064 ( -9.858 28.613 6.769) 31.012 2.585 ( -6.291 19.178 -3.552) 20.494 2.774 ( -0.501 5.206 13.485) 14.464 3.305 ( 3.179 23.459 3.586) 23.943 3.462 ( 7.788 3.194 -1.611) 8.570 3.780 ( 8.112 29.267 3.223) 30.541 4.041 ( -2.605 21.322 9.065) 23.315 4.105 ( -0.982 16.057 30.710) 34.668 4.993 ( 7.379 -11.824 34.654) 37.351 5.691 ( 2.779 -12.339 5.473) 13.781 6.209 ( -5.158 -25.808 0.090) 26.318 6.479 ( -10.981 -18.324 -0.602) 21.371 6.834 ( 1.675 -15.876 2.683) 16.188 7.338 ( 12.162 3.513 -5.185) 13.680 7.799 ( 6.037 -4.322 -3.800) 8.341 8.219 ( -8.352 -0.344 1.697) 8.530 8.441 ( 0.284 4.189 0.873) 4.289 9.085 ( -5.527 -12.240 -2.021) 13.581 9.982 ( -0.220 -5.422 5.163) 7.490 10.116 ( 3.494 7.878 -5.657) 10.309 10.656 ( -3.660 2.849 -3.524) 5.825 10.916 ( 6.100 -2.979 -2.389) 7.197 11.058 ( 0.649 5.453 -6.103) 8.210 11.371 ( -10.949 -2.082 -7.769) 13.586 11.660 ( 2.828 -0.149 -10.417) 10.795 13.259 ( 4.031 -3.250 9.138) 10.504 13.294 ( -1.378 6.357 7.105) 9.633 13.640 ( 8.572 -6.721 -0.347) 10.898 14.310 ( -14.779 -9.120 -0.355) 17.370 14.576 ( 4.036 -8.739 -15.097) 17.904 14.855 ( 2.252 10.323 -11.989) 15.980 15.199 ( 4.142 -12.625 -15.577) 20.474 15.380 ( -1.314 10.464 -10.947) 15.200 17.744 ( -9.943 3.235 18.443) 21.201 18.252 ( 8.023 -6.595 16.449) 19.454 19.026 ( 2.203 -4.199 0.990) 4.844 19.105 ( 1.340 6.726 -0.603) 6.885 19.836 ( -1.854 -1.361 20.964) 21.090 19.934 ( -0.722 -1.346 22.572) 22.623 23.024 ( -1.129 3.511 -20.921) 21.244 23.155 ( 1.366 2.347 -20.837) 21.013 27.618 ( 4.596 -1.804 20.090) 20.688 27.938 ( -8.545 -14.288 24.717) 29.801 29.614 ( 11.905 -6.222 -11.489) 17.676 30.093 ( -5.047 -12.348 -7.070) 15.098 30.492 ( 3.122 1.894 15.323) 15.752 30.705 ( -4.102 -21.838 7.470) 23.442 32.232 ( 2.413 -0.561 -9.151) 9.480 32.396 ( -3.667 -5.485 -10.435) 12.346 34.395 ( 4.968 -8.310 1.211) 9.757 34.675 ( -5.093 -8.023 -3.197) 10.026 36.007 ( 6.113 31.635 -7.071) 32.987 36.458 ( -5.633 25.922 -15.445) 30.696======================= Grid point 182 (66/126) =======================q-point: (-0.50 0.27 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 0.000 19.461 10.447) 22.088 1.998 ( 0.000 26.971 -1.595) 27.018 2.518 ( -0.000 25.130 -2.972) 25.305 2.731 ( 0.000 6.783 13.141) 14.789 3.378 ( 0.000 16.821 -4.106) 17.315 3.528 ( -0.000 12.711 3.757) 13.255 3.949 ( -0.000 32.630 0.929) 32.643 3.952 ( 0.000 6.997 8.226) 10.799 4.082 ( 0.000 24.834 29.340) 38.439 5.084 ( -0.000 -7.965 37.772) 38.603 5.770 ( 0.000 -22.295 6.848) 23.323 6.086 ( -0.000 -20.153 6.408) 21.147 6.372 ( 0.000 -20.453 -3.998) 20.840 6.845 ( 0.000 -12.024 3.927) 12.649 7.562 ( 0.000 -7.232 -3.791) 8.166 7.789 ( 0.000 -4.891 2.459) 5.474 8.104 ( 0.000 12.344 -5.541) 13.531 8.485 ( 0.000 0.751 -3.729) 3.804 8.996 ( 0.000 -12.399 -1.881) 12.541 9.988 ( 0.000 -8.616 8.368) 12.010 10.152 ( 0.000 8.627 -7.033) 11.131 10.612 ( 0.000 2.184 -5.962) 6.350 11.042 ( -0.000 0.738 -6.010) 6.055 11.052 ( 0.000 3.526 0.830) 3.623 11.205 ( 0.000 -1.747 -9.594) 9.752 11.687 ( 0.000 0.494 -10.617) 10.629 13.274 ( 0.000 3.156 6.352) 7.092 13.297 ( 0.000 0.639 13.046) 13.062 13.880 ( -0.000 -7.713 -3.278) 8.380 14.009 ( 0.000 -12.385 -0.791) 12.410 14.628 ( 0.000 -7.555 -15.391) 17.146 14.889 ( 0.000 10.108 -10.787) 14.783 15.245 ( 0.000 -11.254 -16.103) 19.646 15.362 ( -0.000 10.451 -11.507) 15.545 17.636 ( 0.000 2.544 19.587) 19.752 18.333 ( 0.000 -6.610 17.484) 18.692 19.063 ( 0.000 0.182 -0.547) 0.576 19.117 ( -0.000 2.477 -2.401) 3.450 19.810 ( 0.000 -1.020 20.796) 20.821 19.925 ( 0.000 -1.147 24.534) 24.561 23.011 ( 0.000 3.701 -21.284) 21.603 23.171 ( 0.000 2.120 -20.430) 20.540 27.730 ( 0.000 -6.231 22.213) 23.070 27.780 ( -0.000 -6.725 22.064) 23.066 29.804 ( -0.000 -14.525 -12.292) 19.028 29.988 ( 0.000 -11.485 -8.868) 14.510 30.554 ( -0.000 -2.582 14.920) 15.142 30.630 ( 0.000 -13.970 9.888) 17.116 32.287 ( 0.000 -2.405 -8.985) 9.302 32.325 ( -0.000 -3.869 -10.283) 10.986 34.489 ( 0.000 -7.467 -0.948) 7.527 34.579 ( -0.000 -8.365 -0.699) 8.395 36.103 ( -0.000 32.833 -10.755) 34.550 36.367 ( 0.000 24.435 -11.931) 27.192======================= Grid point 185 (67/126) =======================q-point: ( 0.00 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.398 ( 0.000 22.240 -4.207) 22.635 2.646 ( 0.000 5.542 1.336) 5.701 2.898 ( 0.000 -4.431 6.356) 7.748 3.111 ( 0.000 21.671 7.230) 22.845 3.222 ( 0.000 19.876 9.267) 21.930 3.786 ( 0.000 26.605 3.260) 26.804 4.177 ( 0.000 15.617 19.285) 24.816 4.329 ( 0.000 10.622 21.499) 23.980 4.531 ( 0.000 -20.260 25.655) 32.690 4.660 ( 0.000 26.958 3.953) 27.246 5.533 ( 0.000 -15.318 -3.108) 15.630 5.758 ( 0.000 -17.118 5.213) 17.894 6.303 ( 0.000 -22.246 1.733) 22.314 6.352 ( 0.000 -14.884 3.610) 15.316 7.417 ( 0.000 11.915 -13.151) 17.746 7.678 ( 0.000 0.510 -0.603) 0.789 8.305 ( 0.000 -2.550 6.419) 6.907 8.371 ( 0.000 -5.435 6.249) 8.282 8.912 ( 0.000 -11.601 -8.569) 14.423 10.040 ( 0.000 4.386 0.303) 4.397 10.157 ( 0.000 4.812 -0.275) 4.820 10.692 ( 0.000 -6.878 -5.213) 8.630 10.828 ( 0.000 5.164 0.866) 5.236 11.176 ( 0.000 6.492 -7.846) 10.184 11.467 ( 0.000 -7.197 -4.041) 8.253 11.510 ( 0.000 -3.640 -11.078) 11.661 13.117 ( 0.000 -2.268 5.055) 5.541 13.440 ( 0.000 -7.280 6.319) 9.639 13.508 ( 0.000 10.703 7.155) 12.874 14.288 ( 0.000 -11.873 0.449) 11.881 14.412 ( 0.000 -1.281 -18.105) 18.151 14.853 ( 0.000 -13.286 -15.622) 20.508 15.082 ( 0.000 13.569 -9.698) 16.679 15.575 ( 0.000 7.082 -11.812) 13.772 17.798 ( 0.000 -12.605 18.213) 22.149 18.158 ( 0.000 9.069 17.249) 19.488 18.866 ( 0.000 -5.779 0.679) 5.818 19.262 ( 0.000 7.403 1.586) 7.571 19.826 ( 0.000 -1.708 22.306) 22.371 19.924 ( 0.000 -0.570 20.216) 20.224 23.094 ( 0.000 2.092 -21.147) 21.250 23.179 ( 0.000 1.751 -22.108) 22.177 27.570 ( 0.000 0.080 19.701) 19.701 27.736 ( 0.000 -11.027 22.004) 24.613 29.484 ( 0.000 0.227 -10.299) 10.301 29.794 ( 0.000 -19.668 -12.987) 23.569 30.463 ( 0.000 -5.481 15.980) 16.894 30.548 ( 0.000 4.411 14.935) 15.573 32.257 ( 0.000 3.922 -8.948) 9.770 32.327 ( 0.000 -4.555 -10.538) 11.480 34.177 ( 0.000 -7.322 1.622) 7.500 34.540 ( 0.000 -10.039 -4.225) 10.892 36.454 ( 0.000 20.240 -2.885) 20.445 36.935 ( 0.000 15.629 -12.375) 19.935======================= Grid point 186 (68/126) =======================q-point: ( 0.25 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.284 ( -12.702 20.192 -1.101) 23.880 2.502 ( -5.175 11.330 6.032) 13.840 2.901 ( 0.568 9.558 6.770) 11.726 2.995 ( -1.476 22.835 0.513) 22.888 3.550 ( 14.979 7.278 8.594) 18.740 3.779 ( -0.449 23.569 -0.623) 23.582 4.113 ( -5.156 11.576 22.938) 26.205 4.367 ( 3.098 11.221 13.213) 17.610 4.627 ( 8.018 6.898 20.182) 22.786 4.766 ( 9.371 9.048 8.642) 15.632 5.474 ( -5.178 -12.315 7.748) 15.443 5.685 ( -6.324 -23.530 4.717) 24.817 6.121 ( -10.962 -16.797 0.117) 20.058 6.433 ( 3.305 -22.808 4.779) 23.537 7.467 ( 4.199 8.199 -7.992) 12.196 7.733 ( 1.984 -2.310 -0.483) 3.084 8.214 ( 0.666 -0.246 -0.378) 0.805 8.515 ( 4.140 3.102 -0.019) 5.173 8.845 ( -3.899 -11.594 -4.081) 12.894 9.862 ( -10.060 -5.588 4.790) 12.465 10.300 ( 6.875 9.610 -4.462) 12.630 10.679 ( -1.369 -1.012 -6.231) 6.459 10.884 ( 5.783 0.500 1.432) 5.979 11.165 ( -1.617 4.916 -6.162) 8.046 11.323 ( -7.740 -2.297 -6.426) 10.319 11.612 ( 4.182 -4.734 -9.362) 11.294 13.198 ( 6.392 -2.566 7.250) 10.000 13.433 ( -5.304 7.220 5.893) 10.724 13.497 ( 6.107 -6.928 4.682) 10.354 14.089 ( -16.216 -11.975 -0.121) 20.159 14.481 ( 5.178 -0.395 -17.937) 18.674 14.947 ( 6.092 -12.236 -15.279) 20.501 15.111 ( 2.320 13.555 -9.441) 16.681 15.553 ( -1.902 6.358 -11.703) 13.454 17.737 ( -4.515 -3.465 18.653) 19.502 18.154 ( -0.433 -3.120 17.465) 17.746 18.961 ( 7.966 -1.786 0.413) 8.174 19.239 ( -2.517 5.799 0.459) 6.339 19.817 ( -0.742 -0.648 21.886) 21.908 19.914 ( -0.773 -0.843 21.932) 21.962 23.088 ( -0.417 2.881 -21.676) 21.871 23.187 ( 0.617 0.946 -21.545) 21.574 27.588 ( 1.747 -1.194 19.964) 20.076 27.707 ( -2.586 -8.854 21.531) 23.424 29.521 ( 3.175 -3.460 -10.868) 11.839 29.767 ( -2.335 -17.024 -12.366) 21.171 30.475 ( 1.034 -4.363 15.436) 16.074 30.542 ( -0.589 2.476 15.292) 15.503 32.264 ( 0.670 3.175 -9.062) 9.626 32.313 ( -1.169 -2.805 -10.330) 10.768 34.229 ( 4.853 -7.749 0.783) 9.176 34.489 ( -4.778 -9.784 -3.212) 11.352 36.520 ( 6.103 19.934 -4.463) 21.319 36.871 ( -5.929 15.817 -10.953) 20.132======================= Grid point 187 (69/126) =======================q-point: (-0.50 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.110 ( 0.000 21.237 6.382) 22.175 2.467 ( 0.000 15.663 -0.434) 15.669 2.911 ( -0.000 14.878 8.345) 17.058 2.989 ( 0.000 22.006 -0.998) 22.029 3.713 ( -0.000 4.771 11.185) 12.160 3.761 ( 0.000 21.749 -2.942) 21.947 4.048 ( 0.000 12.519 19.040) 22.787 4.403 ( 0.000 3.524 9.569) 10.197 4.747 ( 0.000 32.783 9.624) 34.167 4.906 ( 0.000 -0.970 13.997) 14.030 5.396 ( -0.000 -15.101 21.686) 26.426 5.587 ( 0.000 -29.223 4.866) 29.625 5.990 ( -0.000 -17.866 -1.003) 17.894 6.468 ( 0.000 -24.408 4.943) 24.904 7.535 ( 0.000 3.216 -5.430) 6.311 7.715 ( -0.000 -2.434 2.840) 3.740 8.326 ( 0.000 7.152 -8.326) 10.976 8.453 ( -0.000 -3.721 -8.477) 9.258 8.839 ( -0.000 -0.361 2.434) 2.460 9.741 ( 0.000 -15.080 7.495) 16.840 10.373 ( 0.000 11.544 -6.214) 13.110 10.657 ( 0.000 2.121 -6.509) 6.845 11.016 ( 0.000 -1.495 -0.593) 1.609 11.082 ( -0.000 -0.539 1.052) 1.182 11.244 ( 0.000 4.542 -11.044) 11.942 11.654 ( 0.000 -4.020 -9.183) 10.025 13.301 ( -0.000 0.289 11.908) 11.912 13.333 ( 0.000 2.759 4.359) 5.158 13.722 ( -0.000 -7.968 -1.317) 8.076 13.758 ( 0.000 -12.079 2.245) 12.286 14.545 ( 0.000 0.099 -17.739) 17.739 15.015 ( 0.000 -11.645 -15.716) 19.560 15.143 ( 0.000 13.941 -9.405) 16.817 15.526 ( -0.000 5.383 -11.438) 12.642 17.682 ( 0.000 2.589 19.121) 19.296 18.148 ( 0.000 -10.987 17.722) 20.851 19.096 ( 0.000 2.798 0.303) 2.815 19.172 ( 0.000 2.274 -0.875) 2.436 19.807 ( 0.000 0.628 21.246) 21.255 19.904 ( 0.000 -1.222 23.863) 23.894 23.083 ( 0.000 3.493 -22.077) 22.351 23.194 ( 0.000 0.317 -21.110) 21.112 27.625 ( 0.000 -4.112 20.676) 21.081 27.660 ( -0.000 -5.089 20.616) 21.234 29.568 ( -0.000 -8.738 -11.872) 14.741 29.731 ( 0.000 -12.745 -11.309) 17.039 30.491 ( 0.000 -2.115 14.389) 14.543 30.531 ( -0.000 -0.585 16.146) 16.157 32.279 ( 0.000 1.160 -8.947) 9.022 32.292 ( -0.000 0.210 -10.355) 10.357 34.328 ( 0.000 -7.957 -1.186) 8.045 34.391 ( -0.000 -9.748 -1.080) 9.808 36.635 ( -0.000 20.644 -7.655) 22.018 36.758 ( 0.000 14.999 -7.903) 16.954======================= Grid point 190 (70/126) =======================q-point: ( 0.00 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( 0.000 2.540 5.319) 5.894 2.730 ( 0.000 -5.380 9.835) 11.210 2.785 ( 0.000 8.517 -9.901) 13.060 3.578 ( 0.000 15.740 -1.010) 15.772 3.643 ( 0.000 21.806 10.715) 24.296 4.069 ( 0.000 -17.868 17.638) 25.107 4.330 ( 0.000 2.884 34.500) 34.621 4.377 ( 0.000 22.892 1.747) 22.959 4.494 ( 0.000 3.516 10.316) 10.898 5.033 ( 0.000 -26.781 1.195) 26.808 5.045 ( 0.000 10.665 4.585) 11.609 5.617 ( 0.000 -3.234 9.587) 10.118 5.962 ( 0.000 -10.075 3.221) 10.577 6.144 ( 0.000 -5.177 1.071) 5.287 7.623 ( 0.000 6.844 -13.862) 15.460 7.696 ( 0.000 0.771 1.262) 1.480 8.242 ( 0.000 -2.375 8.227) 8.563 8.290 ( 0.000 -2.323 7.647) 7.992 8.714 ( 0.000 -6.605 -14.608) 16.032 10.142 ( 0.000 4.019 -2.193) 4.579 10.224 ( 0.000 1.807 0.530) 1.883 10.594 ( 0.000 -2.677 -5.465) 6.085 10.904 ( 0.000 2.264 2.942) 3.713 11.295 ( 0.000 5.191 -7.934) 9.482 11.326 ( 0.000 -5.158 0.855) 5.229 11.426 ( 0.000 -4.400 -13.510) 14.209 13.093 ( 0.000 -0.426 4.259) 4.280 13.325 ( 0.000 -3.447 7.057) 7.854 13.719 ( 0.000 9.400 9.305) 13.227 14.055 ( 0.000 -10.091 -0.409) 10.099 14.459 ( 0.000 5.605 -18.341) 19.178 14.618 ( 0.000 -10.185 -17.440) 20.196 15.303 ( 0.000 6.925 -7.909) 10.512 15.663 ( 0.000 1.860 -13.963) 14.086 17.611 ( 0.000 -5.385 20.666) 21.356 18.284 ( 0.000 3.310 17.301) 17.615 18.785 ( 0.000 -2.191 -0.120) 2.195 19.369 ( 0.000 3.048 -0.142) 3.051 19.795 ( 0.000 -1.093 24.549) 24.573 19.917 ( 0.000 -0.152 20.566) 20.566 23.122 ( 0.000 0.711 -21.569) 21.581 23.202 ( 0.000 0.627 -22.404) 22.413 27.572 ( 0.000 0.086 19.968) 19.968 27.593 ( 0.000 -3.550 19.225) 19.550 29.485 ( 0.000 -0.032 -9.792) 9.792 29.507 ( 0.000 -7.831 -12.123) 14.433 30.412 ( 0.000 -0.883 16.340) 16.364 30.615 ( 0.000 1.935 14.546) 14.675 32.264 ( 0.000 -1.648 -10.335) 10.466 32.329 ( 0.000 2.417 -9.335) 9.643 34.071 ( 0.000 -2.919 1.244) 3.173 34.382 ( 0.000 -4.741 -3.462) 5.871 36.725 ( 0.000 6.988 -1.812) 7.219 37.141 ( 0.000 5.232 -9.276) 10.649======================= Grid point 191 (71/126) =======================q-point: ( 0.25 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.520 ( -6.438 2.183 4.389) 8.092 2.653 ( -6.970 7.777 -5.283) 11.704 3.022 ( 17.232 1.555 7.238) 18.755 3.487 ( -4.104 23.566 4.890) 24.415 3.733 ( 1.811 9.424 8.496) 12.817 4.068 ( -1.453 -22.560 16.282) 27.860 4.244 ( -1.585 21.686 1.129) 21.773 4.390 ( 3.534 9.299 28.851) 30.518 4.777 ( 16.537 5.641 8.027) 19.228 4.939 ( -3.185 -13.618 2.742) 14.252 5.143 ( 5.338 -5.346 7.530) 10.667 5.552 ( -6.494 6.853 9.163) 13.157 5.860 ( -12.263 -8.073 -0.146) 14.682 6.010 ( -6.600 -17.265 5.574) 19.306 7.616 ( 0.045 5.699 -5.796) 8.129 7.699 ( -0.643 -1.554 0.647) 1.802 8.200 ( 3.631 -0.843 -1.268) 3.937 8.563 ( -0.496 1.132 -7.652) 7.751 8.666 ( 13.701 -4.896 1.656) 14.643 9.774 ( -22.451 -2.792 1.686) 22.686 10.476 ( 10.285 7.308 -4.670) 13.453 10.631 ( 3.330 -3.354 -6.035) 7.665 10.909 ( 1.562 1.050 3.548) 4.016 11.208 ( -7.540 -0.686 0.384) 7.581 11.344 ( 1.727 5.118 -9.093) 10.576 11.487 ( 3.853 -7.064 -10.264) 13.042 13.166 ( 6.894 -0.699 5.047) 8.572 13.381 ( 5.930 -3.387 5.347) 8.674 13.585 ( -10.945 6.650 7.001) 14.596 13.873 ( -14.483 -8.595 -0.653) 16.854 14.547 ( 6.170 6.529 -17.212) 19.416 14.719 ( 6.638 -10.435 -15.922) 20.161 15.340 ( 3.455 7.716 -8.332) 11.870 15.618 ( -4.092 0.569 -12.879) 13.525 17.662 ( 5.008 -2.665 19.870) 20.664 18.116 ( -12.354 -0.948 16.422) 20.572 18.946 ( 11.882 -0.117 1.172) 11.940 19.321 ( -4.775 2.256 -0.019) 5.282 19.808 ( 1.282 -0.204 23.996) 24.031 19.900 ( -1.589 -0.479 21.415) 21.479 23.132 ( 0.847 1.306 -21.769) 21.825 23.195 ( -0.663 0.028 -22.170) 22.180 27.573 ( 0.035 -0.361 19.780) 19.783 27.590 ( -0.291 -3.015 19.336) 19.571 29.476 ( -0.472 -1.010 -10.884) 10.940 29.521 ( 0.867 -6.846 -11.362) 13.294 30.435 ( 2.285 -0.618 16.210) 16.382 30.580 ( -3.179 1.098 14.943) 15.317 32.280 ( 1.402 -0.689 -10.219) 10.338 32.326 ( -0.408 2.118 -9.538) 9.779 34.115 ( 4.118 -3.234 0.638) 5.275 34.335 ( -4.405 -4.609 -2.652) 6.905 36.787 ( 5.721 6.817 -2.984) 9.387 37.081 ( -5.650 5.373 -8.217) 11.327======================= Grid point 192 (72/126) =======================q-point: (-0.50 0.45 0.25)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( 0.000 11.587 0.864) 11.619 2.574 ( 0.000 -1.778 -0.619) 1.883 3.297 ( -0.000 18.604 5.938) 19.528 3.391 ( 0.000 15.379 3.465) 15.765 3.729 ( -0.000 1.233 15.437) 15.486 4.035 ( 0.000 -18.914 9.190) 21.028 4.279 ( -0.000 19.253 10.770) 22.061 4.401 ( 0.000 17.333 15.697) 23.384 4.926 ( 0.000 -10.787 4.692) 11.763 4.979 ( -0.000 -25.074 2.142) 25.166 5.314 ( 0.000 11.139 16.400) 19.826 5.349 ( -0.000 22.502 9.083) 24.266 5.675 ( 0.000 -11.700 1.801) 11.838 5.950 ( 0.000 -26.499 4.246) 26.837 7.624 ( 0.000 4.413 -2.221) 4.941 7.682 ( -0.000 -1.633 1.508) 2.223 8.350 ( 0.000 -1.362 -8.221) 8.333 8.369 ( -0.000 -3.542 -9.358) 10.006 9.033 ( -0.000 16.903 2.919) 17.153 9.400 ( 0.000 -18.812 4.482) 19.339 10.578 ( 0.000 8.311 -6.424) 10.504 10.674 ( 0.000 -1.327 -6.880) 7.007 11.007 ( 0.000 0.664 3.047) 3.119 11.043 ( -0.000 -2.667 2.565) 3.700 11.368 ( 0.000 7.767 -10.360) 12.948 11.531 ( 0.000 -7.981 -8.718) 11.820 13.330 ( -0.000 2.825 8.163) 8.638 13.372 ( 0.000 0.303 4.485) 4.496 13.571 ( -0.000 -5.246 2.238) 5.704 13.585 ( 0.000 -5.141 -0.016) 5.141 14.621 ( 0.000 6.871 -16.481) 17.856 14.795 ( 0.000 -10.329 -15.556) 18.673 15.400 ( 0.000 11.135 -9.846) 14.864 15.550 ( -0.000 -3.357 -10.790) 11.300 17.764 ( 0.000 6.246 18.261) 19.300 17.931 ( 0.000 -10.245 17.610) 20.374 19.156 ( -0.000 2.792 0.878) 2.927 19.191 ( 0.000 -0.486 0.489) 0.689 19.832 ( 0.000 1.831 22.380) 22.454 19.872 ( 0.000 -1.985 23.268) 23.352 23.145 ( 0.000 2.630 -22.159) 22.314 23.184 ( -0.000 -1.301 -21.745) 21.784 27.573 ( 0.000 -1.016 19.515) 19.541 27.586 ( -0.000 -2.273 19.522) 19.654 29.471 ( 0.000 -0.968 -11.366) 11.407 29.531 ( 0.000 -6.875 -11.204) 13.146 30.489 ( 0.000 1.100 15.397) 15.437 30.515 ( -0.000 -1.183 16.018) 16.062 32.308 ( 0.000 1.180 -9.612) 9.684 32.310 ( -0.000 0.894 -10.235) 10.274 34.212 ( 0.000 -2.908 -0.912) 3.047 34.234 ( 0.000 -5.119 -0.904) 5.198 36.917 ( -0.000 7.907 -5.648) 9.717 36.951 ( 0.000 4.255 -5.661) 7.082======================= Grid point 220 (73/126) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.401 ( 0.000 0.000 11.876) 11.876 1.425 ( 0.000 0.000 26.170) 26.170 1.586 ( 0.000 0.000 4.716) 4.716 2.167 ( 0.000 0.000 5.215) 5.215 2.384 ( 0.000 0.000 0.242) 0.242 2.612 ( 0.000 0.000 -0.277) 0.277 2.705 ( 0.000 0.000 -8.234) 8.234 3.288 ( 0.000 0.000 -15.737) 15.737 5.099 ( 0.000 0.000 41.872) 41.872 6.093 ( 0.000 0.000 39.322) 39.322 6.255 ( 0.000 0.000 10.400) 10.400 6.953 ( 0.000 0.000 1.401) 1.401 7.125 ( 0.000 0.000 -9.900) 9.900 7.366 ( 0.000 0.000 6.040) 6.040 7.672 ( 0.000 0.000 8.339) 8.339 7.735 ( 0.000 0.000 2.641) 2.641 8.088 ( 0.000 0.000 -4.731) 4.731 8.280 ( 0.000 0.000 -14.651) 14.651 9.547 ( 0.000 0.000 -1.409) 1.409 9.784 ( 0.000 0.000 2.094) 2.094 10.039 ( 0.000 0.000 -1.844) 1.844 10.587 ( 0.000 0.000 0.596) 0.596 10.800 ( 0.000 0.000 -9.238) 9.238 10.978 ( 0.000 0.000 -0.927) 0.927 11.202 ( 0.000 0.000 -12.806) 12.806 11.457 ( 0.000 0.000 -6.294) 6.294 13.248 ( 0.000 0.000 4.733) 4.733 13.477 ( 0.000 0.000 0.976) 0.976 13.559 ( 0.000 0.000 -5.462) 5.462 14.188 ( 0.000 0.000 -5.046) 5.046 14.335 ( 0.000 0.000 -15.402) 15.402 14.788 ( 0.000 0.000 -7.993) 7.993 15.140 ( 0.000 0.000 -2.767) 2.767 15.409 ( 0.000 0.000 -11.046) 11.046 17.776 ( 0.000 0.000 13.919) 13.919 18.470 ( 0.000 0.000 -3.733) 3.733 18.808 ( 0.000 0.000 7.042) 7.042 19.378 ( 0.000 0.000 -4.312) 4.312 20.429 ( 0.000 0.000 27.485) 27.485 20.672 ( 0.000 0.000 24.201) 24.201 22.502 ( 0.000 0.000 -21.979) 21.979 22.571 ( 0.000 0.000 -22.356) 22.356 27.944 ( 0.000 0.000 17.501) 17.501 29.149 ( 0.000 0.000 -13.606) 13.606 29.939 ( 0.000 0.000 7.635) 7.635 30.397 ( 0.000 0.000 2.665) 2.665 30.689 ( 0.000 0.000 18.440) 18.440 32.114 ( 0.000 0.000 -16.344) 16.344 32.402 ( 0.000 0.000 -16.850) 16.850 32.557 ( 0.000 0.000 -10.143) 10.143 34.195 ( 0.000 0.000 -0.507) 0.507 34.219 ( 0.000 0.000 -0.972) 0.972 34.727 ( 0.000 0.000 2.835) 2.835 34.814 ( 0.000 0.000 -0.088) 0.088======================= Grid point 221 (74/126) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.949 ( -16.073 0.000 3.087) 16.367 1.317 ( -11.048 0.000 2.742) 11.383 2.062 ( 10.586 0.000 8.943) 13.858 2.131 ( -7.157 0.000 3.110) 7.804 2.341 ( -9.362 0.000 -3.074) 9.853 2.412 ( 1.117 0.000 0.837) 1.396 2.729 ( 21.542 0.000 10.028) 23.761 3.713 ( 13.512 0.000 -8.609) 16.022 4.945 ( -2.655 0.000 36.877) 36.973 5.890 ( -20.215 0.000 31.551) 37.472 6.403 ( 11.670 0.000 10.791) 15.894 6.922 ( -6.704 0.000 0.031) 6.704 7.062 ( -4.812 0.000 -5.358) 7.201 7.212 ( -8.445 0.000 4.455) 9.548 7.601 ( 0.315 0.000 3.036) 3.052 7.982 ( 1.842 0.000 -2.849) 3.392 8.002 ( 12.410 0.000 8.304) 14.931 8.517 ( 9.866 0.000 -6.232) 11.669 9.563 ( 1.295 0.000 -2.050) 2.425 9.669 ( -7.172 0.000 -0.721) 7.208 10.151 ( 9.383 0.000 -2.644) 9.749 10.637 ( 4.605 0.000 0.436) 4.625 10.712 ( -10.264 0.000 -13.645) 17.074 10.876 ( -7.207 0.000 3.330) 7.939 11.238 ( 3.232 0.000 -11.421) 11.870 11.405 ( -4.251 0.000 -7.312) 8.458 13.247 ( 0.506 0.000 2.504) 2.554 13.405 ( -5.938 0.000 -0.087) 5.939 13.722 ( 14.011 0.000 -5.271) 14.970 14.232 ( -4.598 0.000 -0.163) 4.601 14.330 ( 7.106 0.000 -17.773) 19.141 14.722 ( -6.445 0.000 -8.042) 10.306 15.197 ( 5.069 0.000 -4.341) 6.674 15.386 ( -2.414 0.000 -10.036) 10.323 17.835 ( 5.884 0.000 12.469) 13.788 18.275 ( -13.798 0.000 2.581) 14.037 18.979 ( 11.567 0.000 1.852) 11.714 19.331 ( -4.711 0.000 -3.586) 5.920 20.449 ( 2.021 0.000 27.526) 27.600 20.617 ( -4.816 0.000 25.526) 25.976 22.517 ( 1.310 0.000 -22.169) 22.207 22.565 ( -0.579 0.000 -22.390) 22.398 28.071 ( 12.291 0.000 18.090) 21.870 28.881 ( -22.180 0.000 6.689) 23.167 30.004 ( 7.254 0.000 -6.950) 10.046 30.342 ( -5.421 0.000 -0.212) 5.425 31.006 ( 25.251 0.000 9.285) 26.904 31.939 ( -15.672 0.000 -15.549) 22.077 32.448 ( 3.173 0.000 -14.146) 14.497 32.543 ( -1.332 0.000 -10.412) 10.497 34.200 ( 0.439 0.000 -0.357) 0.566 34.217 ( -0.244 0.000 -0.668) 0.712 34.738 ( 1.087 0.000 2.246) 2.495 34.800 ( -1.302 0.000 0.195) 1.316======================= Grid point 222 (75/126) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( -12.421 0.000 -10.056) 15.981 0.974 ( 12.421 0.000 -10.056) 15.981 2.064 ( -0.303 0.000 5.669) 5.677 2.064 ( 0.303 0.000 5.669) 5.677 2.356 ( -2.133 0.000 0.489) 2.188 2.356 ( 2.133 0.000 0.489) 2.188 3.407 ( -33.721 0.000 13.101) 36.177 3.407 ( 33.721 0.000 13.101) 36.177 5.328 ( -23.237 0.000 21.944) 31.961 5.328 ( 23.237 0.000 21.944) 31.961 6.662 ( -13.665 0.000 6.107) 14.968 6.662 ( 13.665 0.000 6.107) 14.968 7.082 ( -3.778 0.000 2.256) 4.401 7.082 ( 3.778 0.000 2.256) 4.401 7.762 ( -9.812 0.000 -0.352) 9.818 7.762 ( 9.812 0.000 -0.352) 9.818 8.438 ( -13.285 0.000 5.480) 14.371 8.438 ( 13.285 0.000 5.480) 14.371 9.588 ( -0.145 0.000 -3.264) 3.267 9.588 ( 0.145 0.000 -3.264) 3.267 10.413 ( -16.112 0.000 -9.218) 18.563 10.413 ( 16.112 0.000 -9.218) 18.563 10.749 ( -3.704 0.000 1.712) 4.081 10.749 ( 3.704 0.000 1.712) 4.081 11.317 ( -2.428 0.000 -9.458) 9.764 11.317 ( 2.428 0.000 -9.458) 9.764 13.292 ( -4.274 0.000 0.284) 4.284 13.292 ( 4.274 0.000 0.284) 4.284 14.023 ( -13.796 0.000 -5.910) 15.009 14.023 ( 13.796 0.000 -5.910) 15.009 14.542 ( -6.536 0.000 -9.044) 11.159 14.542 ( 6.536 0.000 -9.044) 11.159 15.308 ( -1.771 0.000 -7.436) 7.644 15.308 ( 1.771 0.000 -7.436) 7.644 18.012 ( -5.527 0.000 8.414) 10.067 18.012 ( 5.527 0.000 8.414) 10.067 19.191 ( -8.811 0.000 -1.552) 8.946 19.191 ( 8.811 0.000 -1.552) 8.946 20.515 ( -3.014 0.000 27.155) 27.322 20.515 ( 3.014 0.000 27.155) 27.322 22.546 ( -0.295 0.000 -22.383) 22.385 22.546 ( 0.295 0.000 -22.383) 22.385 28.418 ( -21.365 0.000 17.474) 27.601 28.418 ( 21.365 0.000 17.474) 27.601 30.188 ( -9.428 0.000 -6.887) 11.676 30.188 ( 9.428 0.000 -6.887) 11.676 31.528 ( -18.095 0.000 -6.848) 19.347 31.528 ( 18.095 0.000 -6.848) 19.347 32.505 ( -1.862 0.000 -11.527) 11.676 32.505 ( 1.862 0.000 -11.527) 11.676 34.210 ( -0.009 0.000 -0.285) 0.285 34.210 ( 0.009 0.000 -0.285) 0.285 34.768 ( -0.834 0.000 1.067) 1.354 34.768 ( 0.834 0.000 1.067) 1.354======================= Grid point 225 (76/126) =======================q-point: ( 0.00 0.09 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 0.000 2.530 9.029) 9.377 1.622 ( 0.000 18.264 23.612) 29.851 1.774 ( 0.000 15.246 3.890) 15.735 2.446 ( 0.000 26.011 4.834) 26.456 2.605 ( 0.000 2.175 -0.823) 2.326 2.625 ( 0.000 22.711 -0.391) 22.714 2.832 ( 0.000 10.105 -4.523) 11.071 3.344 ( 0.000 5.258 -14.498) 15.422 5.023 ( 0.000 -6.834 41.350) 41.911 6.001 ( 0.000 -8.139 33.688) 34.658 6.182 ( 0.000 -8.278 11.396) 14.086 6.888 ( 0.000 -6.938 1.672) 7.137 7.005 ( 0.000 -9.750 -11.591) 15.147 7.305 ( 0.000 -6.331 7.350) 9.701 7.580 ( 0.000 -7.520 7.395) 10.547 7.878 ( 0.000 -12.560 -7.398) 14.577 7.907 ( 0.000 13.250 5.204) 14.235 8.438 ( 0.000 8.081 -9.470) 12.450 9.530 ( 0.000 -2.783 -0.360) 2.807 9.808 ( 0.000 2.654 1.412) 3.006 10.009 ( 0.000 -2.341 -3.842) 4.499 10.585 ( 0.000 0.227 1.125) 1.147 10.797 ( 0.000 -0.297 -11.584) 11.588 10.969 ( 0.000 -0.991 0.798) 1.272 11.242 ( 0.000 3.786 -12.374) 12.941 11.452 ( 0.000 -0.455 -6.167) 6.184 13.249 ( 0.000 0.564 5.093) 5.124 13.438 ( 0.000 -3.518 0.528) 3.557 13.572 ( 0.000 0.887 -4.814) 4.895 14.240 ( 0.000 4.958 -9.359) 10.591 14.382 ( 0.000 4.186 -10.971) 11.742 14.848 ( 0.000 5.883 -7.984) 9.918 14.985 ( 0.000 -13.808 -2.599) 14.051 15.357 ( 0.000 -6.275 -11.697) 13.274 17.837 ( 0.000 6.241 14.543) 15.826 18.578 ( 0.000 9.904 -4.113) 10.725 18.743 ( 0.000 -6.375 7.722) 10.014 19.322 ( 0.000 -5.477 -3.865) 6.703 20.416 ( 0.000 -1.258 27.827) 27.855 20.608 ( 0.000 -5.599 26.039) 26.634 22.519 ( 0.000 1.637 -22.398) 22.457 22.593 ( 0.000 1.978 -23.142) 23.226 27.943 ( 0.000 -0.100 17.800) 17.800 29.164 ( 0.000 1.400 -13.660) 13.732 29.625 ( 0.000 -27.268 14.940) 31.093 30.371 ( 0.000 -3.036 0.843) 3.151 30.696 ( 0.000 0.778 18.383) 18.399 32.052 ( 0.000 -30.467 -11.379) 32.523 32.079 ( 0.000 -3.074 -15.202) 15.510 32.471 ( 0.000 -6.866 -11.604) 13.483 34.412 ( 0.000 30.193 1.122) 30.214 34.678 ( 0.000 -4.586 2.880) 5.415 34.784 ( 0.000 38.024 -9.887) 39.288 34.817 ( 0.000 -0.409 -1.248) 1.313======================= Grid point 226 (77/126) =======================q-point: ( 0.25 0.09 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( -15.061 15.851 2.060) 21.962 1.412 ( -7.854 9.541 5.720) 13.617 2.039 ( -5.551 1.537 3.959) 6.990 2.405 ( -2.518 21.826 2.548) 22.118 2.534 ( -1.366 21.904 0.336) 21.949 2.683 ( -2.939 22.398 -1.293) 22.627 2.785 ( 22.858 5.932 11.489) 26.262 3.660 ( 9.658 -4.948 -7.566) 13.229 4.930 ( -1.331 -1.623 36.997) 37.057 5.856 ( -13.877 -2.824 28.484) 31.811 6.317 ( 11.267 -9.160 9.894) 17.571 6.856 ( -7.178 -6.934 -0.750) 10.008 6.970 ( -2.775 -8.963 -5.530) 10.891 7.156 ( -8.021 -4.821 7.787) 12.175 7.581 ( 4.863 -1.682 5.233) 7.339 7.922 ( 4.695 -5.903 -3.686) 8.395 8.088 ( 6.881 7.145 5.383) 11.286 8.471 ( 3.538 -3.810 -5.113) 7.292 9.484 ( -4.818 -6.752 -0.365) 8.303 9.729 ( -2.994 4.681 -1.772) 5.832 10.145 ( 10.216 -0.801 -3.848) 10.946 10.592 ( -2.037 -2.928 -2.333) 4.262 10.744 ( -3.766 2.485 -10.735) 11.644 10.909 ( -4.078 2.614 3.266) 5.842 11.246 ( 0.099 0.636 -10.577) 10.596 11.406 ( -3.129 0.359 -8.012) 8.609 13.255 ( 1.165 1.190 3.268) 3.668 13.414 ( -4.523 0.859 0.765) 4.667 13.701 ( 13.903 -2.196 -5.220) 15.012 14.287 ( -8.205 4.191 -3.593) 9.889 14.337 ( 6.952 1.670 -14.318) 16.004 14.793 ( -4.992 6.600 -8.512) 11.871 15.029 ( 3.557 -14.289 -3.862) 15.223 15.349 ( -0.695 -5.323 -11.088) 12.319 17.862 ( 2.198 3.436 14.062) 14.642 18.390 ( -10.279 9.590 2.772) 14.329 18.943 ( 11.891 -3.036 1.041) 12.316 19.281 ( -4.156 -4.908 -3.361) 7.256 20.422 ( 0.643 -2.497 27.774) 27.894 20.571 ( -3.001 -3.887 27.029) 27.471 22.514 ( -0.376 0.318 -22.653) 22.659 22.606 ( 0.922 3.109 -23.023) 23.251 28.061 ( 11.466 -0.946 18.377) 21.681 28.839 ( -23.103 -4.665 9.641) 25.465 29.853 ( 14.905 -13.969 -7.654) 21.814 30.310 ( -6.050 -3.604 -2.133) 7.358 30.895 ( 17.237 -7.369 14.644) 23.788 31.781 ( -16.457 -18.080 -10.311) 26.534 32.253 ( 7.265 -13.137 -12.876) 19.777 32.445 ( -2.475 -7.710 -11.613) 14.157 34.411 ( -0.138 29.506 1.457) 29.542 34.668 ( -0.747 2.994 1.303) 3.350 34.787 ( 0.218 15.162 -4.278) 15.755 34.825 ( 0.535 15.592 -5.410) 16.513======================= Grid point 227 (78/126) =======================q-point: (-0.50 0.09 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( 0.000 12.742 -7.811) 14.946 1.236 ( -0.000 17.473 -7.098) 18.860 1.926 ( 0.000 -3.220 9.110) 9.662 2.355 ( 0.000 17.556 2.389) 17.718 2.559 ( -0.000 23.336 1.406) 23.378 2.630 ( 0.000 22.886 -0.456) 22.891 3.326 ( -0.000 -3.878 12.177) 12.779 3.486 ( 0.000 3.811 8.367) 9.194 5.049 ( 0.000 -12.508 27.995) 30.662 5.608 ( -0.000 12.896 19.816) 23.642 6.537 ( 0.000 -11.724 3.918) 12.361 6.628 ( -0.000 -4.482 7.236) 8.511 6.975 ( -0.000 -9.777 -1.025) 9.831 7.070 ( 0.000 -1.581 7.948) 8.104 7.731 ( 0.000 1.197 -1.633) 2.024 7.856 ( 0.000 4.266 -1.175) 4.425 8.232 ( 0.000 -14.260 5.597) 15.319 8.494 ( 0.000 -0.246 3.619) 3.628 9.415 ( 0.000 -9.944 -2.951) 10.373 9.709 ( 0.000 5.506 -2.411) 6.011 10.366 ( -0.000 -4.222 -6.866) 8.060 10.423 ( 0.000 0.312 -8.789) 8.794 10.737 ( -0.000 2.785 -1.912) 3.378 10.859 ( 0.000 6.579 2.143) 6.920 11.244 ( 0.000 -4.341 -7.821) 8.945 11.373 ( 0.000 2.729 -10.926) 11.262 13.307 ( -0.000 1.275 3.122) 3.372 13.315 ( 0.000 2.649 -0.534) 2.703 13.999 ( -0.000 -2.220 -3.030) 3.756 14.056 ( 0.000 1.697 -9.678) 9.826 14.452 ( -0.000 -0.978 -7.468) 7.532 14.710 ( 0.000 9.369 -10.061) 13.748 15.077 ( 0.000 -15.246 -5.224) 16.116 15.338 ( 0.000 -3.971 -10.314) 11.052 17.895 ( 0.000 -1.301 13.480) 13.542 18.271 ( 0.000 14.589 4.911) 15.393 19.140 ( -0.000 -3.764 -1.467) 4.040 19.165 ( 0.000 -3.635 -2.194) 4.246 20.434 ( 0.000 -5.025 27.488) 27.943 20.529 ( 0.000 -0.938 28.225) 28.241 22.509 ( 0.000 -0.651 -22.846) 22.855 22.617 ( 0.000 3.896 -22.962) 23.290 28.369 ( 0.000 -3.858 18.143) 18.549 28.405 ( -0.000 -2.386 18.082) 18.239 30.113 ( -0.000 -8.108 -10.064) 12.924 30.144 ( 0.000 -4.508 -7.829) 9.034 31.192 ( -0.000 -17.959 5.932) 18.913 31.505 ( 0.000 -13.103 -4.313) 13.794 32.361 ( 0.000 -11.815 -11.901) 16.770 32.383 ( -0.000 -8.554 -11.940) 14.688 34.409 ( 0.000 28.837 1.783) 28.892 34.659 ( 0.000 8.097 0.301) 8.102 34.790 ( -0.000 0.956 -0.822) 1.261 34.831 ( 0.000 25.397 -7.987) 26.624======================= Grid point 230 (79/126) =======================q-point: ( 0.00 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 0.000 13.236 5.003) 14.150 2.077 ( 0.000 26.451 18.477) 32.266 2.104 ( 0.000 16.686 -2.129) 16.821 2.742 ( 0.000 11.963 4.346) 12.728 3.070 ( 0.000 13.752 -0.842) 13.778 3.080 ( 0.000 35.345 4.258) 35.601 3.143 ( 0.000 22.017 -4.543) 22.481 3.505 ( 0.000 14.965 -6.155) 16.181 4.889 ( 0.000 -4.992 38.704) 39.024 5.802 ( 0.000 -12.591 29.152) 31.755 5.929 ( 0.000 -15.238 5.176) 16.094 6.658 ( 0.000 -16.412 1.975) 16.530 6.801 ( 0.000 -10.403 -17.143) 20.053 7.105 ( 0.000 -13.868 7.216) 15.633 7.402 ( 0.000 -9.562 13.812) 16.799 7.706 ( 0.000 -4.175 -2.241) 4.738 8.172 ( 0.000 12.163 3.223) 12.583 8.532 ( 0.000 1.467 -5.008) 5.218 9.397 ( 0.000 -10.750 1.118) 10.808 9.891 ( 0.000 5.576 -0.117) 5.577 9.966 ( 0.000 -2.026 -7.038) 7.324 10.620 ( 0.000 3.820 2.189) 4.403 10.780 ( 0.000 -2.024 -15.792) 15.921 10.944 ( 0.000 -0.957 3.846) 3.964 11.332 ( 0.000 4.654 -10.872) 11.826 11.439 ( 0.000 -1.027 -6.616) 6.695 13.294 ( 0.000 4.388 5.660) 7.161 13.351 ( 0.000 -5.047 0.869) 5.122 13.586 ( 0.000 0.564 -4.264) 4.301 14.354 ( 0.000 4.750 -21.118) 21.646 14.481 ( 0.000 6.566 2.826) 7.148 14.657 ( 0.000 -18.163 -3.100) 18.425 15.006 ( 0.000 9.517 -8.500) 12.761 15.156 ( 0.000 -13.332 -12.730) 18.434 18.017 ( 0.000 11.345 15.209) 18.974 18.569 ( 0.000 -10.740 9.625) 14.422 18.814 ( 0.000 12.853 -4.414) 13.590 19.177 ( 0.000 -8.709 -2.884) 9.174 20.386 ( 0.000 -1.523 28.601) 28.641 20.495 ( 0.000 -4.933 28.113) 28.542 22.561 ( 0.000 2.415 -23.390) 23.514 22.637 ( 0.000 2.252 -24.563) 24.666 27.942 ( 0.000 0.061 18.546) 18.546 29.036 ( 0.000 -29.398 22.351) 36.930 29.199 ( 0.000 1.966 -13.686) 13.827 30.252 ( 0.000 -10.013 -5.625) 11.485 30.724 ( 0.000 2.173 18.192) 18.322 31.407 ( 0.000 -30.482 1.512) 30.520 32.020 ( 0.000 -2.250 -13.025) 13.218 32.332 ( 0.000 -6.930 -13.296) 14.993 34.555 ( 0.000 -7.626 2.824) 8.132 34.774 ( 0.000 -4.296 -3.294) 5.413 35.144 ( 0.000 39.254 -1.830) 39.296 35.554 ( 0.000 37.755 -13.642) 40.145======================= Grid point 231 (80/126) =======================q-point: ( 0.25 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.487 ( -5.465 19.202 0.332) 19.968 1.711 ( -13.015 21.317 9.706) 26.796 2.182 ( -10.362 13.015 -0.238) 16.638 2.829 ( -11.968 18.135 0.218) 21.729 2.932 ( 17.599 12.554 9.046) 23.434 3.133 ( 3.379 31.855 2.280) 32.115 3.237 ( 2.464 28.738 0.121) 28.844 3.581 ( 3.651 2.446 -5.331) 6.909 4.881 ( -0.962 -2.952 37.556) 37.684 5.802 ( 0.532 -3.364 26.402) 26.621 6.044 ( 9.973 -16.918 5.246) 20.328 6.635 ( -4.696 -15.740 1.528) 16.496 6.729 ( -5.724 -14.328 -8.370) 17.553 7.048 ( -1.971 -6.354 8.652) 10.914 7.516 ( 12.049 -6.304 10.367) 17.099 7.790 ( 5.054 -5.085 -5.455) 9.009 8.222 ( -2.888 4.977 2.120) 6.132 8.404 ( -5.035 -2.034 -2.798) 6.109 9.309 ( -7.285 -10.783 0.706) 13.033 9.845 ( -1.302 7.120 -3.564) 8.068 10.105 ( 9.425 -3.318 -3.865) 10.713 10.555 ( -6.505 -0.655 -4.398) 7.879 10.802 ( 1.936 3.108 -9.236) 9.935 10.949 ( 1.179 1.025 2.854) 3.254 11.259 ( -6.887 0.548 -7.106) 9.911 11.427 ( -0.199 1.777 -10.267) 10.422 13.304 ( 1.453 3.543 4.399) 5.832 13.431 ( 1.416 0.568 3.609) 3.919 13.641 ( 10.335 -3.278 -5.812) 12.302 14.305 ( -9.849 -1.641 -14.541) 17.639 14.454 ( 2.425 7.557 -2.170) 8.228 14.710 ( 3.876 -15.687 -3.277) 16.488 14.949 ( -4.276 7.528 -10.862) 13.890 15.181 ( 1.435 -9.758 -11.743) 15.336 17.973 ( -3.263 6.993 16.218) 17.960 18.545 ( -1.191 3.175 7.176) 7.937 18.917 ( 7.889 2.677 -3.076) 8.880 19.150 ( -2.671 -7.668 -2.957) 8.641 20.364 ( -1.743 -2.882 28.223) 28.424 20.496 ( 0.029 -3.193 29.047) 29.222 22.535 ( -1.563 1.762 -23.915) 24.031 22.667 ( 1.871 2.801 -24.098) 24.333 28.036 ( 9.100 -1.507 19.054) 21.169 28.674 ( -20.340 -12.232 17.367) 29.409 29.559 ( 19.976 -12.930 -10.363) 25.954 30.177 ( -7.469 -10.681 -8.159) 15.377 30.807 ( 7.558 -1.515 17.649) 19.259 31.301 ( -9.130 -24.881 3.943) 26.795 32.080 ( 5.046 -4.982 -12.522) 14.391 32.294 ( -3.596 -7.241 -13.011) 15.318 34.579 ( 2.137 -6.681 2.172) 7.343 34.741 ( -2.822 -3.680 -1.810) 4.978 35.170 ( 2.075 39.057 -3.365) 39.256 35.539 ( -1.227 36.654 -12.837) 38.856======================= Grid point 232 (81/126) =======================q-point: (-0.50 0.18 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.422 ( 0.000 24.935 -3.820) 25.226 1.583 ( -0.000 16.196 4.140) 16.717 2.023 ( 0.000 14.802 3.837) 15.291 2.693 ( 0.000 16.494 2.154) 16.634 3.145 ( -0.000 30.995 1.404) 31.026 3.146 ( 0.000 14.458 3.162) 14.800 3.333 ( 0.000 17.441 2.252) 17.586 3.575 ( 0.000 7.176 0.380) 7.186 4.865 ( 0.000 -5.352 36.182) 36.576 5.815 ( -0.000 6.725 24.771) 25.668 6.208 ( 0.000 -19.873 0.660) 19.884 6.491 ( -0.000 -9.410 7.599) 12.095 6.693 ( 0.000 -18.528 -3.024) 18.773 7.030 ( 0.000 -3.101 9.057) 9.573 7.815 ( 0.000 7.151 -4.777) 8.600 7.894 ( -0.000 -0.675 0.241) 0.716 7.895 ( 0.000 -18.803 5.814) 19.681 8.456 ( 0.000 -3.055 -1.183) 3.276 9.207 ( 0.000 -10.736 -0.096) 10.736 9.836 ( 0.000 7.752 -3.748) 8.611 10.254 ( -0.000 -6.783 -2.029) 7.080 10.430 ( 0.000 0.605 -9.404) 9.424 10.828 ( -0.000 5.270 -5.391) 7.538 10.986 ( -0.000 5.720 1.885) 6.022 11.149 ( 0.000 -4.838 -5.911) 7.638 11.428 ( 0.000 2.930 -11.831) 12.189 13.336 ( 0.000 1.516 4.385) 4.640 13.402 ( 0.000 5.941 2.733) 6.540 13.907 ( -0.000 -6.963 -5.039) 8.595 14.062 ( 0.000 -1.724 -8.329) 8.506 14.508 ( 0.000 4.623 -5.565) 7.235 14.758 ( 0.000 -14.447 -3.996) 14.990 14.891 ( -0.000 7.710 -13.322) 15.392 15.195 ( 0.000 -8.177 -11.273) 13.926 17.933 ( 0.000 3.865 17.094) 17.525 18.535 ( 0.000 10.432 6.105) 12.087 19.064 ( -0.000 -5.450 -4.012) 6.768 19.065 ( 0.000 -3.224 -2.041) 3.816 20.342 ( 0.000 -3.817 28.122) 28.380 20.496 ( 0.000 -1.893 29.753) 29.814 22.518 ( 0.000 1.384 -24.163) 24.203 22.688 ( 0.000 3.074 -23.912) 24.109 28.270 ( 0.000 -5.980 19.430) 20.329 28.325 ( -0.000 -5.598 19.612) 20.395 29.865 ( -0.000 -15.767 -13.057) 20.472 30.003 ( 0.000 -10.036 -11.720) 15.430 30.943 ( -0.000 -6.881 15.671) 17.116 31.147 ( 0.000 -18.510 7.932) 20.138 32.174 ( 0.000 -6.526 -11.853) 13.531 32.216 ( -0.000 -7.747 -13.056) 15.181 34.615 ( 0.000 -5.352 0.932) 5.433 34.697 ( -0.000 -3.829 0.062) 3.829 35.197 ( -0.000 39.464 -4.823) 39.758 35.523 ( 0.000 35.326 -11.908) 37.279======================= Grid point 235 (82/126) =======================q-point: ( 0.00 0.27 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( 0.000 20.579 0.613) 20.588 2.399 ( 0.000 12.824 -6.762) 14.498 2.626 ( 0.000 27.849 12.290) 30.440 3.052 ( 0.000 17.853 9.402) 20.178 3.255 ( 0.000 -4.726 -2.125) 5.182 3.387 ( 0.000 18.857 1.465) 18.914 3.768 ( 0.000 32.560 4.378) 32.853 4.054 ( 0.000 33.099 0.399) 33.101 4.867 ( 0.000 2.747 32.792) 32.907 5.433 ( 0.000 -23.036 19.718) 30.322 5.702 ( 0.000 -8.777 2.573) 9.146 6.268 ( 0.000 -21.319 5.527) 22.024 6.593 ( 0.000 -11.024 -15.379) 18.922 6.780 ( 0.000 -18.198 4.541) 18.756 7.247 ( 0.000 -4.759 12.744) 13.604 7.688 ( 0.000 1.316 4.190) 4.392 8.349 ( 0.000 5.187 0.890) 5.263 8.517 ( 0.000 -2.347 -0.717) 2.454 9.127 ( 0.000 -15.902 0.176) 15.903 9.931 ( 0.000 -0.997 -8.324) 8.383 10.017 ( 0.000 6.694 -1.148) 6.792 10.697 ( 0.000 -6.109 -12.187) 13.633 10.734 ( 0.000 7.230 3.421) 7.998 10.958 ( 0.000 2.426 -1.001) 2.624 11.401 ( 0.000 -2.955 -7.839) 8.378 11.405 ( 0.000 2.265 -7.655) 7.983 13.250 ( 0.000 -4.772 1.498) 5.001 13.424 ( 0.000 8.551 5.778) 10.320 13.590 ( 0.000 -0.443 -2.133) 2.178 14.309 ( 0.000 -15.893 -6.433) 17.146 14.359 ( 0.000 -3.861 -15.073) 15.560 14.683 ( 0.000 13.043 1.141) 13.093 14.862 ( 0.000 -15.612 -13.600) 20.705 15.202 ( 0.000 9.633 -9.460) 13.501 18.256 ( 0.000 12.118 15.269) 19.493 18.338 ( 0.000 -12.094 12.136) 17.133 18.999 ( 0.000 -8.802 -2.682) 9.202 19.055 ( 0.000 11.036 -4.081) 11.766 20.361 ( 0.000 -1.025 29.453) 29.471 20.425 ( 0.000 -2.199 28.484) 28.568 22.609 ( 0.000 2.245 -24.437) 24.540 22.678 ( 0.000 1.841 -25.702) 25.768 27.947 ( 0.000 0.401 19.406) 19.410 28.517 ( 0.000 -22.589 23.137) 32.335 29.235 ( 0.000 1.572 -13.447) 13.538 29.941 ( 0.000 -20.821 -14.085) 25.137 30.783 ( 0.000 3.749 17.848) 18.238 30.960 ( 0.000 -14.055 14.588) 20.257 32.009 ( 0.000 1.286 -11.549) 11.620 32.202 ( 0.000 -6.069 -13.522) 14.821 34.386 ( 0.000 -9.132 2.542) 9.479 34.644 ( 0.000 -8.595 -4.402) 9.657 35.870 ( 0.000 32.930 -1.998) 32.990 36.231 ( 0.000 29.935 -12.555) 32.461======================= Grid point 236 (83/126) =======================q-point: ( 0.25 0.27 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.874 ( -0.873 20.309 1.454) 20.380 2.194 ( -15.146 24.253 3.762) 28.841 2.536 ( -7.207 22.355 1.456) 23.533 3.003 ( -2.650 1.662 10.206) 10.675 3.295 ( -4.299 20.830 -4.434) 21.726 3.424 ( 8.793 7.732 -1.673) 11.828 3.838 ( 5.549 31.260 2.970) 31.887 4.044 ( -2.367 32.449 -1.385) 32.565 4.853 ( 0.085 1.856 37.187) 37.234 5.531 ( 7.547 -23.520 17.401) 30.215 5.840 ( 11.289 -5.269 9.213) 15.494 6.242 ( -2.276 -22.311 5.245) 23.032 6.446 ( -10.169 -14.090 -4.278) 17.895 6.863 ( 3.961 -13.555 0.681) 14.138 7.358 ( 10.742 -6.243 8.289) 14.936 7.757 ( 5.733 0.390 0.953) 5.825 8.256 ( -12.420 -0.392 1.594) 12.528 8.412 ( -4.566 1.771 -4.281) 6.505 9.071 ( -4.725 -12.715 1.298) 13.627 9.975 ( 2.938 0.577 -8.619) 9.124 10.048 ( 3.237 2.835 0.581) 4.342 10.553 ( -7.770 -0.172 -7.528) 10.820 10.858 ( 5.939 2.718 -3.210) 7.277 10.968 ( 1.627 1.622 -1.503) 2.745 11.261 ( -9.091 -0.585 -4.516) 10.167 11.466 ( 1.937 1.657 -9.871) 10.195 13.349 ( 3.858 -1.262 1.898) 4.481 13.442 ( 5.584 1.855 7.155) 9.263 13.608 ( 2.759 0.427 -3.027) 4.118 14.215 ( -12.713 -7.948 -8.718) 17.344 14.344 ( 2.576 -12.705 -8.510) 15.507 14.718 ( 3.484 11.362 -2.485) 12.141 14.883 ( 0.648 -11.091 -15.467) 19.044 15.193 ( -0.657 8.517 -8.946) 12.369 18.086 ( -7.889 2.915 16.951) 18.923 18.512 ( 8.073 -3.974 11.070) 14.265 19.008 ( 0.956 -5.787 -3.370) 6.764 19.053 ( -0.383 8.729 -4.263) 9.721 20.323 ( -2.467 -1.151 28.624) 28.753 20.449 ( 1.343 -1.675 29.783) 29.860 22.578 ( -1.782 2.465 -25.176) 25.359 22.711 ( 1.994 1.591 -25.012) 25.142 28.005 ( 5.631 -1.544 19.722) 20.568 28.387 ( -10.436 -15.302 21.539) 28.408 29.377 ( 11.302 -6.137 -12.876) 18.199 29.874 ( -6.326 -18.995 -14.324) 24.618 30.812 ( 2.685 1.356 17.542) 17.798 30.937 ( -2.202 -11.113 15.212) 18.967 32.032 ( 2.303 -0.029 -11.651) 11.876 32.169 ( -3.046 -5.210 -13.063) 14.390 34.422 ( 3.227 -8.856 1.599) 9.560 34.612 ( -2.924 -8.644 -3.257) 9.689 35.904 ( 2.912 33.332 -3.459) 33.637 36.199 ( -2.798 29.328 -11.342) 31.569======================= Grid point 237 (84/126) =======================q-point: (-0.50 0.27 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( -0.000 17.400 10.932) 20.550 1.963 ( 0.000 28.361 -1.567) 28.405 2.456 ( 0.000 26.066 -1.416) 26.105 2.951 ( 0.000 6.283 10.040) 11.844 3.267 ( 0.000 12.874 -7.466) 14.882 3.515 ( 0.000 8.849 -3.110) 9.380 3.954 ( -0.000 32.803 -0.213) 32.804 3.958 ( 0.000 27.387 -0.767) 27.398 4.864 ( 0.000 6.169 40.888) 41.351 5.633 ( -0.000 -25.046 15.792) 29.609 6.005 ( -0.000 -0.712 16.979) 16.994 6.208 ( 0.000 -23.641 4.995) 24.163 6.301 ( 0.000 -16.167 -1.717) 16.258 6.899 ( 0.000 -11.854 1.985) 12.019 7.550 ( 0.000 -12.980 3.560) 13.460 7.848 ( 0.000 -3.107 3.593) 4.750 8.010 ( 0.000 11.621 -3.729) 12.204 8.379 ( -0.000 -4.745 -7.158) 8.588 9.006 ( 0.000 -9.040 3.272) 9.614 10.004 ( 0.000 5.701 -8.556) 10.281 10.106 ( 0.000 -5.408 3.107) 6.237 10.454 ( 0.000 1.849 -9.867) 10.039 10.918 ( 0.000 3.466 -5.685) 6.658 11.065 ( -0.000 1.967 -0.042) 1.967 11.080 ( 0.000 -1.186 -3.402) 3.603 11.486 ( 0.000 2.623 -10.278) 10.608 13.360 ( 0.000 0.855 3.031) 3.149 13.518 ( 0.000 3.970 9.922) 10.687 13.754 ( -0.000 -7.081 -8.928) 11.395 13.972 ( 0.000 -7.364 -2.742) 7.858 14.382 ( 0.000 -12.188 -9.218) 15.281 14.770 ( 0.000 11.211 -2.056) 11.398 14.878 ( 0.000 -8.766 -19.562) 21.436 15.185 ( 0.000 7.168 -8.364) 11.015 18.002 ( 0.000 2.385 18.234) 18.390 18.597 ( 0.000 -4.954 10.528) 11.635 19.033 ( 0.000 3.376 -6.423) 7.256 19.036 ( -0.000 0.690 -2.245) 2.349 20.293 ( 0.000 -1.016 28.473) 28.491 20.464 ( 0.000 -1.399 30.450) 30.482 22.559 ( 0.000 2.596 -25.495) 25.627 22.733 ( 0.000 1.431 -24.742) 24.783 28.142 ( 0.000 -6.709 20.217) 21.301 28.195 ( -0.000 -7.127 20.729) 21.920 29.554 ( -0.000 -14.385 -13.329) 19.611 29.754 ( 0.000 -14.303 -14.499) 20.366 30.877 ( -0.000 -0.983 18.067) 18.094 30.878 ( 0.000 -8.223 15.000) 17.106 32.094 ( 0.000 -1.859 -11.084) 11.239 32.098 ( -0.000 -3.833 -13.279) 13.821 34.478 ( 0.000 -8.205 -0.151) 8.206 34.560 ( -0.000 -9.080 -1.316) 9.175 35.947 ( -0.000 34.324 -5.442) 34.752 36.157 ( 0.000 28.144 -9.591) 29.734======================= Grid point 240 (85/126) =======================q-point: ( 0.00 0.36 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.310 ( 0.000 19.957 -3.179) 20.208 2.601 ( 0.000 7.304 -5.157) 8.941 3.023 ( 0.000 -0.398 6.510) 6.523 3.224 ( 0.000 15.097 4.134) 15.653 3.413 ( 0.000 18.710 9.417) 20.947 3.813 ( 0.000 23.084 -0.302) 23.086 4.327 ( 0.000 23.091 5.173) 23.664 4.615 ( 0.000 20.017 2.328) 20.152 4.966 ( 0.000 -23.021 17.243) 28.762 4.987 ( 0.000 10.119 26.032) 27.929 5.462 ( 0.000 -18.242 -4.075) 18.691 5.933 ( 0.000 -9.575 12.704) 15.908 6.350 ( 0.000 -13.210 0.123) 13.210 6.422 ( 0.000 -16.768 3.154) 17.062 7.248 ( 0.000 4.642 -0.776) 4.706 7.729 ( 0.000 2.429 6.776) 7.198 8.384 ( 0.000 -0.852 -0.866) 1.215 8.460 ( 0.000 -2.961 2.571) 3.921 8.794 ( 0.000 -16.950 -0.928) 16.975 9.940 ( 0.000 1.670 -10.949) 11.075 10.142 ( 0.000 5.606 -1.205) 5.734 10.566 ( 0.000 -6.453 -8.454) 10.636 10.886 ( 0.000 7.604 5.524) 9.399 11.025 ( 0.000 4.016 -6.324) 7.492 11.323 ( 0.000 -4.781 -8.862) 10.069 11.409 ( 0.000 -1.833 -2.764) 3.317 13.174 ( 0.000 -2.683 1.731) 3.193 13.551 ( 0.000 -3.809 3.806) 5.385 13.617 ( 0.000 10.561 5.012) 11.690 14.080 ( 0.000 -6.127 -14.486) 15.728 14.231 ( 0.000 -8.450 -6.590) 10.715 14.563 ( 0.000 -14.042 -14.171) 19.950 14.958 ( 0.000 13.806 -2.735) 14.074 15.361 ( 0.000 5.921 -10.171) 11.769 18.113 ( 0.000 -10.076 14.569) 17.713 18.470 ( 0.000 8.950 15.063) 17.521 18.842 ( 0.000 -6.688 -3.276) 7.447 19.237 ( 0.000 7.176 -3.620) 8.037 20.346 ( 0.000 -0.507 30.320) 30.324 20.401 ( 0.000 -0.521 28.441) 28.446 22.646 ( 0.000 1.502 -25.187) 25.232 22.709 ( 0.000 1.275 -26.418) 26.449 27.957 ( 0.000 0.546 20.093) 20.100 28.152 ( 0.000 -14.094 20.904) 25.212 29.259 ( 0.000 0.807 -12.963) 12.988 29.521 ( 0.000 -19.133 -15.152) 24.406 30.797 ( 0.000 -4.124 18.341) 18.799 30.863 ( 0.000 3.987 17.459) 17.908 32.063 ( 0.000 3.731 -11.229) 11.832 32.099 ( 0.000 -4.144 -13.046) 13.688 34.213 ( 0.000 -7.799 2.094) 8.075 34.458 ( 0.000 -9.381 -4.245) 10.297 36.414 ( 0.000 21.461 -1.100) 21.489 36.719 ( 0.000 19.053 -9.781) 21.417======================= Grid point 241 (86/126) =======================q-point: ( 0.25 0.36 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.267 ( -2.866 18.046 -0.053) 18.272 2.539 ( -6.153 8.610 -1.717) 10.721 3.020 ( -3.169 10.518 6.049) 12.540 3.060 ( -2.591 21.853 5.586) 22.704 3.619 ( 9.393 12.028 0.481) 15.268 3.741 ( -5.125 22.663 -3.134) 23.446 4.339 ( 1.327 17.889 5.422) 18.740 4.583 ( -5.121 18.889 2.837) 19.776 4.993 ( 4.868 -2.441 16.818) 17.677 5.079 ( 7.834 -4.694 22.892) 24.647 5.568 ( 7.066 -23.480 1.340) 24.557 5.901 ( -1.824 -9.926 14.690) 17.823 6.165 ( -10.468 -14.482 4.870) 18.521 6.523 ( 2.911 -18.838 3.557) 19.391 7.344 ( 7.793 4.274 -2.433) 9.215 7.765 ( 2.768 -0.022 4.784) 5.527 8.247 ( -7.163 -0.504 2.637) 7.650 8.423 ( -6.736 -1.529 -8.444) 10.909 8.846 ( 4.151 -8.440 3.863) 10.168 9.867 ( -4.893 -7.490 -5.694) 10.605 10.207 ( 4.282 9.032 -4.027) 10.777 10.535 ( -2.526 -1.528 -8.641) 9.131 10.919 ( 2.918 2.802 0.806) 4.125 11.023 ( 0.441 4.178 -5.390) 6.834 11.238 ( -6.367 -1.213 -4.126) 7.683 11.471 ( 3.703 -1.617 -5.206) 6.590 13.276 ( 8.493 -4.224 1.498) 9.603 13.489 ( -3.370 1.618 0.578) 3.783 13.624 ( 0.455 0.239 7.797) 7.814 14.026 ( -12.481 -9.551 -6.812) 17.129 14.180 ( 3.867 -3.095 -11.476) 12.499 14.636 ( 4.289 -11.339 -16.536) 20.504 14.990 ( 2.468 13.279 -2.960) 13.827 15.345 ( -1.273 5.820 -9.667) 11.355 18.070 ( -3.252 -3.514 15.833) 16.541 18.440 ( -1.834 -3.375 12.207) 12.797 18.945 ( 8.116 -0.564 -1.993) 8.376 19.208 ( -3.020 6.370 -3.422) 7.836 20.318 ( -1.739 0.631 29.290) 29.348 20.422 ( 1.225 -1.311 29.766) 29.820 22.629 ( -1.113 2.501 -25.894) 26.039 22.729 ( 1.305 0.275 -25.746) 25.780 27.978 ( 2.001 -1.167 20.084) 20.217 28.117 ( -3.124 -11.177 20.685) 23.718 29.289 ( 2.494 -3.151 -13.097) 13.699 29.503 ( -1.531 -16.463 -14.850) 22.224 30.797 ( -0.003 -2.419 17.671) 17.835 30.866 ( 0.214 1.703 17.990) 18.071 32.064 ( 0.105 2.458 -11.938) 12.188 32.094 ( -0.442 -2.088 -12.209) 12.394 34.248 ( 3.275 -8.017 1.212) 8.745 34.426 ( -2.991 -9.340 -3.257) 10.333 36.453 ( 3.512 21.539 -2.410) 21.956 36.680 ( -3.572 18.918 -8.621) 21.094======================= Grid point 242 (87/126) =======================q-point: (-0.50 0.36 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.241 ( -0.000 14.823 6.640) 16.242 2.441 ( 0.000 15.706 -1.739) 15.802 2.984 ( -0.000 26.562 1.245) 26.592 3.059 ( 0.000 10.855 7.020) 12.927 3.674 ( 0.000 25.129 -5.717) 25.771 3.715 ( -0.000 11.792 -4.291) 12.548 4.375 ( 0.000 14.168 8.437) 16.490 4.482 ( 0.000 16.007 1.102) 16.045 5.120 ( 0.000 -21.978 8.593) 23.598 5.146 ( -0.000 21.027 29.232) 36.009 5.639 ( 0.000 -31.148 1.277) 31.174 5.915 ( 0.000 -9.562 25.757) 27.475 6.014 ( -0.000 -13.687 3.663) 14.169 6.544 ( 0.000 -22.053 2.704) 22.218 7.451 ( 0.000 2.146 -2.086) 2.993 7.790 ( -0.000 -2.874 4.667) 5.481 8.221 ( 0.000 7.468 -2.173) 7.778 8.275 ( -0.000 -5.100 -9.396) 10.691 8.898 ( -0.000 0.329 3.986) 4.000 9.808 ( 0.000 -16.366 -1.903) 16.476 10.258 ( 0.000 11.029 -4.644) 11.967 10.500 ( -0.000 2.492 -9.337) 9.663 10.957 ( 0.000 0.688 -7.284) 7.316 11.062 ( -0.000 -2.088 -3.659) 4.212 11.129 ( 0.000 5.994 1.129) 6.099 11.513 ( 0.000 -0.493 -5.403) 5.425 13.372 ( -0.000 0.449 0.244) 0.511 13.485 ( 0.000 -5.497 5.322) 7.652 13.676 ( -0.000 -2.687 -0.974) 2.858 13.794 ( 0.000 -9.636 1.636) 9.774 14.239 ( 0.000 -0.879 -13.222) 13.251 14.682 ( -0.000 -10.081 -18.164) 20.774 15.021 ( 0.000 13.079 -3.326) 13.495 15.329 ( -0.000 5.659 -9.057) 10.680 18.030 ( 0.000 1.125 16.813) 16.851 18.420 ( 0.000 -10.819 10.683) 15.205 19.086 ( -0.000 3.708 -1.359) 3.949 19.127 ( 0.000 4.435 -3.636) 5.735 20.298 ( 0.000 1.362 28.974) 29.006 20.435 ( 0.000 -1.676 30.390) 30.436 22.616 ( 0.000 3.083 -26.256) 26.436 22.744 ( 0.000 -0.309 -25.419) 25.421 28.020 ( 0.000 -5.136 19.993) 20.642 28.060 ( -0.000 -6.118 20.570) 21.461 29.324 ( -0.000 -8.408 -13.364) 15.789 29.480 ( 0.000 -12.379 -14.438) 19.018 30.797 ( 0.000 -0.867 17.038) 17.060 30.869 ( -0.000 -0.434 18.481) 18.486 32.066 ( 0.000 0.370 -13.081) 13.087 32.088 ( 0.000 0.784 -10.940) 10.968 34.311 ( 0.000 -7.942 -0.557) 7.961 34.367 ( -0.000 -9.590 -1.382) 9.689 36.515 ( -0.000 22.449 -4.674) 22.930 36.617 ( 0.000 17.952 -6.503) 19.094======================= Grid point 245 (88/126) =======================q-point: ( 0.00 0.45 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 201Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.614 ( 0.000 9.063 -5.758) 10.737 2.688 ( 0.000 1.725 -2.103) 2.720 2.923 ( 0.000 -3.726 10.182) 10.842 3.535 ( 0.000 9.649 -3.509) 10.267 3.774 ( 0.000 15.288 4.988) 16.081 4.205 ( 0.000 10.932 -3.446) 11.462 4.598 ( 0.000 -9.041 17.427) 19.633 4.651 ( 0.000 8.920 6.920) 11.290 4.809 ( 0.000 2.763 12.082) 12.394 5.051 ( 0.000 -18.493 0.366) 18.497 5.227 ( 0.000 9.328 15.076) 17.728 5.846 ( 0.000 -1.560 13.474) 13.564 6.120 ( 0.000 -7.868 11.630) 14.041 6.175 ( 0.000 -6.790 1.990) 7.076 7.370 ( 0.000 5.167 -9.844) 11.117 7.769 ( 0.000 1.221 7.088) 7.192 8.366 ( 0.000 0.408 -7.175) 7.186 8.414 ( 0.000 -1.392 4.531) 4.740 8.504 ( 0.000 -10.580 4.504) 11.499 9.975 ( 0.000 1.288 -14.392) 14.450 10.225 ( 0.000 2.424 -0.592) 2.496 10.467 ( 0.000 -2.891 -7.588) 8.120 11.013 ( 0.000 4.373 7.644) 8.806 11.108 ( 0.000 3.984 -9.572) 10.368 11.225 ( 0.000 -4.518 -8.560) 9.679 11.352 ( 0.000 -2.753 1.301) 3.045 13.143 ( 0.000 -0.621 1.696) 1.806 13.468 ( 0.000 -3.107 7.362) 7.990 13.830 ( 0.000 10.729 3.221) 11.202 14.043 ( 0.000 -10.184 -1.257) 10.261 14.058 ( 0.000 2.099 -21.205) 21.309 14.333 ( 0.000 -8.031 -13.071) 15.342 15.184 ( 0.000 7.439 -4.297) 8.591 15.423 ( 0.000 0.584 -10.654) 10.670 17.966 ( 0.000 -4.116 16.293) 16.805 18.594 ( 0.000 3.278 14.884) 15.241 18.748 ( 0.000 -2.561 -3.814) 4.594 19.334 ( 0.000 2.482 -3.465) 4.262 20.339 ( 0.000 -0.160 31.013) 31.014 20.397 ( 0.000 -0.030 28.482) 28.482 22.667 ( 0.000 0.520 -25.549) 25.554 22.727 ( 0.000 0.472 -26.755) 26.759 27.964 ( 0.000 -4.809 18.974) 19.574 27.965 ( 0.000 0.258 20.460) 20.461 29.250 ( 0.000 -7.283 -14.341) 16.085 29.269 ( 0.000 0.216 -12.570) 12.572 30.753 ( 0.000 -0.875 18.700) 18.721 30.924 ( 0.000 1.773 17.225) 17.316 32.043 ( 0.000 -1.467 -12.612) 12.697 32.129 ( 0.000 2.125 -11.518) 11.713 34.100 ( 0.000 -3.131 1.725) 3.575 34.313 ( 0.000 -4.250 -3.615) 5.580 36.703 ( 0.000 7.442 -0.430) 7.454 36.974 ( 0.000 6.540 -7.834) 10.205======================= Grid point 246 (89/126) =======================q-point: ( 0.25 0.45 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.530 ( -6.442 7.524 -2.308) 10.170 2.590 ( -4.067 -0.544 -1.210) 4.278 3.153 ( 15.657 4.905 6.759) 17.745 3.535 ( -1.260 16.663 0.277) 16.713 3.834 ( 4.700 10.133 3.898) 11.830 4.212 ( -2.319 22.435 -3.219) 22.783 4.370 ( -5.139 -15.865 13.335) 21.353 4.753 ( -2.498 9.902 6.596) 12.157 4.894 ( 5.656 0.228 5.691) 8.027 4.985 ( -1.534 -23.006 0.514) 23.063 5.435 ( 15.139 12.119 20.350) 28.110 5.776 ( -5.893 -2.253 9.988) 11.814 5.893 ( -11.628 -11.449 5.657) 17.271 6.206 ( -3.954 -10.721 15.318) 19.111 7.462 ( 7.270 5.345 -8.636) 12.490 7.750 ( -1.971 -1.256 4.672) 5.224 8.241 ( -4.738 0.389 4.288) 6.402 8.344 ( -5.528 -4.764 -10.249) 12.582 8.775 ( 18.427 -0.029 6.007) 19.382 9.732 ( -17.907 -4.607 -6.761) 19.687 10.365 ( 7.776 6.145 -5.686) 11.426 10.495 ( 2.401 -2.479 -7.717) 8.454 10.945 ( -2.326 0.183 -2.392) 3.342 11.110 ( -4.500 2.694 -7.759) 9.366 11.249 ( 3.201 3.163 -1.092) 4.631 11.399 ( 3.747 -4.913 0.643) 6.212 13.215 ( 6.831 -1.640 0.717) 7.061 13.478 ( 1.026 -1.670 3.697) 4.185 13.661 ( -10.648 3.905 1.978) 11.512 13.848 ( -12.656 -7.625 -2.164) 14.933 14.224 ( 8.489 5.673 -14.524) 17.754 14.430 ( 5.570 -8.834 -14.076) 17.527 15.215 ( 2.634 7.876 -4.585) 9.486 15.401 ( -1.925 -0.028 -9.421) 9.616 18.002 ( 3.625 -2.230 15.496) 16.070 18.383 ( -12.128 -1.864 10.829) 16.365 18.957 ( 12.081 0.838 0.326) 12.115 19.294 ( -4.017 2.215 -2.839) 5.395 20.340 ( 0.026 1.178 30.323) 30.346 20.395 ( -0.135 -1.225 29.246) 29.272 22.671 ( 0.354 1.516 -25.902) 25.949 22.725 ( -0.159 -0.520 -26.418) 26.424 27.957 ( -0.378 -1.878 19.546) 19.640 27.968 ( 0.026 -2.562 19.828) 19.993 29.238 ( -0.645 -2.527 -13.598) 13.846 29.281 ( 0.706 -4.717 -13.445) 14.266 30.773 ( 1.903 -0.363 18.500) 18.601 30.896 ( -2.523 0.903 17.532) 17.736 32.061 ( 1.601 -0.550 -12.499) 12.614 32.122 ( -0.705 1.774 -11.659) 11.814 34.131 ( 2.901 -3.308 1.019) 4.516 34.282 ( -2.911 -4.209 -2.749) 5.809 36.741 ( 3.628 7.419 -1.578) 8.408 36.935 ( -3.737 6.550 -6.807) 10.159======================= Grid point 247 (90/126) =======================q-point: (-0.50 0.45 0.33)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 199Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.458 ( 0.000 7.289 0.649) 7.318 2.547 ( 0.000 -1.555 -1.750) 2.341 3.397 ( -0.000 17.395 4.493) 17.966 3.458 ( 0.000 16.566 3.354) 16.902 3.900 ( -0.000 7.812 4.861) 9.201 4.134 ( 0.000 6.375 2.269) 6.766 4.415 ( -0.000 -0.393 4.301) 4.318 4.638 ( 0.000 11.371 6.381) 13.039 4.967 ( -0.000 -3.291 0.608) 3.347 4.995 ( 0.000 -26.960 -0.164) 26.961 5.611 ( 0.000 17.928 10.280) 20.666 5.702 ( 0.000 -7.028 14.900) 16.474 5.800 ( -0.000 -3.792 17.344) 17.753 6.105 ( 0.000 -21.624 15.560) 26.641 7.565 ( 0.000 7.828 -4.231) 8.898 7.710 ( -0.000 -5.860 0.234) 5.865 8.216 ( 0.000 -0.123 -4.783) 4.785 8.256 ( -0.000 -2.479 -0.256) 2.493 9.071 ( -0.000 15.856 0.704) 15.872 9.441 ( 0.000 -19.821 -1.024) 19.848 10.450 ( 0.000 7.426 -6.201) 9.675 10.528 ( 0.000 -0.544 -7.848) 7.867 10.965 ( 0.000 0.713 -8.279) 8.310 11.003 ( -0.000 -3.070 -6.861) 7.517 11.288 ( 0.000 9.078 2.791) 9.497 11.448 ( 0.000 -6.182 0.050) 6.182 13.382 ( -0.000 0.602 -2.437) 2.511 13.403 ( 0.000 -2.147 -1.408) 2.567 13.611 ( 0.000 -2.422 4.020) 4.693 13.635 ( 0.000 -5.291 3.984) 6.624 14.319 ( 0.000 7.323 -14.092) 15.882 14.489 ( -0.000 -9.368 -15.604) 18.200 15.254 ( 0.000 9.560 -5.355) 10.958 15.371 ( -0.000 -1.865 -7.666) 7.890 18.079 ( -0.000 4.499 14.262) 14.955 18.216 ( 0.000 -9.129 11.903) 15.001 19.156 ( -0.000 2.798 -0.844) 2.922 19.180 ( 0.000 0.667 -1.597) 1.730 20.340 ( 0.000 2.632 29.583) 29.699 20.393 ( 0.000 -2.533 30.059) 30.165 22.676 ( 0.000 2.814 -26.349) 26.499 22.723 ( -0.000 -1.815 -25.988) 26.052 27.953 ( 0.000 -1.436 19.530) 19.583 27.968 ( 0.000 -2.894 19.785) 19.995 29.231 ( 0.000 -0.873 -13.415) 13.443 29.289 ( 0.000 -6.548 -13.761) 15.240 30.812 ( 0.000 1.790 17.823) 17.912 30.849 ( -0.000 -1.590 18.322) 18.391 32.091 ( -0.000 1.458 -12.539) 12.623 32.104 ( 0.000 0.312 -11.653) 11.657 34.197 ( -0.000 -2.858 -0.633) 2.928 34.216 ( 0.000 -4.794 -0.938) 4.885 36.823 ( -0.000 8.528 -4.009) 9.424 36.852 ( 0.000 5.427 -4.495) 7.047======================= Grid point 275 (91/126) =======================q-point: ( 0.00 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( 0.000 0.000 7.335) 7.335 1.657 ( 0.000 0.000 2.563) 2.563 1.928 ( 0.000 0.000 25.586) 25.586 2.255 ( 0.000 0.000 3.795) 3.795 2.382 ( 0.000 0.000 -0.250) 0.250 2.578 ( 0.000 0.000 -4.463) 4.463 2.580 ( 0.000 0.000 -2.505) 2.505 2.914 ( 0.000 0.000 -21.971) 21.971 5.852 ( 0.000 0.000 35.143) 35.143 6.445 ( 0.000 0.000 9.080) 9.080 6.603 ( 0.000 0.000 8.702) 8.702 6.854 ( 0.000 0.000 -17.866) 17.866 7.144 ( 0.000 0.000 21.899) 21.899 7.503 ( 0.000 0.000 8.027) 8.027 7.809 ( 0.000 0.000 5.345) 5.345 7.812 ( 0.000 0.000 4.095) 4.095 7.950 ( 0.000 0.000 -9.984) 9.984 8.002 ( 0.000 0.000 -13.810) 13.810 9.574 ( 0.000 0.000 4.659) 4.659 9.880 ( 0.000 0.000 8.524) 8.524 9.930 ( 0.000 0.000 -9.209) 9.209 10.483 ( 0.000 0.000 -19.469) 19.469 10.637 ( 0.000 0.000 4.909) 4.909 10.968 ( 0.000 0.000 -11.344) 11.344 11.067 ( 0.000 0.000 6.587) 6.587 11.332 ( 0.000 0.000 -6.726) 6.726 13.363 ( 0.000 0.000 7.603) 7.603 13.471 ( 0.000 0.000 -1.153) 1.153 13.476 ( 0.000 0.000 -2.820) 2.820 13.852 ( 0.000 0.000 -18.474) 18.474 14.350 ( 0.000 0.000 5.824) 5.824 14.632 ( 0.000 0.000 -8.101) 8.101 15.116 ( 0.000 0.000 0.208) 0.208 15.239 ( 0.000 0.000 -6.671) 6.671 18.016 ( 0.000 0.000 11.230) 11.230 18.368 ( 0.000 0.000 -6.807) 6.807 18.959 ( 0.000 0.000 8.412) 8.412 19.270 ( 0.000 0.000 -6.823) 6.823 20.978 ( 0.000 0.000 28.974) 28.974 21.146 ( 0.000 0.000 24.951) 24.951 22.044 ( 0.000 0.000 -25.462) 25.462 22.114 ( 0.000 0.000 -24.745) 24.745 28.270 ( 0.000 0.000 16.370) 16.370 28.873 ( 0.000 0.000 -14.968) 14.968 30.102 ( 0.000 0.000 9.042) 9.042 30.390 ( 0.000 0.000 -3.567) 3.567 31.056 ( 0.000 0.000 19.467) 19.467 31.784 ( 0.000 0.000 -17.868) 17.868 32.201 ( 0.000 0.000 -4.139) 4.139 32.365 ( 0.000 0.000 -9.338) 9.338 34.189 ( 0.000 0.000 -0.116) 0.116 34.202 ( 0.000 0.000 -0.777) 0.777 34.773 ( 0.000 0.000 1.861) 1.861 34.811 ( 0.000 0.000 -0.338) 0.338======================= Grid point 276 (92/126) =======================q-point: ( 0.25 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.039 ( -31.297 0.000 6.188) 31.902 1.297 ( -27.563 0.000 -4.449) 27.919 2.196 ( 2.198 0.000 4.991) 5.453 2.202 ( -6.872 0.000 4.379) 8.149 2.304 ( -0.410 0.000 -1.004) 1.085 2.393 ( -1.163 0.000 -2.758) 2.994 2.952 ( 35.319 0.000 13.248) 37.722 3.500 ( 28.430 0.000 -13.112) 31.308 5.544 ( -18.138 0.000 25.380) 31.195 6.167 ( -32.077 0.000 -3.214) 32.238 6.648 ( 12.897 0.000 12.953) 18.279 6.956 ( 1.855 0.000 -3.494) 3.956 7.158 ( -0.430 0.000 21.104) 21.108 7.334 ( -9.399 0.000 8.302) 12.541 7.621 ( -1.997 0.000 -1.772) 2.670 7.853 ( -4.982 0.000 -9.661) 10.870 8.169 ( 21.621 0.000 7.292) 22.818 8.389 ( 19.277 0.000 -6.423) 20.318 9.563 ( -1.277 0.000 2.239) 2.578 9.671 ( -11.068 0.000 0.289) 11.072 10.092 ( 7.728 0.000 -2.322) 8.069 10.409 ( -6.921 0.000 -16.290) 17.699 10.668 ( 3.168 0.000 3.329) 4.596 10.901 ( -6.219 0.000 -3.934) 7.359 11.092 ( 2.852 0.000 -1.068) 3.046 11.272 ( -4.977 0.000 -6.480) 8.171 13.255 ( -4.159 0.000 -0.589) 4.200 13.348 ( -7.878 0.000 -4.741) 9.195 13.707 ( 15.268 0.000 3.270) 15.614 14.015 ( 10.213 0.000 -12.476) 16.123 14.301 ( -3.452 0.000 4.632) 5.776 14.565 ( -6.522 0.000 -8.084) 10.387 15.149 ( 2.836 0.000 -0.853) 2.962 15.236 ( -0.570 0.000 -5.703) 5.731 18.045 ( 2.945 0.000 9.450) 9.898 18.281 ( -7.091 0.000 -2.044) 7.380 19.034 ( 6.093 0.000 4.047) 7.315 19.241 ( -2.816 0.000 -5.457) 6.141 20.993 ( 1.599 0.000 28.571) 28.615 21.112 ( -3.061 0.000 25.750) 25.931 22.058 ( 1.268 0.000 -25.264) 25.296 22.108 ( -0.643 0.000 -24.797) 24.806 28.399 ( 12.129 0.000 15.995) 20.074 28.882 ( -1.973 0.000 -6.251) 6.555 29.964 ( -6.903 0.000 3.291) 7.647 30.266 ( -11.349 0.000 -7.323) 13.507 31.247 ( 14.609 0.000 14.229) 20.394 31.717 ( -6.551 0.000 -9.162) 11.263 32.233 ( 2.834 0.000 -7.166) 7.706 32.347 ( -1.802 0.000 -9.513) 9.682 34.195 ( 0.530 0.000 -0.111) 0.542 34.205 ( 0.156 0.000 -0.579) 0.599 34.775 ( 0.242 0.000 1.478) 1.497 34.802 ( -0.787 0.000 -0.090) 0.793======================= Grid point 277 (93/126) =======================q-point: (-0.50 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( -9.464 0.000 -8.160) 12.496 0.788 ( 9.464 0.000 -8.160) 12.496 2.172 ( -0.299 0.000 5.244) 5.253 2.172 ( 0.299 0.000 5.244) 5.253 2.345 ( -1.817 0.000 -1.552) 2.390 2.345 ( 1.817 0.000 -1.552) 2.390 3.604 ( -20.321 0.000 7.240) 21.572 3.604 ( 20.321 0.000 7.240) 21.572 5.551 ( -18.144 0.000 3.534) 18.485 5.551 ( 18.144 0.000 3.534) 18.485 6.871 ( -7.348 0.000 9.956) 12.374 6.871 ( 7.348 0.000 9.956) 12.374 7.190 ( -1.398 0.000 10.975) 11.063 7.190 ( 1.398 0.000 10.975) 11.063 7.713 ( -4.897 0.000 -5.054) 7.037 7.713 ( 4.897 0.000 -5.054) 7.037 8.523 ( -5.883 0.000 3.173) 6.684 8.523 ( 5.883 0.000 3.173) 6.684 9.539 ( -0.056 0.000 -1.759) 1.760 9.539 ( 0.056 0.000 -1.759) 1.760 10.245 ( -7.764 0.000 -7.494) 10.791 10.245 ( 7.764 0.000 -7.494) 10.791 10.765 ( -4.131 0.000 0.037) 4.131 10.765 ( 4.131 0.000 0.037) 4.131 11.170 ( -4.100 0.000 -5.272) 6.679 11.170 ( 4.100 0.000 -5.272) 6.679 13.237 ( -1.670 0.000 -4.324) 4.636 13.237 ( 1.670 0.000 -4.324) 4.636 13.995 ( -10.683 0.000 1.897) 10.850 13.995 ( 10.683 0.000 1.897) 10.850 14.385 ( -6.966 0.000 -6.930) 9.826 14.385 ( 6.966 0.000 -6.930) 9.826 15.207 ( -0.714 0.000 -3.326) 3.401 15.207 ( 0.714 0.000 -3.326) 3.401 18.138 ( -3.157 0.000 4.653) 5.623 18.138 ( 3.157 0.000 4.653) 5.623 19.157 ( -5.388 0.000 -1.664) 5.639 19.157 ( 5.388 0.000 -1.664) 5.639 21.043 ( -1.629 0.000 27.361) 27.410 21.043 ( 1.629 0.000 27.361) 27.410 22.087 ( -0.312 0.000 -24.966) 24.968 22.087 ( 0.312 0.000 -24.966) 24.968 28.698 ( -14.975 0.000 11.062) 18.618 28.698 ( 14.975 0.000 11.062) 18.618 30.012 ( -10.719 0.000 -9.202) 14.127 30.012 ( 10.719 0.000 -9.202) 14.127 31.527 ( -9.443 0.000 4.177) 10.325 31.527 ( 9.443 0.000 4.177) 10.325 32.296 ( -3.042 0.000 -9.431) 9.910 32.296 ( 3.042 0.000 -9.431) 9.910 34.204 ( -0.006 0.000 -0.240) 0.240 34.204 ( 0.006 0.000 -0.240) 0.240 34.785 ( -0.294 0.000 0.622) 0.688 34.785 ( 0.294 0.000 0.622) 0.688======================= Grid point 280 (94/126) =======================q-point: ( 0.00 0.09 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( 0.000 1.180 8.331) 8.415 1.792 ( 0.000 9.620 -1.991) 9.824 2.079 ( 0.000 14.054 23.396) 27.293 2.534 ( 0.000 25.977 4.028) 26.288 2.601 ( 0.000 6.833 1.217) 6.940 2.604 ( 0.000 20.532 -1.667) 20.599 2.746 ( 0.000 12.007 -4.652) 12.877 3.008 ( 0.000 9.876 -19.320) 21.697 5.750 ( 0.000 -9.301 33.437) 34.706 6.316 ( 0.000 -11.925 8.626) 14.717 6.475 ( 0.000 -12.673 6.667) 14.320 6.715 ( 0.000 -12.226 -18.130) 21.867 7.061 ( 0.000 -8.511 16.995) 19.007 7.457 ( 0.000 -8.226 5.475) 9.881 7.758 ( 0.000 -4.073 -1.434) 4.318 7.766 ( 0.000 -1.277 10.366) 10.445 7.972 ( 0.000 10.795 1.039) 10.845 8.230 ( 0.000 10.676 -12.604) 16.518 9.556 ( 0.000 -2.583 3.643) 4.466 9.876 ( 0.000 -4.747 -9.577) 10.689 9.890 ( 0.000 1.183 7.690) 7.781 10.469 ( 0.000 -1.252 -19.274) 19.315 10.650 ( 0.000 1.609 5.868) 6.085 11.011 ( 0.000 4.200 -11.568) 12.307 11.064 ( 0.000 -0.440 6.484) 6.499 11.328 ( 0.000 -0.472 -6.710) 6.727 13.372 ( 0.000 1.271 8.122) 8.221 13.430 ( 0.000 -2.920 -0.548) 2.971 13.490 ( 0.000 0.264 -3.566) 3.576 13.879 ( 0.000 2.797 -18.771) 18.979 14.418 ( 0.000 6.347 5.678) 8.516 14.694 ( 0.000 5.927 -7.985) 9.944 14.976 ( 0.000 -12.697 1.554) 12.792 15.165 ( 0.000 -7.943 -8.183) 11.404 18.090 ( 0.000 7.285 11.956) 14.000 18.466 ( 0.000 9.224 -7.340) 11.788 18.903 ( 0.000 -5.503 8.715) 10.307 19.218 ( 0.000 -5.028 -6.755) 8.421 20.972 ( 0.000 -0.548 29.387) 29.392 21.113 ( 0.000 -2.955 26.389) 26.554 22.054 ( 0.000 0.904 -25.853) 25.868 22.121 ( 0.000 0.695 -25.515) 25.524 28.275 ( 0.000 0.495 16.687) 16.695 28.886 ( 0.000 1.280 -15.075) 15.129 29.895 ( 0.000 -19.206 13.341) 23.385 30.316 ( 0.000 -7.870 -6.578) 10.257 31.060 ( 0.000 0.497 19.213) 19.219 31.768 ( 0.000 -1.357 -17.043) 17.097 31.949 ( 0.000 -21.118 0.538) 21.125 32.245 ( 0.000 -9.607 -11.533) 15.011 34.453 ( 0.000 28.638 2.951) 28.790 34.629 ( 0.000 32.759 -6.554) 33.408 34.728 ( 0.000 -4.300 2.259) 4.857 34.793 ( 0.000 -2.168 -1.311) 2.533======================= Grid point 281 (95/126) =======================q-point: ( 0.25 0.09 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( -25.620 13.809 5.039) 29.537 1.424 ( -23.544 12.352 -4.014) 26.889 2.164 ( -3.930 1.683 8.756) 9.744 2.423 ( -4.688 15.365 -1.480) 16.132 2.549 ( 1.268 24.351 1.353) 24.422 2.637 ( -2.017 23.086 -2.980) 23.365 3.012 ( 30.995 5.911 12.141) 33.809 3.478 ( 22.360 -2.057 -10.992) 25.001 5.523 ( -13.025 -1.814 24.509) 27.814 6.093 ( -24.277 -6.085 -2.721) 25.176 6.533 ( 12.248 -11.548 10.963) 20.089 6.842 ( 3.641 -11.067 -4.799) 12.600 7.056 ( -2.323 -9.366 16.429) 19.053 7.371 ( -4.199 -0.218 13.823) 14.449 7.611 ( -3.330 0.926 -3.361) 4.821 7.831 ( 0.357 -2.081 -4.961) 5.391 8.194 ( 12.690 2.216 5.058) 13.840 8.366 ( 11.936 -2.083 -5.314) 13.231 9.511 ( -5.630 -5.141 3.439) 8.364 9.700 ( -5.710 2.490 -2.037) 6.554 10.068 ( 8.017 -2.144 -2.575) 8.689 10.391 ( -6.891 -1.602 -15.568) 17.100 10.688 ( 3.169 2.275 3.666) 5.354 10.950 ( -5.160 4.477 -2.942) 7.438 11.088 ( 2.283 -0.366 -2.373) 3.313 11.265 ( -5.047 -0.650 -6.633) 8.360 13.283 ( -2.992 2.955 0.351) 4.220 13.377 ( -5.791 2.585 -3.739) 7.362 13.678 ( 14.865 -2.745 2.834) 15.380 13.999 ( 7.370 -1.036 -13.619) 15.519 14.364 ( -3.927 5.904 4.787) 8.555 14.631 ( -5.781 5.984 -8.237) 11.708 15.003 ( 2.110 -12.733 0.872) 12.936 15.170 ( 0.303 -7.382 -7.593) 10.594 18.103 ( 1.208 5.966 11.106) 12.665 18.391 ( -5.479 9.943 -2.805) 11.694 18.987 ( 6.540 -4.559 3.710) 8.793 19.193 ( -2.561 -4.753 -5.485) 7.697 20.972 ( 0.009 -2.005 28.792) 28.862 21.096 ( -1.418 -1.419 27.221) 27.295 22.046 ( -0.483 -0.619 -25.650) 25.662 22.136 ( 1.002 2.099 -25.536) 25.642 28.395 ( 11.348 -0.364 16.308) 19.871 28.878 ( -3.375 -0.444 -5.362) 6.351 29.820 ( -2.630 -13.828 4.599) 14.808 30.192 ( -11.349 -7.708 -9.493) 16.683 31.201 ( 11.311 -3.451 16.406) 20.224 31.667 ( -7.748 -5.847 -4.127) 10.548 32.033 ( 5.837 -15.378 -7.987) 18.285 32.219 ( -2.528 -10.139 -11.514) 15.549 34.455 ( 0.175 28.386 3.057) 28.551 34.623 ( -0.444 30.239 -5.359) 30.713 34.738 ( 0.895 -1.910 0.880) 2.285 34.786 ( -0.591 -1.792 -1.183) 2.227======================= Grid point 282 (96/126) =======================q-point: (-0.50 0.09 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( 0.000 17.311 -3.078) 17.582 1.070 ( -0.000 20.848 -8.933) 22.681 2.124 ( 0.000 0.498 10.434) 10.446 2.373 ( 0.000 12.590 -1.072) 12.636 2.578 ( 0.000 24.140 0.576) 24.147 2.606 ( 0.000 24.327 -1.523) 24.375 3.515 ( -0.000 -6.675 7.390) 9.959 3.594 ( 0.000 -2.576 3.121) 4.047 5.444 ( 0.000 -2.872 13.309) 13.615 5.729 ( -0.000 10.125 -2.931) 10.541 6.706 ( 0.000 -13.591 8.976) 16.287 6.830 ( 0.000 -7.202 6.904) 9.976 7.014 ( 0.000 -10.559 10.544) 14.923 7.325 ( 0.000 4.961 17.482) 18.173 7.625 ( 0.000 -3.337 -9.677) 10.236 7.802 ( 0.000 4.325 -4.961) 6.582 8.353 ( 0.000 -12.509 6.559) 14.124 8.521 ( 0.000 -3.953 -0.794) 4.032 9.410 ( 0.000 -6.370 3.065) 7.069 9.658 ( 0.000 5.229 -3.843) 6.489 10.203 ( -0.000 -2.703 -8.141) 8.578 10.252 ( 0.000 -0.456 -8.325) 8.337 10.740 ( -0.000 1.311 2.121) 2.493 10.872 ( 0.000 6.759 -1.259) 6.875 11.133 ( -0.000 -2.542 -3.547) 4.364 11.187 ( 0.000 0.529 -7.492) 7.511 13.263 ( 0.000 4.200 -3.063) 5.198 13.302 ( 0.000 4.531 -2.966) 5.415 13.946 ( -0.000 -2.046 -1.462) 2.515 13.986 ( 0.000 -3.943 0.168) 3.946 14.354 ( 0.000 2.985 -2.038) 3.614 14.529 ( -0.000 8.006 -8.668) 11.800 15.031 ( 0.000 -13.007 0.084) 13.007 15.173 ( 0.000 -6.729 -6.926) 9.657 18.123 ( 0.000 3.490 10.073) 10.660 18.322 ( 0.000 12.333 0.257) 12.336 19.109 ( -0.000 -4.117 -1.565) 4.405 19.118 ( 0.000 -4.484 -2.291) 5.035 20.972 ( 0.000 -3.998 28.008) 28.292 21.077 ( 0.000 0.644 28.251) 28.258 22.041 ( 0.000 -1.658 -25.489) 25.542 22.148 ( 0.000 3.021 -25.524) 25.702 28.665 ( -0.000 -2.514 12.141) 12.398 28.694 ( 0.000 -1.175 11.304) 11.364 29.906 ( -0.000 -9.992 -9.360) 13.692 29.950 ( 0.000 -6.847 -10.376) 12.432 31.384 ( -0.000 -7.960 11.921) 14.334 31.530 ( 0.000 -5.031 4.671) 6.865 32.132 ( 0.000 -13.095 -11.068) 17.146 32.155 ( -0.000 -10.812 -11.116) 15.507 34.458 ( 0.000 28.132 3.167) 28.310 34.617 ( 0.000 28.380 -4.444) 28.726 34.752 ( 0.000 0.204 -0.546) 0.582 34.776 ( -0.000 -1.800 -0.729) 1.942======================= Grid point 285 (97/126) =======================q-point: ( 0.00 0.18 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 0.000 10.135 7.662) 12.705 2.000 ( 0.000 11.336 -7.722) 13.717 2.433 ( 0.000 20.627 18.061) 27.417 2.843 ( 0.000 16.787 5.790) 17.758 3.004 ( 0.000 14.550 -9.974) 17.641 3.032 ( 0.000 16.451 -3.142) 16.749 3.170 ( 0.000 35.601 4.737) 35.915 3.378 ( 0.000 29.268 -6.435) 29.967 5.544 ( 0.000 -9.877 29.486) 31.097 6.020 ( 0.000 -17.227 5.204) 17.996 6.133 ( 0.000 -20.528 4.527) 21.021 6.448 ( 0.000 -13.167 -19.514) 23.541 6.814 ( 0.000 -15.831 13.085) 20.539 7.176 ( 0.000 -17.579 -1.730) 17.663 7.721 ( 0.000 -3.775 17.951) 18.343 7.797 ( 0.000 4.748 12.950) 13.793 8.179 ( 0.000 8.814 -3.151) 9.360 8.387 ( 0.000 5.178 -10.486) 11.695 9.435 ( 0.000 -9.963 3.559) 10.579 9.777 ( 0.000 -4.734 -11.889) 12.797 9.935 ( 0.000 3.462 5.406) 6.420 10.441 ( 0.000 -1.435 -18.389) 18.445 10.716 ( 0.000 5.319 7.748) 9.398 11.042 ( 0.000 -1.806 6.095) 6.357 11.120 ( 0.000 6.345 -11.285) 12.946 11.308 ( 0.000 -1.789 -7.051) 7.274 13.360 ( 0.000 -4.013 0.836) 4.099 13.430 ( 0.000 4.795 8.866) 10.079 13.489 ( 0.000 -0.222 -5.340) 5.345 13.956 ( 0.000 4.626 -18.754) 19.316 14.575 ( 0.000 8.885 5.839) 10.632 14.662 ( 0.000 -18.120 3.233) 18.406 14.847 ( 0.000 9.025 -7.987) 12.051 14.935 ( 0.000 -14.625 -10.193) 17.827 18.286 ( 0.000 11.829 12.884) 17.491 18.693 ( 0.000 12.723 -7.950) 15.003 18.754 ( 0.000 -9.175 9.555) 13.247 19.083 ( 0.000 -8.301 -6.608) 10.610 20.960 ( 0.000 -0.559 30.345) 30.350 21.049 ( 0.000 -3.109 28.972) 29.138 22.077 ( 0.000 1.401 -26.763) 26.800 22.137 ( 0.000 0.854 -27.092) 27.105 28.289 ( 0.000 0.937 17.454) 17.479 28.919 ( 0.000 1.948 -15.267) 15.391 29.430 ( 0.000 -25.820 18.867) 31.979 30.062 ( 0.000 -17.904 -13.283) 22.294 31.081 ( 0.000 1.746 18.630) 18.711 31.533 ( 0.000 -18.145 10.641) 21.035 31.746 ( 0.000 -0.443 -15.352) 15.359 32.061 ( 0.000 -8.345 -14.645) 16.856 34.609 ( 0.000 -7.562 2.727) 8.039 34.715 ( 0.000 -5.857 -2.924) 6.546 35.146 ( 0.000 37.875 1.906) 37.923 35.343 ( 0.000 37.091 -8.628) 38.081======================= Grid point 286 (98/126) =======================q-point: ( 0.25 0.18 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( -11.748 19.369 3.903) 22.987 1.752 ( -16.696 19.701 -4.409) 26.198 2.310 ( -8.027 13.552 12.363) 20.023 2.758 ( -9.239 18.850 -7.119) 22.167 3.077 ( 11.379 14.876 5.304) 19.466 3.168 ( 2.751 23.845 0.476) 24.008 3.260 ( 7.381 27.591 3.325) 28.754 3.471 ( 7.247 7.827 -5.917) 12.198 5.485 ( -3.557 -1.738 24.470) 24.788 5.990 ( -5.186 -3.595 -2.530) 6.799 6.208 ( 10.825 -20.313 8.853) 24.662 6.550 ( 4.606 -17.168 -9.064) 19.953 6.803 ( -1.753 -15.908 14.224) 21.411 7.208 ( 3.293 -14.884 2.483) 15.445 7.714 ( -1.407 5.836 8.292) 10.237 7.775 ( 1.855 -2.079 7.335) 7.847 8.235 ( -4.422 1.373 -0.981) 4.733 8.319 ( 1.406 -2.484 -5.729) 6.401 9.366 ( -5.950 -9.221 5.821) 12.422 9.750 ( -0.679 2.009 -7.787) 8.070 10.027 ( 6.822 -1.277 -1.599) 7.122 10.360 ( -6.772 -1.236 -14.423) 15.982 10.764 ( 3.535 5.375 4.954) 8.120 11.019 ( -1.521 -0.169 4.279) 4.544 11.111 ( -1.402 4.625 -8.847) 10.080 11.246 ( -4.365 -1.141 -8.042) 9.221 13.359 ( 0.644 3.377 1.516) 3.757 13.442 ( -2.211 4.448 -2.481) 5.552 13.606 ( 13.083 -4.124 3.648) 14.194 13.996 ( 1.635 0.903 -15.045) 15.161 14.485 ( -5.226 2.604 3.709) 6.917 14.721 ( 3.012 -11.754 3.356) 12.590 14.751 ( -6.511 2.875 -9.202) 11.634 14.982 ( 2.321 -7.894 -9.099) 12.268 18.263 ( -1.860 9.045 13.762) 16.573 18.617 ( -3.002 11.148 -1.184) 11.606 18.877 ( 7.157 -5.260 0.697) 8.910 19.066 ( -1.766 -7.556 -5.510) 9.517 20.928 ( -2.200 -2.052 29.716) 29.868 21.066 ( 1.016 -1.380 29.668) 29.717 22.044 ( -1.859 0.415 -26.898) 26.966 22.175 ( 2.184 1.719 -26.794) 26.938 28.384 ( 9.058 -0.687 17.068) 19.335 28.853 ( -7.677 -2.696 -0.947) 8.192 29.474 ( 5.981 -19.101 4.014) 20.414 29.953 ( -10.047 -16.385 -13.986) 23.770 31.153 ( 6.234 -1.064 17.903) 18.988 31.458 ( -5.890 -13.152 10.903) 18.071 31.821 ( 5.730 -5.016 -13.857) 15.812 32.028 ( -3.176 -8.399 -14.388) 16.960 34.621 ( 1.053 -7.057 2.167) 7.457 34.703 ( -0.995 -5.807 -2.077) 6.247 35.153 ( 0.573 37.982 1.296) 38.008 35.338 ( -0.436 36.580 -8.324) 37.518======================= Grid point 287 (99/126) =======================q-point: (-0.50 0.18 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( 0.000 27.560 0.100) 27.560 1.542 ( -0.000 25.502 -5.904) 26.177 2.222 ( 0.000 10.201 14.084) 17.391 2.659 ( 0.000 16.879 -5.609) 17.786 3.169 ( -0.000 30.407 1.048) 30.425 3.183 ( 0.000 23.628 0.779) 23.640 3.394 ( 0.000 2.575 4.038) 4.789 3.547 ( 0.000 1.089 -2.819) 3.022 5.445 ( 0.000 2.859 22.974) 23.152 5.943 ( -0.000 10.841 -5.549) 12.179 6.349 ( -0.000 -21.548 9.633) 23.603 6.585 ( 0.000 -17.226 -2.958) 17.478 6.767 ( -0.000 -14.677 15.610) 21.427 7.257 ( 0.000 -12.583 7.546) 14.672 7.687 ( 0.000 9.394 -3.251) 9.941 7.877 ( 0.000 3.146 -2.431) 3.976 8.065 ( 0.000 -15.304 9.897) 18.225 8.391 ( 0.000 -8.512 -5.439) 10.101 9.283 ( 0.000 -6.658 8.538) 10.827 9.749 ( 0.000 4.164 -6.682) 7.873 10.143 ( -0.000 -3.275 -7.469) 8.156 10.241 ( 0.000 -0.206 -9.561) 9.564 10.810 ( 0.000 5.069 3.901) 6.396 11.008 ( 0.000 5.724 0.071) 5.725 11.073 ( 0.000 -3.134 -2.188) 3.823 11.201 ( 0.000 1.626 -11.304) 11.420 13.384 ( 0.000 2.976 0.656) 3.047 13.396 ( 0.000 8.727 -1.818) 8.915 13.859 ( -0.000 -7.868 -0.338) 7.875 13.924 ( 0.000 -0.221 -5.235) 5.239 14.444 ( 0.000 2.143 -0.672) 2.245 14.654 ( -0.000 2.122 -10.751) 10.958 14.759 ( 0.000 -10.646 3.228) 11.124 15.006 ( 0.000 -6.707 -8.705) 10.989 18.239 ( 0.000 6.824 14.550) 16.071 18.589 ( 0.000 13.755 -1.026) 13.794 18.985 ( -0.000 -8.584 -3.129) 9.137 19.017 ( 0.000 -4.315 -2.754) 5.119 20.902 ( 0.000 -2.786 29.478) 29.610 21.077 ( 0.000 -0.417 29.975) 29.978 22.024 ( 0.000 -0.060 -26.864) 26.864 22.199 ( 0.000 2.075 -26.659) 26.740 28.597 ( -0.000 -4.332 14.081) 14.732 28.649 ( 0.000 -3.438 13.139) 13.581 29.635 ( -0.000 -16.336 -9.496) 18.896 29.749 ( 0.000 -13.084 -13.094) 18.510 31.265 ( -0.000 -3.633 16.982) 17.366 31.354 ( 0.000 -10.670 12.553) 16.475 31.927 ( 0.000 -6.507 -13.629) 15.103 31.950 ( -0.000 -8.968 -14.159) 16.760 34.637 ( 0.000 -6.359 1.315) 6.493 34.688 ( -0.000 -5.971 -0.955) 6.047 35.161 ( -0.000 38.172 0.675) 38.178 35.332 ( 0.000 36.007 -7.990) 36.883======================= Grid point 290 (100/126) =======================q-point: ( 0.00 0.27 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 0.000 16.882 4.901) 17.579 2.241 ( 0.000 12.781 -8.929) 15.591 2.853 ( 0.000 20.611 11.042) 23.382 3.181 ( 0.000 4.395 -5.545) 7.076 3.214 ( 0.000 19.278 7.209) 20.581 3.386 ( 0.000 19.204 -1.587) 19.270 3.861 ( 0.000 32.716 5.206) 33.128 4.035 ( 0.000 33.378 -2.572) 33.477 5.412 ( 0.000 -2.640 24.663) 24.803 5.629 ( 0.000 -22.284 4.586) 22.751 5.739 ( 0.000 -18.211 -0.372) 18.215 6.245 ( 0.000 -6.426 -19.752) 20.771 6.473 ( 0.000 -17.301 13.196) 21.759 6.807 ( 0.000 -19.133 -2.343) 19.276 7.610 ( 0.000 -7.242 22.352) 23.496 7.889 ( 0.000 4.094 16.036) 16.550 8.284 ( 0.000 1.161 -8.382) 8.462 8.445 ( 0.000 1.076 -7.333) 7.412 9.187 ( 0.000 -13.919 6.884) 15.528 9.694 ( 0.000 -3.560 -15.340) 15.747 10.023 ( 0.000 5.190 2.649) 5.827 10.411 ( 0.000 -1.754 -15.828) 15.925 10.856 ( 0.000 8.438 8.831) 12.214 10.999 ( 0.000 -2.189 4.446) 4.956 11.245 ( 0.000 5.868 -9.266) 10.968 11.252 ( 0.000 -3.852 -7.684) 8.596 13.279 ( 0.000 -3.899 2.260) 4.507 13.488 ( 0.000 0.260 -7.347) 7.352 13.559 ( 0.000 7.866 8.551) 11.619 14.040 ( 0.000 3.099 -16.207) 16.500 14.292 ( 0.000 -18.460 3.937) 18.875 14.619 ( 0.000 -16.471 -11.523) 20.102 14.761 ( 0.000 9.992 5.580) 11.445 15.031 ( 0.000 9.097 -8.267) 12.293 18.529 ( 0.000 12.010 13.086) 17.762 18.557 ( 0.000 -10.257 10.753) 14.861 18.907 ( 0.000 -9.030 -6.672) 11.228 18.939 ( 0.000 11.502 -7.840) 13.920 20.953 ( 0.000 -0.161 31.329) 31.330 21.001 ( 0.000 -1.593 30.670) 30.711 22.106 ( 0.000 1.407 -27.690) 27.726 22.154 ( 0.000 0.860 -28.470) 28.483 28.310 ( 0.000 1.181 18.273) 18.311 28.933 ( 0.000 -23.363 20.247) 30.916 28.958 ( 0.000 1.823 -15.303) 15.411 29.640 ( 0.000 -23.097 -16.774) 28.546 31.132 ( 0.000 3.342 18.068) 18.374 31.270 ( 0.000 -8.791 17.102) 19.229 31.762 ( 0.000 2.122 -14.078) 14.237 31.920 ( 0.000 -5.962 -15.713) 16.806 34.438 ( 0.000 -9.375 2.840) 9.796 34.564 ( 0.000 -9.008 -3.855) 9.798 35.862 ( 0.000 33.091 1.183) 33.113 36.034 ( 0.000 31.651 -8.044) 32.657======================= Grid point 291 (101/126) =======================q-point: ( 0.25 0.27 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( -0.845 20.257 4.023) 20.670 2.154 ( -7.411 19.640 -5.977) 21.826 2.686 ( -12.035 23.222 12.026) 28.788 3.133 ( -1.127 5.458 -5.194) 7.618 3.197 ( -8.210 15.725 3.275) 18.039 3.386 ( 3.979 8.612 -2.758) 9.879 3.895 ( 2.434 31.896 2.969) 32.126 4.005 ( -2.617 32.839 -2.477) 33.036 5.467 ( 4.994 -0.206 25.725) 26.206 5.722 ( 7.221 -24.476 5.706) 26.149 5.927 ( 14.950 -10.932 0.338) 18.524 6.274 ( 0.834 -5.881 -12.148) 13.522 6.451 ( -1.791 -18.509 13.321) 22.875 6.847 ( 3.497 -20.282 -3.916) 20.951 7.629 ( 3.389 -8.153 17.991) 20.041 7.882 ( -0.546 5.580 11.618) 12.900 8.247 ( -5.393 -1.321 -5.238) 7.633 8.270 ( -12.933 -0.625 -8.611) 15.550 9.166 ( -1.696 -10.298 9.224) 13.928 9.746 ( 3.945 -3.061 -15.133) 15.935 10.050 ( 2.720 4.012 1.048) 4.959 10.347 ( -5.533 -0.087 -12.790) 13.936 10.878 ( 1.034 4.553 5.479) 7.199 10.985 ( 0.362 -1.093 2.468) 2.723 11.175 ( -5.869 -0.696 -4.536) 7.450 11.276 ( 1.495 5.692 -9.771) 11.407 13.367 ( 5.235 -2.336 0.780) 5.785 13.489 ( 2.662 -2.550 -4.402) 5.741 13.617 ( 4.652 7.710 7.267) 11.571 14.018 ( -3.291 0.327 -11.597) 12.060 14.270 ( -1.292 -16.949 1.471) 17.061 14.575 ( -3.077 -13.315 -12.164) 18.295 14.780 ( 1.021 9.163 3.781) 9.965 15.030 ( -0.074 7.965 -8.010) 11.296 18.395 ( -5.644 2.204 15.116) 16.285 18.697 ( 5.973 -2.609 8.378) 10.615 18.882 ( -1.119 0.801 -9.139) 9.242 18.964 ( 1.296 3.546 -5.121) 6.362 20.902 ( -2.804 -0.409 30.858) 30.988 21.043 ( 2.090 -1.003 31.216) 31.302 22.062 ( -2.261 1.447 -28.210) 28.338 22.200 ( 2.436 0.753 -27.907) 28.023 28.369 ( 5.567 -0.895 17.885) 18.752 28.735 ( -10.409 -10.069 11.863) 18.721 29.154 ( 10.244 -11.263 -7.285) 16.877 29.575 ( -6.054 -20.437 -16.293) 26.829 31.154 ( 1.899 0.596 17.651) 17.763 31.256 ( -1.367 -6.279 17.347) 18.499 31.783 ( 1.905 0.230 -14.285) 14.413 31.897 ( -2.101 -4.799 -15.126) 16.007 34.456 ( 1.647 -9.215 2.005) 9.573 34.552 ( -1.165 -9.098 -2.965) 9.640 35.874 ( 1.038 33.365 0.327) 33.383 36.020 ( -1.200 31.290 -7.307) 32.154======================= Grid point 292 (102/126) =======================q-point: (-0.50 0.27 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 0.000 28.587 0.635) 28.594 2.023 ( -0.000 21.500 0.532) 21.507 2.543 ( 0.000 22.094 10.936) 24.652 3.051 ( 0.000 22.583 -8.190) 24.022 3.161 ( -0.000 -5.327 5.143) 7.405 3.429 ( 0.000 4.248 -5.615) 7.041 3.947 ( -0.000 30.491 -0.393) 30.494 3.947 ( 0.000 32.613 -0.333) 32.615 5.539 ( 0.000 5.571 27.273) 27.836 5.812 ( 0.000 -26.472 5.734) 27.086 6.183 ( -0.000 -22.111 -3.494) 22.385 6.206 ( 0.000 9.223 1.903) 9.417 6.430 ( -0.000 -18.738 12.054) 22.280 6.895 ( 0.000 -22.355 -4.508) 22.805 7.722 ( 0.000 -12.204 13.608) 18.279 7.920 ( 0.000 0.637 3.514) 3.571 7.974 ( 0.000 11.901 -0.234) 11.903 8.214 ( 0.000 -8.192 -9.867) 12.824 9.145 ( 0.000 -7.198 11.787) 13.811 9.795 ( 0.000 -1.670 -14.391) 14.487 10.104 ( -0.000 1.097 -1.719) 2.039 10.258 ( 0.000 2.192 -9.582) 9.830 10.881 ( 0.000 -0.036 2.300) 2.300 11.040 ( -0.000 -2.303 -2.610) 3.481 11.063 ( 0.000 4.169 1.356) 4.384 11.293 ( 0.000 7.116 -9.579) 11.932 13.403 ( 0.000 -0.975 1.730) 1.986 13.547 ( 0.000 2.227 -7.000) 7.346 13.729 ( -0.000 -1.571 7.571) 7.733 13.916 ( 0.000 -1.592 -2.828) 3.245 14.270 ( 0.000 -14.878 -2.474) 15.082 14.534 ( -0.000 -10.988 -15.535) 19.028 14.790 ( 0.000 9.610 3.600) 10.262 15.029 ( 0.000 6.855 -7.759) 10.354 18.335 ( 0.000 1.884 16.343) 16.451 18.758 ( 0.000 -6.992 5.933) 9.170 18.874 ( 0.000 7.685 -9.288) 12.055 18.977 ( 0.000 1.077 -3.857) 4.005 20.871 ( 0.000 -0.279 30.783) 30.784 21.065 ( 0.000 -0.788 31.369) 31.379 22.038 ( 0.000 1.496 -28.336) 28.375 22.227 ( 0.000 0.636 -27.731) 27.739 28.496 ( 0.000 -5.740 16.206) 17.193 28.559 ( 0.000 -5.506 16.175) 17.087 29.309 ( -0.000 -15.452 -11.187) 19.077 29.460 ( 0.000 -15.202 -15.295) 21.564 31.186 ( -0.000 -5.517 16.623) 17.514 31.230 ( 0.000 -0.401 18.205) 18.210 31.820 ( 0.000 -3.968 -15.412) 15.915 31.857 ( -0.000 -1.303 -13.624) 13.686 34.483 ( 0.000 -8.858 0.665) 8.883 34.531 ( -0.000 -9.384 -1.569) 9.514 35.890 ( -0.000 33.861 -0.736) 33.869 36.003 ( 0.000 30.707 -6.363) 31.360======================= Grid point 295 (103/126) =======================q-point: ( 0.00 0.36 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.294 ( 0.000 16.723 1.522) 16.792 2.481 ( 0.000 10.592 -6.675) 12.520 3.142 ( 0.000 2.673 5.674) 6.272 3.265 ( 0.000 10.110 0.104) 10.111 3.573 ( 0.000 16.987 7.255) 18.471 3.778 ( 0.000 19.514 -3.203) 19.775 4.424 ( 0.000 23.396 5.083) 23.942 4.603 ( 0.000 22.389 -2.860) 22.571 5.191 ( 0.000 -20.859 7.474) 22.157 5.382 ( 0.000 -18.504 -4.176) 18.970 5.444 ( 0.000 5.460 21.807) 22.481 6.190 ( 0.000 -10.104 12.292) 15.912 6.199 ( 0.000 0.854 -15.033) 15.057 6.449 ( 0.000 -16.092 -0.941) 16.120 7.459 ( 0.000 -6.920 19.994) 21.158 7.952 ( 0.000 2.302 15.623) 15.791 8.222 ( 0.000 -6.769 -14.366) 15.881 8.446 ( 0.000 -0.606 -4.774) 4.812 8.930 ( 0.000 -11.080 13.473) 17.444 9.641 ( 0.000 -1.730 -18.958) 19.037 10.127 ( 0.000 4.945 0.395) 4.961 10.367 ( 0.000 -2.681 -11.222) 11.538 10.970 ( 0.000 -0.494 0.638) 0.807 11.029 ( 0.000 8.531 8.790) 12.249 11.162 ( 0.000 -4.901 -7.757) 9.176 11.335 ( 0.000 2.863 -5.365) 6.081 13.216 ( 0.000 -2.289 3.368) 4.073 13.504 ( 0.000 1.343 -8.734) 8.837 13.724 ( 0.000 8.398 6.454) 10.592 13.963 ( 0.000 -14.027 2.947) 14.333 14.060 ( 0.000 -1.158 -10.120) 10.186 14.311 ( 0.000 -14.009 -12.065) 18.489 14.967 ( 0.000 10.366 2.975) 10.784 15.187 ( 0.000 6.116 -7.973) 10.048 18.367 ( 0.000 -8.425 12.032) 14.688 18.738 ( 0.000 8.658 12.803) 15.456 18.742 ( 0.000 -7.182 -7.018) 10.042 19.131 ( 0.000 7.680 -7.274) 10.578 20.953 ( 0.000 0.146 32.040) 32.041 20.984 ( 0.000 -0.337 31.375) 31.377 22.130 ( 0.000 1.021 -28.315) 28.333 22.171 ( 0.000 0.748 -29.305) 29.315 28.333 ( 0.000 1.026 18.839) 18.867 28.537 ( 0.000 -16.034 19.060) 24.907 28.988 ( 0.000 1.183 -15.113) 15.159 29.216 ( 0.000 -18.279 -16.458) 24.596 31.157 ( 0.000 -3.385 18.713) 19.016 31.206 ( 0.000 3.747 17.761) 18.152 31.823 ( 0.000 3.652 -13.724) 14.201 31.825 ( 0.000 -3.582 -15.422) 15.833 34.258 ( 0.000 -8.207 2.577) 8.602 34.380 ( 0.000 -8.900 -3.798) 9.676 36.415 ( 0.000 21.989 1.207) 22.022 36.561 ( 0.000 20.957 -6.639) 21.984======================= Grid point 296 (104/126) =======================q-point: ( 0.25 0.36 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.292 ( 1.025 15.537 2.714) 15.806 2.467 ( -1.804 10.285 -5.040) 11.595 3.139 ( -5.581 10.434 5.721) 13.143 3.165 ( -1.564 15.914 4.596) 16.638 3.607 ( 1.331 16.454 -1.064) 16.542 3.668 ( -8.351 23.087 -4.061) 24.885 4.425 ( 0.516 20.278 4.119) 20.698 4.569 ( -4.098 22.274 -2.669) 22.805 5.195 ( 3.258 -24.046 7.903) 25.520 5.396 ( 5.786 -17.125 1.512) 18.139 5.714 ( 15.024 -0.724 17.916) 23.393 6.088 ( -3.153 -15.416 4.499) 16.365 6.267 ( -0.435 -5.504 3.855) 6.733 6.505 ( 4.266 -8.691 -5.963) 11.370 7.465 ( 1.424 -7.166 14.541) 16.273 7.913 ( -3.901 -3.038 7.572) 9.043 8.187 ( -2.822 -1.868 -8.249) 8.917 8.327 ( -8.412 4.192 -1.059) 9.458 8.984 ( 3.334 -7.445 11.006) 13.700 9.637 ( -0.052 -7.260 -16.882) 18.377 10.165 ( 3.102 6.676 -0.466) 7.376 10.352 ( -1.516 0.442 -9.715) 9.842 10.885 ( -4.825 -1.811 -0.794) 5.214 10.998 ( -3.265 -0.820 -2.032) 3.932 11.192 ( 1.840 4.498 1.581) 5.111 11.386 ( 3.541 4.183 -4.556) 7.127 13.292 ( 6.264 -4.322 1.111) 7.691 13.448 ( -2.999 -0.993 -4.848) 5.787 13.774 ( 2.367 5.789 6.890) 9.305 13.933 ( -5.002 -10.826 0.775) 11.951 14.018 ( -0.325 -4.580 -6.904) 8.291 14.331 ( 1.169 -10.012 -14.828) 17.930 14.987 ( 1.510 10.623 2.134) 10.940 15.181 ( -0.436 6.386 -7.436) 9.811 18.345 ( -1.744 -5.012 12.720) 13.782 18.605 ( -4.671 -6.112 3.595) 8.491 18.912 ( 8.145 4.279 0.232) 9.204 19.115 ( -1.818 7.183 -6.037) 9.558 20.912 ( -2.124 1.290 31.654) 31.752 21.022 ( 1.877 -1.250 31.853) 31.932 22.099 ( -1.690 2.136 -28.976) 29.104 22.204 ( 1.815 -0.367 -28.684) 28.744 28.350 ( 1.673 -0.923 18.436) 18.535 28.495 ( -3.447 -11.880 18.370) 22.147 29.023 ( 2.740 -3.581 -14.264) 14.960 29.203 ( -1.169 -15.804 -16.222) 22.678 31.144 ( -0.805 -1.109 18.136) 18.188 31.218 ( 0.777 1.038 18.133) 18.179 31.802 ( -0.901 0.501 -15.117) 15.152 31.846 ( 0.802 0.206 -13.817) 13.842 34.277 ( 1.711 -8.305 1.722) 8.652 34.366 ( -1.320 -8.947 -2.904) 9.499 36.431 ( 1.481 22.112 0.185) 22.163 36.542 ( -1.717 20.809 -5.698) 21.643======================= Grid point 297 (105/126) =======================q-point: (-0.50 0.36 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.343 ( 0.000 10.557 3.657) 11.172 2.411 ( -0.000 14.237 -1.319) 14.298 3.051 ( 0.000 27.279 5.556) 27.839 3.171 ( 0.000 9.492 3.855) 10.245 3.560 ( 0.000 28.077 -5.170) 28.549 3.616 ( 0.000 15.255 -5.526) 16.225 4.455 ( -0.000 18.999 1.851) 19.089 4.486 ( 0.000 19.028 -0.256) 19.030 5.268 ( -0.000 -26.055 7.113) 27.008 5.479 ( 0.000 -19.354 -0.310) 19.356 5.853 ( 0.000 -7.568 23.737) 24.914 6.122 ( -0.000 -6.447 7.435) 9.841 6.214 ( 0.000 -16.908 4.787) 17.573 6.546 ( 0.000 -4.964 -4.110) 6.444 7.505 ( 0.000 -7.561 7.950) 10.971 7.844 ( -0.000 -8.755 -1.879) 8.954 8.147 ( 0.000 2.291 -1.336) 2.652 8.230 ( 0.000 11.605 1.532) 11.706 9.019 ( 0.000 -4.253 9.775) 10.661 9.640 ( 0.000 -12.911 -14.834) 19.666 10.210 ( 0.000 8.121 -0.969) 8.179 10.324 ( -0.000 4.098 -8.050) 9.033 10.834 ( 0.000 -3.100 -3.378) 4.585 10.955 ( 0.000 -5.656 -6.514) 8.627 11.211 ( 0.000 9.146 5.921) 10.895 11.427 ( 0.000 5.389 -4.316) 6.904 13.362 ( -0.000 -2.684 -0.756) 2.789 13.442 ( 0.000 -7.745 -5.584) 9.548 13.796 ( 0.000 0.885 10.772) 10.809 13.833 ( 0.000 -6.424 2.770) 6.996 14.040 ( 0.000 -4.500 -7.934) 9.121 14.341 ( -0.000 -7.646 -16.805) 18.463 15.005 ( 0.000 10.967 1.388) 11.055 15.176 ( 0.000 6.622 -6.875) 9.546 18.323 ( -0.000 -1.899 13.386) 13.520 18.558 ( 0.000 -10.194 3.289) 10.711 19.048 ( -5.052 6.021 -3.106) 8.451 19.048 ( 5.052 6.010 -3.098) 8.440 20.888 ( 0.000 1.931 31.609) 31.668 21.042 ( 0.000 -1.655 31.992) 32.035 22.081 ( 0.000 2.681 -29.201) 29.324 22.224 ( 0.000 -0.913 -28.498) 28.513 28.384 ( 0.000 -5.096 17.563) 18.287 28.440 ( -0.000 -6.147 18.500) 19.495 29.060 ( -0.000 -9.119 -13.748) 16.497 29.184 ( 0.000 -11.913 -16.003) 19.950 31.135 ( 0.000 -0.061 17.788) 17.789 31.226 ( -0.000 -0.448 18.272) 18.278 31.792 ( 0.000 0.826 -15.286) 15.308 31.854 ( 0.000 0.522 -13.432) 13.442 34.308 ( 0.000 -8.209 0.187) 8.211 34.340 ( 0.000 -9.188 -1.328) 9.283 36.456 ( -0.000 22.664 -1.409) 22.707 36.514 ( 0.000 20.233 -4.187) 20.661======================= Grid point 300 (106/126) =======================q-point: ( 0.00 0.45 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( 0.000 7.357 -1.109) 7.440 2.629 ( 0.000 3.834 -3.665) 5.304 3.118 ( 0.000 -1.584 9.920) 10.046 3.441 ( 0.000 4.906 -6.228) 7.928 3.869 ( 0.000 10.844 5.104) 11.985 4.098 ( 0.000 10.367 -6.441) 12.205 4.754 ( 0.000 9.041 4.381) 10.047 4.859 ( 0.000 -10.212 9.517) 13.959 4.888 ( 0.000 6.670 -1.054) 6.753 5.041 ( 0.000 -13.034 -1.506) 13.121 5.578 ( 0.000 5.572 19.971) 20.733 6.080 ( 0.000 -1.760 9.539) 9.700 6.210 ( 0.000 -7.035 1.161) 7.131 6.219 ( 0.000 0.278 -5.446) 5.453 7.374 ( 0.000 -1.587 11.720) 11.827 7.982 ( 0.000 0.730 14.501) 14.519 8.076 ( 0.000 -5.601 -17.656) 18.523 8.433 ( 0.000 -0.474 -3.407) 3.439 8.778 ( 0.000 -3.956 18.582) 18.998 9.621 ( 0.000 -0.434 -21.544) 21.548 10.205 ( 0.000 2.572 -0.996) 2.758 10.316 ( 0.000 -1.935 -7.397) 7.646 10.979 ( 0.000 1.075 -3.305) 3.475 11.076 ( 0.000 -3.192 -6.781) 7.495 11.168 ( 0.000 4.534 7.779) 9.004 11.357 ( 0.000 -0.245 -1.273) 1.296 13.190 ( 0.000 -0.494 3.973) 4.004 13.529 ( 0.000 0.737 -6.621) 6.662 13.772 ( 0.000 -4.632 -1.993) 5.043 13.878 ( 0.000 6.962 2.421) 7.371 14.000 ( 0.000 -4.657 -3.136) 5.615 14.098 ( 0.000 -6.397 -11.443) 13.110 15.139 ( 0.000 5.857 -0.406) 5.871 15.257 ( 0.000 0.996 -6.609) 6.684 18.245 ( 0.000 -3.378 12.950) 13.383 18.640 ( 0.000 -2.802 -7.352) 7.868 18.857 ( 0.000 3.135 12.499) 12.886 19.235 ( 0.000 2.669 -6.807) 7.312 20.956 ( 0.000 0.107 32.406) 32.406 20.982 ( 0.000 0.027 31.597) 31.597 22.144 ( 0.000 0.373 -28.595) 28.597 22.182 ( 0.000 0.312 -29.663) 29.664 28.318 ( 0.000 -5.710 17.767) 18.662 28.348 ( 0.000 0.413 19.092) 19.097 28.960 ( 0.000 -6.825 -15.677) 17.099 29.004 ( 0.000 0.395 -14.896) 14.901 31.118 ( 0.000 -0.849 18.835) 18.855 31.264 ( 0.000 1.712 17.697) 17.780 31.778 ( 0.000 -1.194 -14.954) 15.002 31.884 ( 0.000 1.903 -13.909) 14.038 34.138 ( 0.000 -3.345 2.238) 4.024 34.246 ( 0.000 -3.860 -3.334) 5.101 36.712 ( 0.000 7.678 1.383) 7.801 36.844 ( 0.000 7.310 -5.639) 9.233======================= Grid point 301 (107/126) =======================q-point: ( 0.25 0.45 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 264Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.501 ( -2.998 5.372 -0.264) 6.158 2.560 ( -4.077 0.823 -2.107) 4.662 3.285 ( 12.311 6.457 6.851) 15.498 3.502 ( 3.711 10.489 -3.464) 11.653 3.915 ( 4.051 12.457 4.705) 13.919 4.123 ( 1.551 19.053 -5.494) 19.890 4.594 ( -11.111 -7.203 9.887) 16.525 4.797 ( -5.681 4.238 0.051) 7.088 4.938 ( 1.016 -0.455 -0.467) 1.208 4.970 ( -0.123 -17.386 -1.565) 17.457 5.753 ( 7.521 -1.110 10.345) 12.838 5.857 ( -11.931 -5.811 1.551) 13.361 6.122 ( 3.310 -2.406 15.169) 15.712 6.468 ( 6.182 -0.670 6.125) 8.728 7.389 ( 2.848 -0.625 4.041) 4.983 7.807 ( -11.082 -4.989 -3.557) 12.663 8.191 ( 5.411 1.143 1.845) 5.831 8.386 ( -3.174 1.161 4.656) 5.753 8.896 ( 9.856 -1.521 8.079) 12.835 9.502 ( -10.127 -4.808 -16.571) 20.007 10.284 ( 5.893 4.572 -2.692) 7.930 10.352 ( 3.083 -0.818 -6.517) 7.256 10.855 ( -7.048 -0.953 -3.784) 8.056 10.958 ( -7.991 -1.719 -7.566) 11.138 11.307 ( 7.221 5.027 5.189) 10.215 11.422 ( 4.410 -0.352 0.419) 4.443 13.227 ( 3.505 -1.850 1.405) 4.205 13.445 ( -6.500 0.270 -7.186) 9.694 13.729 ( -2.186 -4.663 5.766) 7.731 13.823 ( -6.894 -2.614 0.460) 7.388 14.027 ( 5.459 4.182 -6.251) 9.293 14.180 ( 3.779 -5.545 -11.708) 13.494 15.163 ( 1.954 6.144 -0.851) 6.504 15.257 ( -0.119 1.004 -5.681) 5.771 18.263 ( 1.859 -2.486 11.600) 12.008 18.507 ( -8.587 -2.933 1.416) 9.184 18.988 ( 8.488 2.335 3.677) 9.541 19.213 ( -2.294 2.557 -5.443) 6.436 20.946 ( -0.606 1.959 32.106) 32.171 20.991 ( 0.587 -1.758 31.949) 32.003 22.141 ( -0.237 1.881 -29.024) 29.086 22.187 ( 0.382 -1.182 -29.279) 29.306 28.317 ( -0.098 -3.792 17.876) 18.274 28.343 ( -0.381 -1.315 18.838) 18.887 28.959 ( -0.082 -3.876 -15.267) 15.752 29.005 ( 0.075 -2.903 -15.239) 15.513 31.133 ( 1.477 -0.122 18.574) 18.633 31.240 ( -2.104 0.704 17.717) 17.856 31.799 ( 1.827 -0.117 -14.662) 14.776 31.876 ( -0.834 1.366 -13.917) 14.009 34.154 ( 1.550 -3.429 1.474) 4.041 34.231 ( -1.374 -3.869 -2.486) 4.800 36.729 ( 1.657 7.697 0.334) 7.880 36.824 ( -1.917 7.284 -4.664) 8.859======================= Grid point 302 (108/126) =======================q-point: (-0.50 0.45 0.42)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 198Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( 0.000 3.659 0.800) 3.745 2.514 ( -0.000 -0.412 -1.519) 1.574 3.470 ( -0.000 14.591 3.124) 14.922 3.509 ( 0.000 13.984 1.566) 14.071 3.976 ( -0.000 19.899 3.808) 20.260 4.129 ( -0.000 25.127 -2.563) 25.257 4.495 ( -0.000 -14.831 4.634) 15.538 4.665 ( 0.000 -2.119 -2.245) 3.087 4.975 ( -0.000 -3.832 0.452) 3.858 4.990 ( 0.000 -18.562 -0.197) 18.563 5.706 ( 0.000 -4.383 3.243) 5.452 5.804 ( 0.000 -15.979 -0.306) 15.982 6.249 ( -0.000 12.714 22.725) 26.040 6.471 ( 0.000 -7.706 15.618) 17.416 7.474 ( 0.000 4.554 -3.762) 5.907 7.638 ( -0.000 -10.608 -7.451) 12.964 8.250 ( 0.000 6.662 7.881) 10.320 8.347 ( 0.000 -0.925 7.929) 7.983 9.057 ( -0.000 9.400 -1.333) 9.494 9.336 ( 0.000 -16.463 -9.917) 19.219 10.361 ( 0.000 5.640 -2.797) 6.295 10.394 ( 0.000 1.981 -5.310) 5.667 10.791 ( 0.000 -0.441 -7.379) 7.392 10.841 ( -0.000 -5.083 -8.291) 9.725 11.384 ( 0.000 7.461 5.463) 9.247 11.474 ( -0.000 -1.125 1.243) 1.677 13.315 ( -0.000 -1.578 -3.673) 3.997 13.326 ( 0.000 -3.265 -4.593) 5.635 13.719 ( 0.000 -3.566 4.663) 5.870 13.723 ( -0.000 -3.810 6.412) 7.459 14.097 ( 0.000 6.015 -8.607) 10.501 14.215 ( -0.000 -5.823 -12.438) 13.733 15.190 ( 0.000 6.855 -1.450) 7.007 15.254 ( 0.000 0.603 -4.592) 4.632 18.308 ( -0.000 1.247 9.297) 9.380 18.387 ( 0.000 -6.660 5.656) 8.738 19.130 ( -0.000 2.717 -1.539) 3.123 19.139 ( 0.000 2.017 -2.205) 2.988 20.939 ( 0.000 2.998 32.000) 32.140 20.998 ( 0.000 -2.730 32.108) 32.224 22.138 ( 0.000 2.980 -29.328) 29.479 22.192 ( 0.000 -2.268 -29.021) 29.109 28.315 ( -0.000 -1.365 18.024) 18.076 28.338 ( 0.000 -3.550 18.546) 18.882 28.958 ( 0.000 -1.232 -14.897) 14.948 29.006 ( -0.000 -5.897 -15.545) 16.626 31.161 ( 0.000 2.176 18.031) 18.162 31.204 ( -0.000 -1.824 18.081) 18.173 31.829 ( -0.000 2.227 -14.528) 14.697 31.858 ( 0.000 -0.490 -13.829) 13.838 34.188 ( -0.000 -3.136 -0.200) 3.143 34.200 ( 0.000 -4.255 -0.728) 4.317 36.766 ( -0.000 8.364 -1.803) 8.556 36.783 ( 0.000 6.610 -2.602) 7.104======================= Grid point 330 (109/126) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.673 ( 0.000 0.000 -1.381) 1.381 1.673 ( 0.000 0.000 1.382) 1.382 2.289 ( 0.000 0.000 -3.391) 3.391 2.289 ( 0.000 0.000 3.391) 3.391 2.485 ( 0.000 0.000 -19.183) 19.183 2.485 ( 0.000 0.000 19.183) 19.183 2.543 ( 0.000 0.000 -0.617) 0.617 2.543 ( 0.000 0.000 0.617) 0.617 6.437 ( 0.000 0.000 -25.757) 25.757 6.437 ( 0.000 0.000 25.758) 25.758 6.591 ( 0.000 0.000 -5.613) 5.613 6.591 ( 0.000 0.000 5.613) 5.613 7.561 ( 0.000 0.000 -12.569) 12.569 7.561 ( 0.000 0.000 12.569) 12.569 7.792 ( 0.000 0.000 -3.596) 3.596 7.792 ( 0.000 0.000 3.596) 3.596 7.859 ( 0.000 0.000 -0.242) 0.242 7.859 ( 0.000 0.000 0.242) 0.242 9.726 ( 0.000 0.000 -10.467) 10.467 9.726 ( 0.000 0.000 10.467) 10.467 10.123 ( 0.000 0.000 -16.539) 16.539 10.123 ( 0.000 0.000 16.539) 16.539 10.772 ( 0.000 0.000 -8.825) 8.825 10.772 ( 0.000 0.000 8.825) 8.825 11.199 ( 0.000 0.000 -7.005) 7.005 11.199 ( 0.000 0.000 7.005) 7.005 13.453 ( 0.000 0.000 -0.203) 0.203 13.453 ( 0.000 0.000 0.203) 0.203 13.554 ( 0.000 0.000 -12.474) 12.474 13.554 ( 0.000 0.000 12.474) 12.474 14.481 ( 0.000 0.000 -7.475) 7.475 14.481 ( 0.000 0.000 7.475) 7.475 15.147 ( 0.000 0.000 -3.080) 3.080 15.147 ( 0.000 0.000 3.080) 3.080 18.213 ( 0.000 0.000 -9.187) 9.187 18.213 ( 0.000 0.000 9.187) 9.187 19.122 ( 0.000 0.000 -8.285) 8.285 19.122 ( 0.000 0.000 8.285) 8.285 21.529 ( 0.000 0.000 -27.937) 27.937 21.529 ( 0.000 0.000 27.937) 27.937 21.630 ( 0.000 0.000 -25.275) 25.275 21.630 ( 0.000 0.000 25.275) 25.275 28.578 ( 0.000 0.000 -15.672) 15.672 28.578 ( 0.000 0.000 15.672) 15.672 30.272 ( 0.000 0.000 -8.102) 8.102 30.272 ( 0.000 0.000 8.102) 8.102 31.429 ( 0.000 0.000 -19.030) 19.030 31.429 ( 0.000 0.000 19.030) 19.030 32.219 ( 0.000 0.000 -5.140) 5.140 32.219 ( 0.000 0.000 5.140) 5.140 34.191 ( 0.000 0.000 -0.366) 0.366 34.191 ( 0.000 0.000 0.366) 0.366 34.799 ( 0.000 0.000 -0.920) 0.920 34.799 ( 0.000 0.000 0.920) 0.920======================= Grid point 332 (110/126) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( -35.267 0.000 -7.383) 36.031 1.175 ( -35.266 0.000 7.383) 36.031 2.257 ( -1.968 0.000 -0.962) 2.191 2.257 ( -1.968 0.000 0.962) 2.191 2.319 ( -0.853 0.000 -3.898) 3.991 2.319 ( -0.853 0.000 3.898) 3.991 3.227 ( 36.456 0.000 -14.758) 39.330 3.227 ( 36.456 0.000 14.758) 39.330 5.946 ( -29.197 0.000 -16.871) 33.721 5.946 ( -29.197 0.000 16.871) 33.721 6.850 ( 9.947 0.000 -7.688) 12.572 6.850 ( 9.947 0.000 7.689) 12.572 7.504 ( -9.724 0.000 -5.768) 11.306 7.504 ( -9.723 0.000 5.768) 11.306 7.591 ( 0.563 0.000 -15.862) 15.872 7.591 ( 0.563 0.000 15.862) 15.872 8.282 ( 22.281 0.000 -5.003) 22.835 8.282 ( 22.281 0.000 5.003) 22.835 9.636 ( -7.675 0.000 -4.147) 8.723 9.636 ( -7.675 0.000 4.147) 8.723 10.145 ( 1.574 0.000 -9.210) 9.343 10.145 ( 1.574 0.000 9.210) 9.343 10.770 ( -0.354 0.000 -7.057) 7.066 10.770 ( -0.354 0.000 7.057) 7.066 11.156 ( -3.109 0.000 -5.412) 6.242 11.156 ( -3.109 0.000 5.412) 6.242 13.269 ( -7.903 0.000 -2.625) 8.328 13.269 ( -7.903 0.000 2.625) 8.328 13.820 ( 15.322 0.000 -8.043) 17.305 13.820 ( 15.322 0.000 8.043) 17.305 14.417 ( -6.020 0.000 -7.119) 9.323 14.417 ( -6.020 0.000 7.119) 9.323 15.161 ( 1.105 0.000 -2.177) 2.441 15.161 ( 1.105 0.000 2.177) 2.441 18.199 ( -1.108 0.000 -6.351) 6.447 18.199 ( -1.108 0.000 6.351) 6.447 19.131 ( 0.658 0.000 -5.711) 5.748 19.131 ( 0.658 0.000 5.711) 5.748 21.510 ( -1.300 0.000 -15.152) 15.208 21.510 ( -1.300 0.000 15.153) 15.208 21.646 ( 1.081 0.000 -13.279) 13.323 21.646 ( 1.081 0.000 13.279) 13.323 28.683 ( 8.976 0.000 -13.245) 16.000 28.683 ( 8.976 0.000 13.245) 16.000 30.097 ( -13.857 0.000 -9.114) 16.586 30.097 ( -13.857 0.000 9.114) 16.586 31.514 ( 6.138 0.000 -12.646) 14.057 31.514 ( 6.138 0.000 12.646) 14.057 32.206 ( -1.078 0.000 -4.048) 4.189 32.206 ( -1.078 0.000 4.048) 4.189 34.196 ( 0.419 0.000 -0.261) 0.494 34.196 ( 0.419 0.000 0.261) 0.494 34.795 ( -0.324 0.000 -0.660) 0.735 34.795 ( -0.324 0.000 0.660) 0.735======================= Grid point 334 (111/126) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( -0.000 0.000 0.000) 0.001 0.701 ( 0.000 0.000 0.000) 0.001 2.239 ( -0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 3.676 ( -0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 5.570 ( -0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 6.952 ( -0.000 0.000 0.000) 0.000 6.952 ( 0.000 0.000 0.000) 0.000 7.394 ( -0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 0.000) 0.000 7.606 ( -0.000 0.000 -0.000) 0.000 7.606 ( 0.000 0.000 -0.000) 0.000 8.555 ( -0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 10.164 ( -0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.762 ( 0.000 0.000 0.000) 0.000 10.762 ( 0.000 0.000 0.000) 0.000 11.120 ( -0.000 0.000 0.000) 0.000 11.120 ( 0.000 0.000 0.000) 0.000 13.187 ( -0.000 0.000 0.000) 0.000 13.187 ( 0.000 0.000 0.000) 0.000 14.030 ( 0.000 0.000 0.000) 0.000 14.030 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 15.175 ( 0.000 0.000 0.000) 0.000 15.175 ( 0.000 0.000 0.000) 0.000 18.184 ( 0.000 0.000 0.000) 0.000 18.184 ( 0.000 0.000 0.000) 0.000 19.139 ( 0.000 0.000 0.000) 0.000 19.139 ( 0.000 0.000 0.000) 0.000 21.494 ( 0.000 0.000 0.000) 0.000 21.494 ( 0.000 0.000 0.000) 0.000 21.659 ( -0.000 0.000 -0.000) 0.000 21.659 ( 0.000 0.000 -0.000) 0.000 28.812 ( -0.000 0.000 0.000) 0.000 28.812 ( 0.000 0.000 0.000) 0.000 29.910 ( -0.000 0.000 0.000) 0.000 29.910 ( 0.000 0.000 0.000) 0.000 31.588 ( -0.000 0.000 0.000) 0.000 31.588 ( 0.000 0.000 0.000) 0.000 32.191 ( 0.000 0.000 0.000) 0.000 32.191 ( 0.000 0.000 0.000) 0.000 34.202 ( 0.000 0.000 0.000) 0.000 34.202 ( 0.000 0.000 0.000) 0.000 34.791 ( -0.000 0.000 0.000) 0.000 34.791 ( 0.000 0.000 0.000) 0.000======================= Grid point 340 (112/126) =======================q-point: ( 0.00 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 117Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 0.000 3.736 -6.465) 7.467 1.706 ( 0.000 3.736 6.465) 7.467 2.473 ( 0.000 13.836 -13.798) 19.540 2.473 ( 0.000 13.836 13.798) 19.540 2.657 ( 0.000 11.074 -4.244) 11.859 2.657 ( 0.000 11.074 4.244) 11.859 2.671 ( 0.000 21.175 -11.404) 24.051 2.671 ( 0.000 21.175 11.404) 24.051 6.306 ( 0.000 -11.809 -24.660) 27.342 6.306 ( 0.000 -11.809 24.660) 27.342 6.455 ( 0.000 -13.135 -5.449) 14.220 6.455 ( 0.000 -13.135 5.449) 14.220 7.367 ( 0.000 -14.258 -12.251) 18.799 7.367 ( 0.000 -14.258 12.251) 18.799 7.929 ( 0.000 5.797 -5.713) 8.139 7.929 ( 0.000 5.797 5.713) 8.139 7.947 ( 0.000 9.975 -15.984) 18.841 7.947 ( 0.000 9.975 15.984) 18.841 9.682 ( 0.000 -4.384 -9.244) 10.231 9.682 ( 0.000 -4.384 9.244) 10.231 10.118 ( 0.000 -0.339 -15.866) 15.869 10.118 ( 0.000 -0.339 15.866) 15.869 10.804 ( 0.000 3.286 -9.743) 10.282 10.804 ( 0.000 3.286 9.743) 10.282 11.195 ( 0.000 -0.534 -6.992) 7.012 11.195 ( 0.000 -0.534 6.992) 7.012 13.438 ( 0.000 -1.416 -1.626) 2.157 13.438 ( 0.000 -1.416 1.626) 2.157 13.573 ( 0.000 2.153 -13.018) 13.195 13.573 ( 0.000 2.153 13.018) 13.195 14.545 ( 0.000 6.130 -7.312) 9.541 14.545 ( 0.000 6.130 7.312) 9.541 15.040 ( 0.000 -10.376 -4.921) 11.484 15.040 ( 0.000 -10.376 4.921) 11.484 18.300 ( 0.000 8.337 -9.830) 12.889 18.300 ( 0.000 8.337 9.830) 12.889 19.070 ( 0.000 -5.099 -8.418) 9.841 19.070 ( 0.000 -5.099 8.418) 9.841 21.530 ( 0.000 0.192 -28.334) 28.335 21.530 ( 0.000 0.192 28.334) 28.335 21.621 ( 0.000 -0.847 -26.300) 26.313 21.621 ( 0.000 -0.847 26.300) 26.313 28.588 ( 0.000 0.995 -15.890) 15.921 28.588 ( 0.000 0.995 15.890) 15.921 30.136 ( 0.000 -13.407 -11.420) 17.612 30.136 ( 0.000 -13.407 11.420) 17.612 31.425 ( 0.000 -0.180 -18.520) 18.520 31.425 ( 0.000 -0.180 18.520) 18.520 32.046 ( 0.000 -14.039 -8.503) 16.414 32.046 ( 0.000 -14.039 8.503) 16.414 34.524 ( 0.000 29.735 -4.467) 30.069 34.524 ( 0.000 29.735 4.467) 30.069 34.765 ( 0.000 -3.487 -1.651) 3.858 34.765 ( 0.000 -3.487 1.651) 3.858======================= Grid point 342 (113/126) =======================q-point: ( 0.25 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( -29.059 12.639 -6.949) 32.442 1.307 ( -29.059 12.639 6.950) 32.442 2.333 ( -4.116 7.512 -7.590) 11.444 2.333 ( -4.116 7.512 7.590) 11.444 2.585 ( -0.011 25.015 -2.292) 25.120 2.585 ( -0.011 25.015 2.292) 25.120 3.250 ( 30.072 2.253 -12.377) 32.597 3.250 ( 30.072 2.253 12.377) 32.597 5.898 ( -22.584 -3.927 -15.203) 27.506 5.898 ( -22.583 -3.927 15.203) 27.506 6.719 ( 10.531 -12.744 -8.022) 18.376 6.719 ( 10.531 -12.744 8.022) 18.376 7.375 ( -0.494 -11.309 -14.087) 18.072 7.375 ( -0.494 -11.309 14.087) 18.072 7.689 ( -7.123 7.968 -10.964) 15.311 7.689 ( -7.123 7.968 10.964) 15.311 8.278 ( 15.813 -0.931 -3.982) 16.333 8.278 ( 15.813 -0.931 3.982) 16.333 9.614 ( -5.756 -2.319 -6.368) 8.892 9.614 ( -5.756 -2.319 6.368) 8.892 10.129 ( 0.785 -1.390 -9.591) 9.723 10.129 ( 0.785 -1.390 9.591) 9.723 10.809 ( 0.233 3.879 -8.162) 9.040 10.809 ( 0.233 3.879 8.162) 9.040 11.149 ( -3.455 -0.867 -5.440) 6.503 11.149 ( -3.455 -0.867 5.440) 6.503 13.307 ( -6.000 3.663 -2.710) 7.534 13.307 ( -6.000 3.663 2.710) 7.534 13.790 ( 13.409 -2.555 -8.363) 16.008 13.790 ( 13.409 -2.555 8.363) 16.008 14.481 ( -5.745 5.858 -7.135) 10.874 14.481 ( -5.745 5.858 7.136) 10.874 15.055 ( 1.174 -10.088 -4.381) 11.061 15.055 ( 1.174 -10.088 4.382) 11.061 18.287 ( -1.031 8.377 -7.746) 11.456 18.287 ( -1.031 8.377 7.746) 11.456 19.081 ( 0.858 -4.844 -5.755) 7.571 19.081 ( 0.858 -4.844 5.755) 7.571 21.497 ( -2.134 -1.077 -18.267) 18.422 21.497 ( -2.134 -1.077 18.267) 18.422 21.651 ( 1.846 0.354 -17.361) 17.462 21.651 ( 1.846 0.354 17.361) 17.462 28.684 ( 8.201 0.093 -13.387) 15.700 28.684 ( 8.201 0.093 13.387) 15.700 29.985 ( -12.153 -11.143 -10.937) 19.786 29.985 ( -12.153 -11.143 10.937) 19.786 31.499 ( 5.472 -1.279 -13.528) 14.649 31.499 ( 5.472 -1.279 13.528) 14.649 32.030 ( -1.342 -14.359 -6.858) 15.969 32.030 ( -1.342 -14.359 6.858) 15.969 34.527 ( 0.193 29.527 -4.366) 29.849 34.527 ( 0.193 29.527 4.366) 29.849 34.763 ( -0.158 -3.295 -1.319) 3.553 34.763 ( -0.158 -3.295 1.319) 3.553======================= Grid point 344 (114/126) =======================q-point: (-0.50 0.09 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.932 ( 0.000 20.758 -4.458) 21.231 0.932 ( 0.000 20.758 4.459) 21.232 2.297 ( 0.000 6.007 -6.894) 9.144 2.297 ( 0.000 6.007 6.894) 9.144 2.586 ( 0.000 25.249 -0.509) 25.254 2.586 ( 0.000 25.249 0.509) 25.254 3.606 ( 0.000 -6.477 -2.002) 6.779 3.606 ( 0.000 -6.477 2.002) 6.779 5.624 ( -0.000 5.291 -6.945) 8.731 5.624 ( -0.000 5.291 6.946) 8.731 6.825 ( 0.000 -12.311 -3.791) 12.882 6.825 ( 0.000 -12.311 3.791) 12.882 7.350 ( 0.000 -6.370 -18.066) 19.156 7.350 ( -0.000 -6.370 18.066) 19.156 7.638 ( 0.000 4.485 -12.645) 13.417 7.638 ( 0.000 4.485 12.645) 13.417 8.466 ( 0.000 -8.380 -4.701) 9.609 8.466 ( 0.000 -8.380 4.701) 9.609 9.532 ( 0.000 0.586 -8.371) 8.391 9.532 ( 0.000 0.586 8.371) 8.391 10.138 ( 0.000 -2.229 -2.169) 3.111 10.138 ( 0.000 -2.229 2.169) 3.111 10.809 ( 0.000 4.698 -4.441) 6.465 10.809 ( 0.000 4.698 4.441) 6.465 11.107 ( 0.000 -1.389 -0.997) 1.710 11.107 ( 0.000 -1.389 0.997) 1.710 13.246 ( 0.000 5.598 -1.577) 5.816 13.246 ( 0.000 5.598 1.577) 5.816 13.965 ( 0.000 -5.132 -2.098) 5.544 13.965 ( 0.000 -5.132 2.098) 5.544 14.389 ( 0.000 6.670 -5.277) 8.505 14.389 ( 0.000 6.670 5.277) 8.505 15.070 ( 0.000 -9.892 -3.782) 10.590 15.070 ( 0.000 -9.892 3.782) 10.590 18.274 ( 0.000 8.430 -5.306) 9.961 18.274 ( 0.000 8.430 5.306) 9.961 19.092 ( 0.000 -4.599 -0.154) 4.602 19.092 ( 0.000 -4.599 0.154) 4.602 21.472 ( 0.000 -1.748 -15.138) 15.238 21.472 ( 0.000 -1.748 15.138) 15.238 21.672 ( 0.000 0.956 -15.155) 15.185 21.672 ( 0.000 0.956 15.155) 15.185 28.802 ( 0.000 -1.054 -0.985) 1.442 28.802 ( -0.000 -1.054 0.985) 1.442 29.820 ( 0.000 -9.026 -1.500) 9.150 29.820 ( 0.000 -9.026 1.500) 9.150 31.567 ( 0.000 -1.823 -4.257) 4.631 31.567 ( 0.000 -1.823 4.257) 4.631 32.011 ( 0.000 -14.842 -1.230) 14.893 32.011 ( 0.000 -14.842 1.230) 14.893 34.529 ( 0.000 29.317 -4.254) 29.624 34.529 ( 0.000 29.317 4.254) 29.624 34.761 ( 0.000 -3.102 -0.820) 3.208 34.761 ( 0.000 -3.102 0.820) 3.208======================= Grid point 350 (115/126) =======================q-point: ( 0.00 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 117Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.835 ( 0.000 9.441 -8.944) 13.005 1.835 ( 0.000 9.441 8.945) 13.006 2.757 ( 0.000 15.115 -15.268) 21.484 2.757 ( 0.000 15.115 15.268) 21.484 2.951 ( 0.000 17.775 -5.144) 18.504 2.951 ( 0.000 17.775 5.144) 18.504 3.266 ( 0.000 35.188 -5.284) 35.583 3.266 ( 0.000 35.188 5.284) 35.583 6.043 ( 0.000 -13.067 -22.959) 26.417 6.043 ( 0.000 -13.067 22.960) 26.417 6.114 ( 0.000 -20.148 -4.074) 20.556 6.114 ( 0.000 -20.148 4.074) 20.556 7.051 ( 0.000 -17.401 -10.137) 20.139 7.051 ( 0.000 -17.401 10.137) 20.139 8.029 ( 0.000 3.067 -12.605) 12.973 8.029 ( 0.000 3.067 12.605) 12.973 8.118 ( 0.000 6.961 -17.108) 18.470 8.118 ( 0.000 6.961 17.108) 18.470 9.559 ( 0.000 -7.766 -9.488) 12.262 9.559 ( 0.000 -7.766 9.488) 12.262 10.120 ( 0.000 0.668 -13.816) 13.833 10.120 ( 0.000 0.668 13.816) 13.833 10.902 ( 0.000 6.512 -10.998) 12.782 10.902 ( 0.000 6.512 10.998) 12.782 11.171 ( 0.000 -2.133 -7.059) 7.374 11.171 ( 0.000 -2.133 7.059) 7.374 13.400 ( 0.000 -2.296 -3.495) 4.181 13.400 ( 0.000 -2.296 3.495) 4.182 13.645 ( 0.000 5.028 -13.596) 14.496 13.645 ( 0.000 5.028 13.596) 14.496 14.700 ( 0.000 8.970 -7.161) 11.478 14.700 ( 0.000 8.970 7.161) 11.478 14.766 ( 0.000 -16.434 -7.258) 17.965 14.766 ( 0.000 -16.434 7.258) 17.965 18.513 ( 0.000 12.358 -10.645) 16.311 18.513 ( 0.000 12.358 10.645) 16.311 18.932 ( 0.000 -8.473 -8.766) 12.192 18.932 ( 0.000 -8.473 8.766) 12.192 21.537 ( 0.000 0.439 -29.252) 29.256 21.537 ( 0.000 0.439 29.252) 29.256 21.602 ( 0.000 -0.925 -28.393) 28.408 21.602 ( 0.000 -0.925 28.393) 28.408 28.614 ( 0.000 1.626 -16.386) 16.467 28.614 ( 0.000 1.626 16.386) 16.467 29.770 ( 0.000 -22.438 -16.570) 27.893 29.770 ( 0.000 -22.438 16.570) 27.893 31.430 ( 0.000 0.907 -17.420) 17.443 31.430 ( 0.000 0.907 17.420) 17.443 31.780 ( 0.000 -11.508 -14.230) 18.301 31.780 ( 0.000 -11.508 14.230) 18.301 34.661 ( 0.000 -6.980 -2.705) 7.485 34.661 ( 0.000 -6.980 2.705) 7.485 35.213 ( 0.000 37.085 -5.056) 37.428 35.213 ( 0.000 37.085 5.056) 37.428======================= Grid point 352 (116/126) =======================q-point: ( 0.25 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( -15.767 19.139 -6.594) 25.659 1.632 ( -15.767 19.139 6.594) 25.659 2.564 ( -8.052 15.876 -12.533) 21.771 2.564 ( -8.052 15.876 12.533) 21.771 3.147 ( 5.451 21.513 -2.333) 22.315 3.147 ( 5.451 21.513 2.333) 22.315 3.357 ( 9.291 16.081 -5.836) 19.468 3.357 ( 9.291 16.081 5.836) 19.468 5.835 ( -7.345 -1.653 -12.798) 14.849 5.835 ( -7.345 -1.653 12.799) 14.849 6.376 ( 11.504 -20.881 -8.977) 25.474 6.376 ( 11.504 -20.881 8.977) 25.474 7.083 ( 2.624 -17.727 -12.766) 22.002 7.083 ( 2.624 -17.727 12.766) 22.002 7.865 ( -8.215 8.937 -3.371) 12.599 7.865 ( -8.215 8.937 3.371) 12.599 8.223 ( 3.662 -4.890 -2.342) 6.543 8.223 ( 3.662 -4.890 2.342) 6.543 9.543 ( -1.289 -4.879 -11.806) 12.839 9.543 ( -1.289 -4.879 11.806) 12.839 10.109 ( -0.767 -0.161 -9.737) 9.768 10.109 ( -0.767 -0.161 9.737) 9.768 10.919 ( 1.442 6.864 -9.885) 12.120 10.919 ( 1.442 6.864 9.885) 12.120 11.118 ( -4.184 -2.187 -5.666) 7.375 11.118 ( -4.184 -2.187 5.666) 7.375 13.389 ( -0.789 3.455 -2.201) 4.172 13.389 ( -0.789 3.455 2.201) 4.172 13.750 ( 8.526 -0.532 -10.419) 13.473 13.750 ( 8.526 -0.532 10.419) 13.474 14.589 ( -7.262 0.808 -7.013) 10.127 14.589 ( -7.262 0.808 7.013) 10.127 14.827 ( 2.869 -8.303 -6.947) 11.199 14.827 ( 2.869 -8.303 6.947) 11.199 18.496 ( -1.298 11.665 -10.079) 15.471 18.496 ( -1.298 11.665 10.079) 15.471 18.952 ( 1.514 -7.635 -5.797) 9.705 18.952 ( 1.514 -7.635 5.797) 9.705 21.479 ( -3.134 -0.427 -22.594) 22.814 21.479 ( -3.134 -0.427 22.594) 22.814 21.655 ( 2.792 -0.040 -22.363) 22.537 21.655 ( 2.792 -0.040 22.363) 22.537 28.685 ( 5.954 -0.067 -13.632) 14.875 28.685 ( 5.954 -0.067 13.632) 14.875 29.675 ( -7.850 -19.327 -14.019) 25.134 29.675 ( -7.850 -19.327 14.019) 25.134 31.478 ( 3.867 -0.543 -14.631) 15.143 31.478 ( 3.867 -0.543 14.631) 15.143 31.757 ( -1.981 -11.627 -12.384) 17.102 31.757 ( -1.981 -11.627 12.384) 17.102 34.662 ( 0.123 -6.823 -2.148) 7.154 34.662 ( 0.123 -6.823 2.148) 7.154 35.213 ( -0.036 36.987 -4.791) 37.296 35.213 ( -0.036 36.987 4.791) 37.296======================= Grid point 354 (117/126) =======================q-point: (-0.50 0.18 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.430 ( 0.000 27.967 -4.696) 28.359 1.430 ( 0.000 27.967 4.697) 28.359 2.485 ( 0.000 13.143 -12.089) 17.857 2.485 ( 0.000 13.143 12.089) 17.857 3.184 ( -0.000 28.898 -0.486) 28.902 3.184 ( 0.000 28.898 0.486) 28.902 3.477 ( 0.000 -1.723 -4.264) 4.599 3.477 ( 0.000 -1.723 4.264) 4.599 5.769 ( -0.000 8.829 -12.083) 14.965 5.769 ( 0.000 8.829 12.083) 14.965 6.494 ( 0.000 -20.174 -5.907) 21.021 6.494 ( 0.000 -20.174 5.907) 21.021 7.117 ( 0.000 -16.847 -17.308) 24.154 7.117 ( 0.000 -16.847 17.308) 24.154 7.781 ( 0.000 9.191 -7.649) 11.957 7.781 ( 0.000 9.191 7.649) 11.957 8.251 ( 0.000 -12.736 -8.893) 15.533 8.251 ( -0.000 -12.736 8.893) 15.533 9.526 ( 0.000 -1.649 -14.960) 15.050 9.526 ( 0.000 -1.649 14.960) 15.050 10.100 ( 0.000 -1.008 -3.777) 3.909 10.100 ( 0.000 -1.008 3.777) 3.909 10.941 ( 0.000 8.215 -7.891) 11.391 10.941 ( 0.000 8.215 7.891) 11.391 11.061 ( 0.000 -3.233 -1.559) 3.589 11.061 ( 0.000 -3.233 1.559) 3.589 13.380 ( 0.000 6.699 -0.278) 6.705 13.380 ( 0.000 6.699 0.278) 6.705 13.868 ( 0.000 -3.876 -1.160) 4.046 13.868 ( 0.000 -3.876 1.160) 4.046 14.493 ( 0.000 0.352 -5.692) 5.703 14.493 ( 0.000 0.352 5.692) 5.703 14.857 ( 0.000 -7.600 -6.636) 10.089 14.857 ( 0.000 -7.600 6.636) 10.089 18.480 ( 0.000 11.133 -9.877) 14.883 18.480 ( 0.000 11.133 9.877) 14.883 18.971 ( 0.000 -6.958 -1.471) 7.111 18.971 ( 0.000 -6.958 1.471) 7.111 21.445 ( 0.000 -0.696 -22.094) 22.105 21.445 ( 0.000 -0.696 22.094) 22.105 21.685 ( 0.000 0.246 -22.035) 22.036 21.685 ( 0.000 0.246 22.035) 22.036 28.770 ( 0.000 -2.229 -2.011) 3.002 28.770 ( -0.000 -2.229 2.011) 3.002 29.566 ( 0.000 -15.947 -3.777) 16.388 29.566 ( 0.000 -15.947 3.777) 16.388 31.532 ( 0.000 -1.456 -3.750) 4.023 31.532 ( 0.000 -1.456 3.750) 4.023 31.727 ( -0.000 -12.081 -2.125) 12.267 31.727 ( -0.000 -12.081 2.125) 12.267 34.664 ( 0.000 -6.666 -1.391) 6.809 34.664 ( 0.000 -6.666 1.391) 6.809 35.212 ( 0.000 36.888 -4.509) 37.163 35.212 ( 0.000 36.888 4.509) 37.163======================= Grid point 360 (118/126) =======================q-point: ( 0.00 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 117Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.074 ( 0.000 14.244 -8.004) 16.338 2.074 ( 0.000 14.244 8.004) 16.339 3.043 ( 0.000 12.754 -8.615) 15.391 3.043 ( 0.000 12.754 8.615) 15.391 3.327 ( 0.000 19.431 -4.516) 19.949 3.327 ( 0.000 19.431 4.516) 19.949 3.960 ( 0.000 33.154 -4.850) 33.506 3.960 ( 0.000 33.154 4.850) 33.506 5.698 ( 0.000 -21.062 -3.063) 21.284 5.698 ( 0.000 -21.062 3.063) 21.284 5.849 ( 0.000 -5.340 -21.331) 21.989 5.849 ( 0.000 -5.340 21.331) 21.989 6.694 ( 0.000 -18.029 -9.020) 20.160 6.694 ( 0.000 -18.029 9.021) 20.160 8.020 ( 0.000 -4.207 -18.565) 19.036 8.020 ( 0.000 -4.207 18.565) 19.036 8.220 ( 0.000 3.396 -15.847) 16.207 8.220 ( 0.000 3.396 15.847) 16.207 9.396 ( 0.000 -8.100 -14.210) 16.356 9.396 ( 0.000 -8.100 14.210) 16.356 10.146 ( 0.000 1.928 -10.502) 10.678 10.146 ( 0.000 1.928 10.502) 10.678 11.050 ( 0.000 8.028 -10.659) 13.344 11.050 ( 0.000 8.028 10.659) 13.344 11.111 ( 0.000 -3.779 -6.811) 7.789 11.111 ( 0.000 -3.779 6.811) 7.789 13.355 ( 0.000 -2.120 -5.706) 6.087 13.355 ( 0.000 -2.120 5.706) 6.087 13.761 ( 0.000 6.247 -12.535) 14.006 13.761 ( 0.000 6.247 12.535) 14.006 14.422 ( 0.000 -17.564 -8.836) 19.661 14.422 ( 0.000 -17.564 8.836) 19.661 14.883 ( 0.000 9.229 -7.059) 11.619 14.883 ( 0.000 9.229 7.059) 11.619 18.751 ( 0.000 -9.393 -9.274) 13.199 18.751 ( 0.000 -9.393 9.274) 13.199 18.759 ( 0.000 11.838 -10.729) 15.976 18.759 ( 0.000 11.838 10.729) 15.976 21.548 ( 0.000 0.644 -30.172) 30.179 21.548 ( 0.000 0.644 30.172) 30.179 21.589 ( 0.000 -0.342 -30.129) 30.131 21.589 ( 0.000 -0.342 30.129) 30.131 28.648 ( 0.000 1.709 -16.836) 16.922 28.648 ( 0.000 1.709 16.836) 16.922 29.302 ( 0.000 -23.492 -18.292) 29.774 29.302 ( 0.000 -23.492 18.292) 29.774 31.467 ( 0.000 2.826 -16.516) 16.756 31.467 ( 0.000 2.826 16.516) 16.756 31.602 ( 0.000 -6.614 -17.089) 18.324 31.602 ( 0.000 -6.614 17.089) 18.324 34.496 ( 0.000 -9.318 -3.264) 9.873 34.496 ( 0.000 -9.318 3.264) 9.873 35.916 ( 0.000 32.592 -4.396) 32.887 35.916 ( 0.000 32.592 4.396) 32.887======================= Grid point 362 (119/126) =======================q-point: ( 0.25 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( -3.440 19.873 -6.397) 21.158 2.027 ( -3.440 19.873 6.397) 21.158 2.930 ( -9.350 18.928 -12.407) 24.487 2.930 ( -9.350 18.928 12.407) 24.487 3.309 ( -0.763 6.845 -5.231) 8.649 3.309 ( -0.763 6.845 5.231) 8.649 3.953 ( -0.675 32.500 -2.927) 32.639 3.953 ( -0.675 32.500 2.927) 32.639 5.769 ( 5.996 -13.474 -3.601) 15.181 5.769 ( 5.996 -13.474 3.601) 15.181 6.010 ( 12.148 -7.008 -12.502) 18.788 6.010 ( 12.148 -7.008 12.502) 18.788 6.697 ( 0.265 -20.444 -11.093) 23.261 6.697 ( 0.265 -20.444 11.093) 23.261 7.975 ( -3.057 -2.611 -15.946) 16.445 7.975 ( -3.057 -2.611 15.946) 16.445 8.132 ( -7.726 0.497 -9.534) 12.281 8.132 ( -7.726 0.497 9.534) 12.282 9.425 ( 2.299 -6.860 -16.662) 18.165 9.425 ( 2.299 -6.860 16.662) 18.165 10.133 ( -1.069 2.600 -8.055) 8.531 10.133 ( -1.069 2.600 8.055) 8.531 11.004 ( -3.159 -1.906 -4.231) 5.613 11.004 ( -3.159 -1.906 4.231) 5.613 11.126 ( 0.804 6.366 -2.991) 7.079 11.126 ( 0.804 6.366 2.991) 7.079 13.404 ( 3.564 -1.930 -3.320) 5.239 13.404 ( 3.564 -1.930 3.320) 5.239 13.797 ( 3.436 4.801 -10.792) 12.301 13.797 ( 3.436 4.801 10.792) 12.301 14.373 ( -4.302 -16.335 -8.366) 18.850 14.373 ( -4.302 -16.335 8.366) 18.850 14.887 ( 0.284 8.535 -6.721) 10.867 14.887 ( 0.284 8.535 6.721) 10.867 18.663 ( -3.536 0.231 -12.569) 13.059 18.663 ( -3.536 0.231 12.569) 13.059 18.850 ( 3.752 2.089 -6.711) 7.968 18.850 ( 3.752 2.089 6.711) 7.968 21.485 ( -3.129 0.978 -26.432) 26.634 21.485 ( -3.129 0.978 26.432) 26.635 21.649 ( 2.902 -0.560 -26.281) 26.446 21.649 ( 2.902 -0.560 26.281) 26.446 28.680 ( 2.615 -0.438 -13.497) 13.755 28.680 ( 2.615 -0.438 13.497) 13.755 29.265 ( -3.033 -20.791 -14.850) 25.729 29.265 ( -3.033 -20.791 14.850) 25.729 31.482 ( 1.321 0.805 -15.909) 15.984 31.482 ( 1.321 0.805 15.909) 15.984 31.590 ( -1.082 -5.196 -16.216) 17.063 31.590 ( -1.082 -5.196 16.216) 17.063 34.499 ( 0.258 -9.301 -2.484) 9.630 34.499 ( 0.258 -9.301 2.484) 9.630 35.914 ( -0.124 32.564 -3.770) 32.782 35.914 ( -0.124 32.564 3.770) 32.782======================= Grid point 364 (120/126) =======================q-point: (-0.50 0.27 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.987 ( 0.000 26.657 -2.640) 26.787 1.987 ( -0.000 26.657 2.640) 26.787 2.806 ( 0.000 18.394 -14.525) 23.438 2.806 ( 0.000 18.394 14.525) 23.438 3.303 ( 0.000 0.738 -7.329) 7.366 3.303 ( 0.000 0.738 7.329) 7.366 3.943 ( 0.000 31.994 -0.026) 31.994 3.943 ( 0.000 31.994 0.026) 31.994 5.849 ( 0.000 -11.294 -4.549) 12.176 5.849 ( 0.000 -11.294 4.549) 12.176 6.165 ( 0.000 -2.255 -2.636) 3.469 6.165 ( 0.000 -2.255 2.636) 3.469 6.701 ( 0.000 -24.586 -14.272) 28.428 6.701 ( 0.000 -24.586 14.272) 28.428 7.961 ( 0.000 -3.160 -1.510) 3.503 7.961 ( -0.000 -3.161 1.510) 3.503 8.002 ( 0.000 -0.177 -10.452) 10.454 8.002 ( 0.000 -0.176 10.452) 10.454 9.455 ( 0.000 -5.742 -19.055) 19.902 9.455 ( 0.000 -5.742 19.055) 19.902 10.119 ( -0.000 3.170 -4.177) 5.244 10.119 ( 0.000 3.170 4.177) 5.244 10.966 ( -0.000 -5.385 -4.985) 7.338 10.966 ( 0.000 -5.385 4.985) 7.338 11.134 ( 0.000 10.016 -6.259) 11.810 11.134 ( 0.000 10.016 6.259) 11.810 13.445 ( 0.000 -1.094 -3.286) 3.463 13.445 ( 0.000 -1.094 3.286) 3.463 13.853 ( 0.000 2.733 -4.498) 5.263 13.853 ( 0.000 2.733 4.498) 5.263 14.309 ( 0.000 -15.076 -7.097) 16.663 14.309 ( 0.000 -15.076 7.097) 16.663 14.891 ( 0.000 7.859 -6.454) 10.169 14.891 ( 0.000 7.859 6.454) 10.169 18.626 ( 0.000 0.094 -13.656) 13.657 18.626 ( 0.000 0.094 13.656) 13.657 18.890 ( 0.000 2.101 -5.159) 5.570 18.890 ( 0.000 2.101 5.159) 5.570 21.451 ( 0.000 1.287 -26.435) 26.466 21.451 ( 0.000 1.287 26.435) 26.466 21.680 ( 0.000 -0.752 -26.204) 26.215 21.680 ( 0.000 -0.752 26.204) 26.215 28.716 ( 0.000 -3.056 -3.403) 4.574 28.716 ( -0.000 -3.056 3.403) 4.574 29.224 ( 0.000 -17.636 -5.786) 18.561 29.224 ( 0.000 -17.636 5.786) 18.561 31.502 ( -0.000 -2.250 -13.694) 13.878 31.502 ( 0.000 -2.250 13.694) 13.878 31.573 ( 0.000 -2.727 -13.440) 13.714 31.573 ( -0.000 -2.727 13.440) 13.714 34.503 ( 0.000 -9.283 -1.303) 9.374 34.503 ( 0.000 -9.283 1.303) 9.374 35.913 ( 0.000 32.536 -3.011) 32.675 35.913 ( 0.000 32.536 3.011) 32.675======================= Grid point 370 (121/126) =======================q-point: ( 0.00 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 117Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( 0.000 13.648 -5.261) 14.627 2.362 ( 0.000 13.648 5.261) 14.627 3.232 ( 0.000 6.072 -3.382) 6.951 3.232 ( 0.000 6.072 3.382) 6.951 3.695 ( 0.000 17.219 -5.376) 18.039 3.695 ( 0.000 17.219 5.377) 18.039 4.523 ( 0.000 22.724 -5.032) 23.275 4.523 ( 0.000 22.724 5.032) 23.275 5.299 ( 0.000 -18.898 -4.547) 19.437 5.299 ( 0.000 -18.898 4.547) 19.437 5.848 ( 0.000 4.540 -20.177) 20.682 5.848 ( 0.000 4.540 20.177) 20.682 6.375 ( 0.000 -13.219 -6.763) 14.849 6.375 ( 0.000 -13.219 6.763) 14.849 7.876 ( 0.000 -9.364 -20.964) 22.960 7.876 ( 0.000 -9.364 20.964) 22.960 8.260 ( 0.000 0.960 -14.216) 14.248 8.260 ( 0.000 0.960 14.216) 14.248 9.258 ( 0.000 -5.522 -19.618) 20.381 9.258 ( 0.000 -5.522 19.618) 20.381 10.187 ( 0.000 1.917 -6.408) 6.689 10.187 ( 0.000 1.917 6.408) 6.689 11.033 ( 0.000 -3.690 -5.370) 6.515 11.033 ( 0.000 -3.690 5.370) 6.515 11.200 ( 0.000 6.648 -8.383) 10.700 11.200 ( 0.000 6.648 8.383) 10.700 13.324 ( 0.000 -0.812 -8.040) 8.081 13.324 ( 0.000 -0.812 8.040) 8.081 13.872 ( 0.000 4.597 -8.945) 10.057 13.872 ( 0.000 4.597 8.945) 10.057 14.100 ( 0.000 -14.191 -9.664) 17.168 14.100 ( 0.000 -14.191 9.664) 17.168 15.054 ( 0.000 7.605 -5.828) 9.582 15.054 ( 0.000 7.605 5.828) 9.582 18.578 ( 0.000 -7.614 -9.854) 12.452 18.578 ( 0.000 -7.614 9.854) 12.452 18.961 ( 0.000 8.233 -10.299) 13.186 18.961 ( 0.000 8.233 10.299) 13.186 21.560 ( 0.000 0.607 -30.781) 30.787 21.560 ( 0.000 0.607 30.781) 30.787 21.588 ( 0.000 0.170 -31.070) 31.070 21.588 ( 0.000 0.170 31.070) 31.071 28.679 ( 0.000 1.270 -17.038) 17.085 28.679 ( 0.000 1.270 17.038) 17.085 28.888 ( 0.000 -17.311 -17.580) 24.672 28.888 ( 0.000 -17.311 17.580) 24.672 31.507 ( 0.000 -3.226 -17.513) 17.807 31.507 ( 0.000 -3.226 17.513) 17.807 31.535 ( 0.000 3.654 -16.203) 16.610 31.535 ( 0.000 3.654 16.203) 16.610 34.313 ( 0.000 -8.545 -3.163) 9.112 34.313 ( 0.000 -8.545 3.163) 9.112 36.462 ( 0.000 21.836 -3.759) 22.157 36.462 ( 0.000 21.836 3.759) 22.157======================= Grid point 372 (122/126) =======================q-point: ( 0.25 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.367 ( 0.912 12.974 -4.864) 13.886 2.367 ( 0.912 12.974 4.864) 13.886 3.208 ( -2.475 10.563 -0.730) 10.873 3.208 ( -2.475 10.563 0.730) 10.873 3.607 ( -6.578 21.866 -1.668) 22.895 3.607 ( -6.578 21.866 1.668) 22.895 4.503 ( -1.904 21.641 -3.924) 22.076 4.503 ( -1.904 21.641 3.924) 22.076 5.328 ( 4.147 -24.456 -5.864) 25.489 5.328 ( 4.147 -24.456 5.864) 25.489 6.028 ( 12.690 -2.066 -11.338) 17.143 6.028 ( 12.690 -2.066 11.339) 17.143 6.360 ( -1.161 -8.345 -7.063) 10.995 6.360 ( -1.161 -8.345 7.064) 10.995 7.790 ( -6.792 -11.613 -16.384) 21.199 7.790 ( -6.792 -11.613 16.384) 21.199 8.237 ( -2.032 6.583 -8.321) 10.803 8.237 ( -2.032 6.583 8.321) 10.803 9.278 ( 1.628 -7.641 -18.660) 20.229 9.278 ( 1.628 -7.641 18.660) 20.230 10.203 ( 1.247 4.020 -4.936) 6.487 10.203 ( 1.247 4.020 4.936) 6.487 10.923 ( -6.706 -4.667 -4.032) 9.111 10.923 ( -6.706 -4.667 4.032) 9.111 11.282 ( 4.447 7.648 -5.961) 10.668 11.282 ( 4.447 7.648 5.961) 10.668 13.345 ( 1.647 -3.191 -4.586) 5.825 13.345 ( 1.647 -3.191 4.586) 5.825 13.886 ( 1.269 2.436 -5.881) 6.491 13.886 ( 1.269 2.436 5.881) 6.491 14.077 ( -2.046 -11.533 -11.212) 16.214 14.077 ( -2.046 -11.533 11.212) 16.214 15.059 ( 0.427 8.088 -5.183) 9.615 15.059 ( 0.427 8.088 5.183) 9.615 18.550 ( -2.062 -7.071 -7.987) 10.865 18.550 ( -2.062 -7.071 7.987) 10.865 18.989 ( 2.005 7.501 -6.481) 10.113 18.989 ( 2.005 7.501 6.481) 10.113 21.515 ( -2.183 2.025 -29.346) 29.497 21.515 ( -2.183 2.025 29.346) 29.497 21.632 ( 2.139 -1.146 -29.165) 29.266 21.632 ( 2.139 -1.146 29.165) 29.266 28.667 ( -0.835 -0.863 -11.761) 11.822 28.667 ( -0.835 -0.863 11.761) 11.822 28.898 ( 0.732 -15.226 -12.653) 19.810 28.898 ( 0.732 -15.226 12.653) 19.810 31.480 ( -1.440 -1.155 -14.048) 14.169 31.480 ( -1.440 -1.155 14.048) 14.169 31.561 ( 1.381 1.685 -13.236) 13.414 31.561 ( 1.381 1.685 13.236) 13.414 34.315 ( 0.210 -8.608 -2.323) 8.919 34.315 ( 0.210 -8.608 2.323) 8.919 36.460 ( -0.150 21.826 -2.875) 22.015 36.460 ( -0.150 21.826 2.875) 22.015======================= Grid point 374 (123/126) =======================q-point: (-0.50 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.387 ( -0.000 11.686 -1.373) 11.766 2.387 ( -0.000 11.686 1.373) 11.766 3.165 ( 0.000 18.423 -4.633) 18.997 3.165 ( 0.000 18.423 4.633) 18.997 3.528 ( 0.000 22.256 -2.429) 22.388 3.528 ( 0.000 22.256 2.429) 22.388 4.477 ( 0.000 19.795 -0.682) 19.807 4.477 ( 0.000 19.795 0.682) 19.807 5.396 ( 0.000 -26.439 -6.109) 27.135 5.396 ( 0.000 -26.439 6.109) 27.135 6.177 ( -0.000 -25.207 -7.401) 26.271 6.177 ( 0.000 -25.207 7.401) 26.271 6.349 ( 0.000 11.661 -15.225) 19.177 6.349 ( 0.000 11.661 15.225) 19.177 7.701 ( 0.000 -13.197 -10.630) 16.946 7.701 ( -0.000 -13.197 10.630) 16.946 8.209 ( 0.000 11.433 -4.133) 12.157 8.209 ( -0.000 11.433 4.133) 12.157 9.299 ( 0.000 -9.557 -18.318) 20.662 9.299 ( 0.000 -9.557 18.319) 20.662 10.219 ( -0.000 6.428 -2.589) 6.930 10.219 ( 0.000 6.428 2.589) 6.930 10.846 ( 0.000 -6.392 -3.983) 7.531 10.846 ( 0.000 -6.392 3.983) 7.531 11.329 ( 0.000 9.058 -5.893) 10.807 11.329 ( 0.000 9.058 5.893) 10.807 13.367 ( 0.000 -5.440 -1.829) 5.739 13.367 ( 0.000 -5.440 1.829) 5.739 13.906 ( 0.000 -1.449 -4.584) 4.808 13.906 ( -0.000 -1.449 4.584) 4.808 14.046 ( 0.000 -7.218 -13.493) 15.302 14.046 ( -0.000 -7.219 13.493) 15.302 15.065 ( 0.000 8.548 -4.566) 9.691 15.065 ( 0.000 8.548 4.566) 9.691 18.525 ( 0.000 -6.755 -6.822) 9.601 18.525 ( 0.000 -6.755 6.822) 9.601 19.013 ( 0.000 6.993 -0.537) 7.014 19.013 ( 0.000 6.993 0.537) 7.014 21.492 ( 0.000 2.732 -29.420) 29.547 21.492 ( 0.000 2.732 29.420) 29.547 21.655 ( 0.000 -1.748 -29.099) 29.151 21.655 ( 0.000 -1.748 29.099) 29.151 28.657 ( 0.000 -2.606 -5.616) 6.191 28.657 ( -0.000 -2.606 5.616) 6.191 28.907 ( 0.000 -13.529 -7.477) 15.458 28.907 ( 0.000 -13.529 7.477) 15.458 31.464 ( 0.000 -0.906 -13.772) 13.801 31.464 ( 0.000 -0.906 13.772) 13.801 31.576 ( 0.000 1.538 -12.971) 13.062 31.576 ( 0.000 1.538 12.971) 13.062 34.318 ( 0.000 -8.672 -0.879) 8.716 34.318 ( -0.000 -8.672 0.879) 8.716 36.458 ( -0.000 21.817 -1.537) 21.871 36.458 ( 0.000 21.817 1.537) 21.871======================= Grid point 380 (124/126) =======================q-point: ( 0.00 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 117Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.565 ( 0.000 5.696 -2.563) 6.246 2.565 ( 0.000 5.696 2.563) 6.246 3.298 ( 0.000 1.234 -8.581) 8.669 3.298 ( 0.000 1.234 8.581) 8.669 3.976 ( 0.000 9.410 -6.053) 11.189 3.976 ( 0.000 9.410 6.053) 11.189 4.833 ( 0.000 8.120 -3.855) 8.989 4.833 ( 0.000 8.120 3.855) 8.989 4.987 ( 0.000 -10.523 -4.323) 11.377 4.987 ( 0.000 -10.523 4.324) 11.377 5.959 ( 0.000 4.375 -18.533) 19.042 5.959 ( 0.000 4.375 18.533) 19.042 6.198 ( 0.000 -4.463 -2.966) 5.358 6.198 ( 0.000 -4.462 2.966) 5.358 7.711 ( 0.000 -5.443 -19.871) 20.603 7.711 ( 0.000 -5.443 19.871) 20.603 8.268 ( 0.000 0.062 -13.216) 13.216 8.268 ( 0.000 0.062 13.216) 13.216 9.183 ( 0.000 -1.923 -22.884) 22.964 9.183 ( 0.000 -1.923 22.884) 22.964 10.214 ( 0.000 0.742 -2.680) 2.781 10.214 ( 0.000 0.742 2.680) 2.781 10.979 ( 0.000 -1.509 -2.896) 3.266 10.979 ( 0.000 -1.509 2.896) 3.266 11.295 ( 0.000 2.595 -5.105) 5.727 11.295 ( 0.000 2.595 5.105) 5.727 13.321 ( 0.000 0.214 -9.908) 9.911 13.321 ( 0.000 0.214 9.908) 9.911 13.893 ( 0.000 -5.871 -9.669) 11.312 13.893 ( 0.000 -5.871 9.669) 11.312 13.934 ( 0.000 1.573 -3.350) 3.701 13.934 ( 0.000 1.573 3.350) 3.701 15.165 ( 0.000 3.124 -3.061) 4.373 15.165 ( 0.000 3.124 3.061) 4.373 18.469 ( 0.000 -3.012 -10.292) 10.724 18.469 ( 0.000 -3.012 10.292) 10.724 19.074 ( 0.000 2.926 -9.886) 10.310 19.074 ( 0.000 2.926 9.886) 10.310 21.569 ( 0.000 0.252 -31.051) 31.053 21.569 ( 0.000 0.252 31.052) 31.053 21.592 ( 0.000 0.153 -31.425) 31.426 21.592 ( 0.000 0.153 31.425) 31.426 28.649 ( 0.000 -6.341 -16.659) 17.825 28.649 ( 0.000 -6.341 16.659) 17.825 28.696 ( 0.000 0.467 -17.058) 17.064 28.696 ( 0.000 0.467 17.058) 17.064 31.467 ( 0.000 -0.952 -17.278) 17.305 31.467 ( 0.000 -0.952 17.278) 17.305 31.593 ( 0.000 1.760 -16.280) 16.375 31.593 ( 0.000 1.760 16.280) 16.375 34.186 ( 0.000 -3.572 -2.807) 4.543 34.186 ( 0.000 -3.572 2.807) 4.543 36.757 ( 0.000 7.652 -3.416) 8.380 36.757 ( 0.000 7.652 3.416) 8.380======================= Grid point 382 (125/126) =======================q-point: ( 0.25 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 154Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( -2.840 3.043 -1.866) 4.561 2.518 ( -2.840 3.043 1.866) 4.561 3.410 ( 8.228 7.714 -5.885) 12.722 3.410 ( 8.228 7.714 5.885) 12.722 4.015 ( 3.141 15.256 -5.561) 16.539 4.015 ( 3.141 15.256 5.561) 16.539 4.747 ( -11.181 0.514 -5.628) 12.528 4.747 ( -11.181 0.514 5.628) 12.528 4.939 ( 1.735 -9.425 -1.214) 9.660 4.939 ( 1.735 -9.425 1.214) 9.660 5.859 ( -7.011 -7.707 -1.889) 10.589 5.859 ( -7.011 -7.707 1.889) 10.589 6.392 ( 13.385 4.287 -11.229) 17.990 6.392 ( 13.385 4.287 11.229) 17.990 7.600 ( -8.445 -6.012 -14.218) 17.595 7.600 ( -8.445 -6.012 14.218) 17.595 8.345 ( 5.380 3.466 -8.577) 10.702 8.345 ( 5.380 3.466 8.577) 10.702 9.151 ( -2.577 -4.153 -17.843) 18.500 9.151 ( -2.577 -4.153 17.843) 18.500 10.270 ( 4.709 2.135 -1.652) 5.428 10.270 ( 4.709 2.135 1.652) 5.428 10.849 ( -8.987 -2.253 -3.120) 9.776 10.849 ( -8.987 -2.253 3.120) 9.776 11.395 ( 6.208 3.189 -3.296) 7.718 11.395 ( 6.208 3.189 3.296) 7.718 13.298 ( -1.806 -1.321 -6.249) 6.638 13.298 ( -1.806 -1.321 6.249) 6.638 13.826 ( -3.193 -4.402 -2.470) 5.973 13.826 ( -3.193 -4.402 2.470) 5.973 14.002 ( 3.299 0.575 -5.220) 6.202 14.002 ( 3.299 0.575 5.220) 6.202 15.179 ( 1.093 3.401 -2.420) 4.315 15.179 ( 1.093 3.401 2.420) 4.315 18.445 ( -1.821 -2.966 -6.995) 7.813 18.445 ( -1.821 -2.966 6.995) 7.813 19.094 ( 1.540 2.799 -6.526) 7.266 19.094 ( 1.540 2.799 6.526) 7.266 21.559 ( -0.621 2.149 -30.711) 30.792 21.559 ( -0.621 2.149 30.711) 30.792 21.604 ( 0.686 -1.709 -30.705) 30.761 21.604 ( 0.686 -1.709 30.705) 30.761 28.635 ( -0.926 -2.553 -9.556) 9.934 28.635 ( -0.926 -2.553 9.556) 9.934 28.707 ( 0.654 -3.416 -10.073) 10.656 28.707 ( 0.654 -3.416 10.073) 10.656 31.463 ( -0.299 -0.403 -11.890) 11.900 31.463 ( -0.299 -0.403 11.890) 11.900 31.600 ( 0.499 1.348 -11.141) 11.233 31.600 ( 0.499 1.348 11.141) 11.233 34.188 ( 0.120 -3.610 -2.000) 4.129 34.188 ( 0.120 -3.610 2.000) 4.129 36.755 ( -0.159 7.649 -2.440) 8.030 36.755 ( -0.159 7.649 2.440) 8.030======================= Grid point 384 (126/126) =======================q-point: (-0.50 0.45 -0.50)Boundary mean free path (millimeter): 1000.000Mass 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.09e-04 3.09e-04 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.489 ( -0.000 1.225 -1.094) 1.643 2.489 ( -0.000 1.225 1.094) 1.643 3.513 ( 0.000 12.611 -1.124) 12.661 3.513 ( -0.000 12.611 1.124) 12.661 4.056 ( 0.000 27.619 -4.394) 27.967 4.056 ( -0.000 27.619 4.394) 27.967 4.590 ( 0.000 -12.977 -4.878) 13.863 4.590 ( 0.000 -12.977 4.878) 13.864 4.984 ( -0.000 -9.104 -0.433) 9.114 4.984 ( 0.000 -9.104 0.433) 9.114 5.766 ( 0.000 -12.441 -2.927) 12.781 5.766 ( 0.000 -12.441 2.927) 12.781 6.558 ( 0.000 6.931 -7.269) 10.044 6.558 ( 0.000 6.931 7.269) 10.044 7.490 ( 0.000 -6.710 -5.827) 8.887 7.490 ( -0.000 -6.710 5.827) 8.887 8.409 ( 0.000 7.131 -4.557) 8.463 8.409 ( -0.000 7.131 4.557) 8.463 9.117 ( -0.000 -6.864 -9.505) 11.724 9.117 ( 0.000 -6.864 9.505) 11.724 10.339 ( 0.000 4.394 -0.565) 4.430 10.339 ( 0.000 4.394 0.565) 4.430 10.734 ( -0.000 -3.973 -1.794) 4.359 10.734 ( 0.000 -3.973 1.794) 4.359 11.465 ( 0.000 3.910 -2.490) 4.635 11.465 ( 0.000 3.910 2.490) 4.635 13.275 ( 0.000 -2.911 -0.163) 2.915 13.275 ( 0.000 -2.911 0.163) 2.915 13.792 ( 0.000 -4.476 -1.242) 4.646 13.792 ( 0.000 -4.476 1.242) 4.646 14.037 ( -0.000 1.137 -4.266) 4.415 14.037 ( 0.000 1.137 4.266) 4.415 15.193 ( 0.000 3.672 -1.709) 4.050 15.193 ( 0.000 3.672 1.709) 4.050 18.422 ( 0.000 -2.943 -2.175) 3.659 18.422 ( 0.000 -2.943 2.175) 3.659 19.113 ( 0.000 2.694 -0.164) 2.699 19.113 ( 0.000 2.694 0.164) 2.699 21.552 ( 0.000 3.142 -30.733) 30.893 21.552 ( 0.000 3.142 30.733) 30.893 21.611 ( 0.000 -2.668 -30.576) 30.692 21.611 ( 0.000 -2.668 30.576) 30.692 28.624 ( -0.000 -0.545 -6.264) 6.288 28.624 ( 0.000 -0.545 6.264) 6.288 28.714 ( 0.000 -5.519 -6.951) 8.875 28.714 ( 0.000 -5.519 6.951) 8.875 31.459 ( 0.000 0.072 -4.977) 4.977 31.459 ( 0.000 0.072 4.977) 4.977 31.606 ( 0.000 1.009 -4.608) 4.717 31.606 ( 0.000 1.009 4.608) 4.717 34.189 ( 0.000 -3.648 -0.302) 3.661 34.189 ( -0.000 -3.648 0.302) 3.661 36.753 ( -0.000 7.646 -0.451) 7.659 36.753 ( 0.000 7.646 0.451) 7.659=================== 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 3/28512 10.0 38.651 50.553 42.294 0.000 0.000 0.000 3/28512 20.0 23.664 42.515 24.975 0.000 0.000 -0.000 3/28512 30.0 18.495 40.031 18.910 0.000 0.000 0.000 3/28512 40.0 15.807 38.310 16.482 0.000 0.000 0.000 3/28512 50.0 14.024 36.168 15.138 0.000 0.000 0.000 3/28512 60.0 12.656 33.735 14.102 0.000 0.000 0.000 3/28512 70.0 11.525 31.242 13.164 0.000 0.000 0.000 3/28512 80.0 10.557 28.836 12.287 0.000 0.000 0.000 3/28512 90.0 9.713 26.593 11.475 0.000 0.000 0.000 3/28512 100.0 8.973 24.546 10.731 0.000 0.000 0.000 3/28512 110.0 8.319 22.702 10.057 0.000 0.000 0.000 3/28512 120.0 7.741 21.052 9.450 0.000 0.000 0.000 3/28512 130.0 7.227 19.581 8.906 0.000 0.000 0.000 3/28512 140.0 6.770 18.270 8.418 0.000 0.000 0.000 3/28512 150.0 6.362 17.101 7.980 0.000 0.000 0.000 3/28512 160.0 5.996 16.058 7.587 0.000 0.000 0.000 3/28512 170.0 5.668 15.124 7.234 0.000 0.000 0.000 3/28512 180.0 5.372 14.286 6.915 0.000 0.000 0.000 3/28512 190.0 5.104 13.532 6.625 0.000 0.000 0.000 3/28512 200.0 4.861 12.851 6.363 0.000 0.000 0.000 3/28512 210.0 4.640 12.234 6.123 0.000 0.000 0.000 3/28512 220.0 4.439 11.674 5.903 0.000 0.000 0.000 3/28512 230.0 4.254 11.164 5.701 0.000 0.000 0.000 3/28512 240.0 4.084 10.698 5.515 0.000 0.000 0.000 3/28512 250.0 3.928 10.271 5.342 0.000 0.000 0.000 3/28512 260.0 3.784 9.878 5.181 0.000 0.000 0.000 3/28512 270.0 3.650 9.516 5.032 0.000 0.000 0.000 3/28512 280.0 3.526 9.181 4.892 0.000 0.000 0.000 3/28512 290.0 3.411 8.871 4.761 0.000 0.000 0.000 3/28512 300.0 3.303 8.583 4.637 0.000 0.000 0.000 3/28512 310.0 3.203 8.314 4.521 0.000 0.000 0.000 3/28512 320.0 3.108 8.064 4.410 0.000 0.000 0.000 3/28512 330.0 3.020 7.829 4.306 0.000 0.000 0.000 3/28512 340.0 2.936 7.609 4.207 0.000 0.000 0.000 3/28512 350.0 2.858 7.402 4.113 0.000 0.000 0.000 3/28512 360.0 2.783 7.208 4.023 0.000 0.000 0.000 3/28512 370.0 2.713 7.024 3.937 0.000 0.000 0.000 3/28512 380.0 2.646 6.850 3.855 0.000 0.000 0.000 3/28512 390.0 2.583 6.686 3.777 0.000 0.000 0.000 3/28512 400.0 2.523 6.529 3.702 0.000 0.000 0.000 3/28512 410.0 2.465 6.381 3.629 0.000 0.000 0.000 3/28512 420.0 2.411 6.240 3.560 0.000 0.000 0.000 3/28512 430.0 2.358 6.105 3.493 0.000 0.000 0.000 3/28512 440.0 2.308 5.977 3.429 0.000 0.000 0.000 3/28512 450.0 2.261 5.854 3.367 0.000 0.000 0.000 3/28512 460.0 2.215 5.737 3.307 0.000 0.000 0.000 3/28512 470.0 2.171 5.624 3.250 0.000 0.000 0.000 3/28512 480.0 2.129 5.516 3.194 0.000 0.000 0.000 3/28512 490.0 2.089 5.413 3.140 0.000 0.000 0.000 3/28512 500.0 2.050 5.313 3.088 0.000 0.000 0.000 3/28512 510.0 2.012 5.217 3.038 0.000 0.000 0.000 3/28512 520.0 1.976 5.125 2.989 0.000 0.000 0.000 3/28512 530.0 1.941 5.036 2.942 0.000 0.000 0.000 3/28512 540.0 1.908 4.951 2.896 0.000 0.000 0.000 3/28512 550.0 1.875 4.868 2.851 0.000 0.000 0.000 3/28512 560.0 1.844 4.788 2.808 0.000 0.000 0.000 3/28512 570.0 1.814 4.711 2.766 0.000 0.000 0.000 3/28512 580.0 1.784 4.636 2.725 0.000 0.000 0.000 3/28512 590.0 1.756 4.564 2.686 0.000 0.000 0.000 3/28512 600.0 1.729 4.494 2.647 0.000 0.000 0.000 3/28512 610.0 1.702 4.426 2.610 0.000 0.000 0.000 3/28512 620.0 1.676 4.360 2.573 0.000 0.000 0.000 3/28512 630.0 1.651 4.296 2.538 0.000 0.000 0.000 3/28512 640.0 1.627 4.234 2.503 0.000 0.000 0.000 3/28512 650.0 1.603 4.174 2.469 0.000 0.000 0.000 3/28512 660.0 1.581 4.116 2.437 0.000 0.000 0.000 3/28512 670.0 1.558 4.059 2.405 0.000 0.000 0.000 3/28512 680.0 1.537 4.004 2.373 0.000 0.000 0.000 3/28512 690.0 1.516 3.950 2.343 0.000 0.000 0.000 3/28512 700.0 1.495 3.897 2.313 0.000 0.000 0.000 3/28512 710.0 1.475 3.847 2.284 0.000 0.000 0.000 3/28512 720.0 1.456 3.797 2.256 0.000 0.000 0.000 3/28512 730.0 1.437 3.748 2.229 0.000 0.000 0.000 3/28512 740.0 1.418 3.701 2.202 0.000 0.000 0.000 3/28512 750.0 1.400 3.655 2.175 0.000 0.000 0.000 3/28512 760.0 1.383 3.610 2.149 0.000 0.000 0.000 3/28512 770.0 1.366 3.567 2.124 0.000 0.000 0.000 3/28512 780.0 1.349 3.524 2.100 0.000 0.000 0.000 3/28512 790.0 1.333 3.482 2.076 0.000 0.000 0.000 3/28512 800.0 1.317 3.441 2.052 0.000 0.000 0.000 3/28512 810.0 1.302 3.402 2.029 0.000 0.000 0.000 3/28512 820.0 1.286 3.363 2.007 0.000 0.000 0.000 3/28512 830.0 1.272 3.325 1.985 0.000 0.000 0.000 3/28512 840.0 1.257 3.287 1.963 0.000 0.000 0.000 3/28512 850.0 1.243 3.251 1.942 0.000 0.000 0.000 3/28512 860.0 1.229 3.216 1.921 0.000 0.000 0.000 3/28512 870.0 1.216 3.181 1.901 0.000 0.000 0.000 3/28512 880.0 1.202 3.147 1.881 0.000 0.000 0.000 3/28512 890.0 1.189 3.113 1.862 0.000 0.000 0.000 3/28512 900.0 1.177 3.081 1.842 0.000 0.000 0.000 3/28512 910.0 1.164 3.049 1.824 0.000 0.000 0.000 3/28512 920.0 1.152 3.017 1.805 0.000 0.000 0.000 3/28512 930.0 1.140 2.987 1.787 0.000 0.000 0.000 3/28512 940.0 1.129 2.956 1.770 0.000 0.000 0.000 3/28512 950.0 1.117 2.927 1.753 0.000 0.000 0.000 3/28512 960.0 1.106 2.898 1.736 0.000 0.000 0.000 3/28512 970.0 1.095 2.870 1.719 0.000 0.000 0.000 3/28512 980.0 1.084 2.842 1.703 0.000 0.000 0.000 3/28512 990.0 1.074 2.814 1.686 0.000 0.000 0.000 3/28512 1000.0 1.063 2.788 1.671 0.000 0.000 0.000 3/28512Thermal conductivity related properties were written into "kappa-m41112.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 08:01:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|