# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/3e9966df-d5c4-4bc9-8c41-c7e85f76e78c/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 Ca(DyS2)2 / I-42d (122) / materials id 35787](https://mdr.nims.go.jp/datasets/affe5838-3d9f-4b16-b6f2-9eb7da33de9d) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 09:27:19]-------------------------Compiled with OpenMP support (max 128 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: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I-42d (122)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a -4.118745715000001 4.118745715000001 4.122999345000000 b 4.118745715000001 -4.118745715000001 4.122999345000000 c 4.118745715000001 4.118745715000001 -4.122999345000000Atomic positions (fractional): *1 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 2 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 *3 Dy 0.87500000000000 0.25262072209889 0.87762072209889 162.500 4 Dy 0.00262072209889 0.12500000000000 0.37762072209889 162.500 5 Dy 0.37500000000000 0.99737927790111 0.12237927790111 162.500 6 Dy 0.74737927790111 0.62500000000000 0.62237927790111 162.500 *7 S 0.48288436127049 0.23309630233570 0.60177404469338 32.065 8 S 0.63132225764233 0.88111031657711 0.39822595530663 32.065 9 S 0.11867774235767 0.01690369766430 0.74978805893478 32.065 10 S 0.98309630233570 0.73288436127049 0.10177404469338 32.065 11 S 0.63111031657711 0.88132225764233 0.89822595530662 32.065 12 S 0.76690369766430 0.36867774235767 0.24978805893478 32.065 13 S 0.11888968342289 0.51711563872951 0.75021194106522 32.065 14 S 0.26711563872951 0.36888968342289 0.25021194106521 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 8.237491430000002 0.000000000000000 0.000000000000000 b 0.000000000000000 8.237491430000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.245998690000000Atomic positions (fractional): *1 Ca 0.00000000000000 0.50000000000000 0.75000000000000 40.078 > 1 2 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 2 3 Ca 0.50000000000000 0.00000000000000 0.25000000000000 40.078 > 1 4 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 2 *5 Dy 0.12762072209889 0.75000000000000 0.12500000000000 162.500 > 3 6 Dy 0.25000000000000 0.12762072209889 0.87500000000000 162.500 > 4 7 Dy 0.37237927790111 0.75000000000000 0.62500000000000 162.500 > 5 8 Dy 0.25000000000000 0.37237927790111 0.37500000000000 162.500 > 6 9 Dy 0.62762072209889 0.25000000000000 0.62500000000000 162.500 > 3 10 Dy 0.75000000000000 0.62762072209889 0.37500000000000 162.500 > 4 11 Dy 0.87237927790111 0.25000000000000 0.12500000000000 162.500 > 5 12 Dy 0.75000000000000 0.87237927790111 0.87500000000000 162.500 > 6 *13 S 0.17599299287930 0.42578105181408 0.05710330945641 32.065 > 7 14 S 0.32400700712071 0.07421894818592 0.55710330945641 32.065 > 8 15 S 0.32400700712071 0.42578105181408 0.69289669054359 32.065 > 9 16 S 0.92578105181408 0.17599299287930 0.80710330945641 32.065 > 10 17 S 0.57421894818592 0.32400700712071 0.30710330945641 32.065 > 11 18 S 0.92578105181408 0.32400700712071 0.44289669054359 32.065 > 12 19 S 0.57421894818592 0.17599299287930 0.94289669054359 32.065 > 13 20 S 0.17599299287930 0.07421894818592 0.19289669054359 32.065 > 14 21 S 0.67599299287930 0.92578105181408 0.55710330945641 32.065 > 7 22 S 0.82400700712070 0.57421894818592 0.05710330945641 32.065 > 8 23 S 0.82400700712070 0.92578105181408 0.19289669054359 32.065 > 9 24 S 0.42578105181408 0.67599299287930 0.30710330945641 32.065 > 10 25 S 0.07421894818592 0.82400700712070 0.80710330945641 32.065 > 11 26 S 0.42578105181408 0.82400700712070 0.94289669054359 32.065 > 12 27 S 0.07421894818592 0.67599299287930 0.44289669054359 32.065 > 13 28 S 0.67599299287930 0.57421894818592 0.69289669054359 32.065 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 16.474982860000004 0.000000000000000 0.000000000000000 b 0.000000000000000 16.474982860000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.245998690000000Atomic positions (fractional): *1 Ca 0.00000000000000 0.25000000000000 0.75000000000000 40.078 > 1 2 Ca 0.50000000000000 0.25000000000000 0.75000000000000 40.078 > 1 3 Ca 0.00000000000000 0.75000000000000 0.75000000000000 40.078 > 1 4 Ca 0.50000000000000 0.75000000000000 0.75000000000000 40.078 > 1 5 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 2 6 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 2 7 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 2 8 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 2 9 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 1 10 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 1 11 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 1 12 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 1 13 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 2 14 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 2 15 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 2 16 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 2 *17 Dy 0.06381036104944 0.37500000000000 0.12500000000000 162.500 > 3 18 Dy 0.56381036104944 0.37500000000000 0.12500000000000 162.500 > 3 19 Dy 0.06381036104944 0.87500000000000 0.12500000000000 162.500 > 3 20 Dy 0.56381036104944 0.87500000000000 0.12500000000000 162.500 > 3 21 Dy 0.12500000000000 0.06381036104944 0.87500000000000 162.500 > 4 22 Dy 0.62500000000000 0.06381036104944 0.87500000000000 162.500 > 4 23 Dy 0.12500000000000 0.56381036104944 0.87500000000000 162.500 > 4 24 Dy 0.62500000000000 0.56381036104944 0.87500000000000 162.500 > 4 25 Dy 0.18618963895056 0.37500000000000 0.62500000000000 162.500 > 5 26 Dy 0.68618963895056 0.37500000000000 0.62500000000000 162.500 > 5 27 Dy 0.18618963895056 0.87500000000000 0.62500000000000 162.500 > 5 28 Dy 0.68618963895056 0.87500000000000 0.62500000000000 162.500 > 5 29 Dy 0.12500000000000 0.18618963895056 0.37500000000000 162.500 > 6 30 Dy 0.62500000000000 0.18618963895056 0.37500000000000 162.500 > 6 31 Dy 0.12500000000000 0.68618963895056 0.37500000000000 162.500 > 6 32 Dy 0.62500000000000 0.68618963895056 0.37500000000000 162.500 > 6 33 Dy 0.31381036104944 0.12500000000000 0.62500000000000 162.500 > 3 34 Dy 0.81381036104944 0.12500000000000 0.62500000000000 162.500 > 3 35 Dy 0.31381036104944 0.62500000000000 0.62500000000000 162.500 > 3 36 Dy 0.81381036104944 0.62500000000000 0.62500000000000 162.500 > 3 37 Dy 0.37500000000000 0.31381036104944 0.37500000000000 162.500 > 4 38 Dy 0.87500000000000 0.31381036104944 0.37500000000000 162.500 > 4 39 Dy 0.37500000000000 0.81381036104944 0.37500000000000 162.500 > 4 40 Dy 0.87500000000000 0.81381036104944 0.37500000000000 162.500 > 4 41 Dy 0.43618963895056 0.12500000000000 0.12500000000000 162.500 > 5 42 Dy 0.93618963895056 0.12500000000000 0.12500000000000 162.500 > 5 43 Dy 0.43618963895056 0.62500000000000 0.12500000000000 162.500 > 5 44 Dy 0.93618963895056 0.62500000000000 0.12500000000000 162.500 > 5 45 Dy 0.37500000000000 0.43618963895056 0.87500000000000 162.500 > 6 46 Dy 0.87500000000000 0.43618963895056 0.87500000000000 162.500 > 6 47 Dy 0.37500000000000 0.93618963895056 0.87500000000000 162.500 > 6 48 Dy 0.87500000000000 0.93618963895056 0.87500000000000 162.500 > 6 *49 S 0.08799649643965 0.21289052590704 0.05710330945641 32.065 > 7 50 S 0.58799649643965 0.21289052590704 0.05710330945641 32.065 > 7 51 S 0.08799649643965 0.71289052590704 0.05710330945641 32.065 > 7 52 S 0.58799649643965 0.71289052590704 0.05710330945641 32.065 > 7 53 S 0.16200350356035 0.03710947409296 0.55710330945641 32.065 > 8 54 S 0.66200350356035 0.03710947409296 0.55710330945641 32.065 > 8 55 S 0.16200350356035 0.53710947409296 0.55710330945641 32.065 > 8 56 S 0.66200350356035 0.53710947409296 0.55710330945641 32.065 > 8 57 S 0.16200350356035 0.21289052590704 0.69289669054359 32.065 > 9 58 S 0.66200350356035 0.21289052590704 0.69289669054359 32.065 > 9 59 S 0.16200350356035 0.71289052590704 0.69289669054359 32.065 > 9 60 S 0.66200350356035 0.71289052590704 0.69289669054359 32.065 > 9 61 S 0.46289052590704 0.08799649643965 0.80710330945641 32.065 > 10 62 S 0.96289052590704 0.08799649643965 0.80710330945641 32.065 > 10 63 S 0.46289052590704 0.58799649643965 0.80710330945641 32.065 > 10 64 S 0.96289052590704 0.58799649643965 0.80710330945641 32.065 > 10 65 S 0.28710947409296 0.16200350356035 0.30710330945641 32.065 > 11 66 S 0.78710947409296 0.16200350356035 0.30710330945641 32.065 > 11 67 S 0.28710947409296 0.66200350356035 0.30710330945641 32.065 > 11 68 S 0.78710947409296 0.66200350356035 0.30710330945641 32.065 > 11 69 S 0.46289052590704 0.16200350356035 0.44289669054359 32.065 > 12 70 S 0.96289052590704 0.16200350356035 0.44289669054359 32.065 > 12 71 S 0.46289052590704 0.66200350356035 0.44289669054359 32.065 > 12 72 S 0.96289052590704 0.66200350356035 0.44289669054359 32.065 > 12 73 S 0.28710947409296 0.08799649643965 0.94289669054359 32.065 > 13 74 S 0.78710947409296 0.08799649643965 0.94289669054359 32.065 > 13 75 S 0.28710947409296 0.58799649643965 0.94289669054359 32.065 > 13 76 S 0.78710947409296 0.58799649643965 0.94289669054359 32.065 > 13 77 S 0.08799649643965 0.03710947409296 0.19289669054359 32.065 > 14 78 S 0.58799649643965 0.03710947409296 0.19289669054359 32.065 > 14 79 S 0.08799649643965 0.53710947409296 0.19289669054359 32.065 > 14 80 S 0.58799649643965 0.53710947409296 0.19289669054359 32.065 > 14 81 S 0.33799649643965 0.46289052590704 0.55710330945641 32.065 > 7 82 S 0.83799649643965 0.46289052590704 0.55710330945641 32.065 > 7 83 S 0.33799649643965 0.96289052590704 0.55710330945641 32.065 > 7 84 S 0.83799649643965 0.96289052590704 0.55710330945641 32.065 > 7 85 S 0.41200350356035 0.28710947409296 0.05710330945641 32.065 > 8 86 S 0.91200350356035 0.28710947409296 0.05710330945641 32.065 > 8 87 S 0.41200350356035 0.78710947409296 0.05710330945641 32.065 > 8 88 S 0.91200350356035 0.78710947409296 0.05710330945641 32.065 > 8 89 S 0.41200350356035 0.46289052590704 0.19289669054359 32.065 > 9 90 S 0.91200350356035 0.46289052590704 0.19289669054359 32.065 > 9 91 S 0.41200350356035 0.96289052590704 0.19289669054359 32.065 > 9 92 S 0.91200350356035 0.96289052590704 0.19289669054359 32.065 > 9 93 S 0.21289052590704 0.33799649643965 0.30710330945641 32.065 > 10 94 S 0.71289052590704 0.33799649643965 0.30710330945641 32.065 > 10 95 S 0.21289052590704 0.83799649643965 0.30710330945641 32.065 > 10 96 S 0.71289052590704 0.83799649643965 0.30710330945641 32.065 > 10 97 S 0.03710947409296 0.41200350356035 0.80710330945641 32.065 > 11 98 S 0.53710947409296 0.41200350356035 0.80710330945641 32.065 > 11 99 S 0.03710947409296 0.91200350356035 0.80710330945641 32.065 > 11 100 S 0.53710947409296 0.91200350356035 0.80710330945641 32.065 > 11 101 S 0.21289052590704 0.41200350356035 0.94289669054359 32.065 > 12 102 S 0.71289052590704 0.41200350356035 0.94289669054359 32.065 > 12 103 S 0.21289052590704 0.91200350356035 0.94289669054359 32.065 > 12 104 S 0.71289052590704 0.91200350356035 0.94289669054359 32.065 > 12 105 S 0.03710947409296 0.33799649643965 0.44289669054359 32.065 > 13 106 S 0.53710947409296 0.33799649643965 0.44289669054359 32.065 > 13 107 S 0.03710947409296 0.83799649643965 0.44289669054359 32.065 > 13 108 S 0.53710947409296 0.83799649643965 0.44289669054359 32.065 > 13 109 S 0.33799649643965 0.28710947409296 0.69289669054359 32.065 > 14 110 S 0.83799649643965 0.28710947409296 0.69289669054359 32.065 > 14 111 S 0.33799649643965 0.78710947409296 0.69289669054359 32.065 > 14 112 S 0.83799649643965 0.78710947409296 0.69289669054359 32.065 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.1862057 0.0000000 0.0000000 0.0000000 8.1862057 0.0000000 0.0000000 0.0000000 8.0906973-------------------------- Born effective charges -------------------------- 1 Ca 2.4382479 0.0814973 0.0000000 -0.0814973 2.4382479 0.0000000 -0.0000000 0.0000000 2.8374581 2 Ca 2.4382479 -0.0814973 0.0000000 0.0814973 2.4382479 0.0000000 -0.0000000 0.0000000 2.8374581 3 Dy 3.7934832 -0.0000000 0.0000000 -0.0000000 4.1088062 -0.3142814 -0.0000000 -0.2906362 3.8060444 4 Dy 4.1088062 -0.0000000 -0.3142814 -0.0000000 3.7934832 0.0000000 -0.2906362 0.0000000 3.8060444 5 Dy 3.7934832 -0.0000000 0.0000000 -0.0000000 4.1088062 0.3142814 -0.0000000 0.2906362 3.8060444 6 Dy 4.1088062 -0.0000000 0.3142814 -0.0000000 3.7934832 0.0000000 0.2906362 0.0000000 3.8060444 7 S -2.2957912 -0.1541936 -0.1770932 -0.1421375 -2.8744774 -0.2324844 -0.0577293 -0.3668716 -2.6123867 8 S -2.2957912 -0.1541936 0.1770932 -0.1421375 -2.8744774 0.2324844 0.0577293 0.3668716 -2.6123867 9 S -2.2957912 0.1541936 -0.1770932 0.1421375 -2.8744774 0.2324844 -0.0577293 0.3668716 -2.6123867 10 S -2.8744774 -0.1421375 -0.2324844 -0.1541936 -2.2957912 -0.1770932 -0.3668716 -0.0577293 -2.6123867 11 S -2.8744774 -0.1421375 0.2324844 -0.1541936 -2.2957912 0.1770932 0.3668716 0.0577293 -2.6123867 12 S -2.8744774 0.1421375 0.2324844 0.1541936 -2.2957912 -0.1770932 0.3668716 -0.0577293 -2.6123867 13 S -2.8744774 0.1421375 -0.2324844 0.1541936 -2.2957912 0.1770932 -0.3668716 0.0577293 -2.6123867 14 S -2.2957912 0.1541936 0.1770932 0.1421375 -2.8744774 -0.2324844 0.0577293 -0.3668716 -2.6123867----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 336/336Permutation basis: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 937Number of blocks in projector: 937Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 390Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 236Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 119Use standard eigh solver.Tree of FC basis block matrices:- (937, 920), data: False|-- (119, 116), data: True|-- (192, 189), data: True|-- (236, 231), data: True|-- (390, 384), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 240 - Time: 0.977Solver_block: 200 / 240 - Time: 1.001Solver_block: 240 / 240 - Time: 0.465Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.459--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336Permutation basis: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 937Number of blocks in projector: 937Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 390Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 236Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 192Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 119Use standard eigh solver.Tree of FC basis block matrices:- (937, 920), data: False|-- (119, 116), data: True|-- (192, 189), data: True|-- (236, 231), data: True|-- (390, 384), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 09:27:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 09:27:32]-------------------------Compiled with OpenMP support (max 128 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): [2 2 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I-42d (122)------------------------------ primitive cell ------------------------------Lattice vectors: a -4.118745715000001 4.118745715000001 4.122999345000000 b 4.118745715000001 -4.118745715000001 4.122999345000000 c 4.118745715000001 4.118745715000001 -4.122999345000000Atomic positions (fractional): 1 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 2 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 3 Dy 0.87500000000000 0.25262072209889 0.87762072209889 162.500 4 Dy 0.00262072209889 0.12500000000000 0.37762072209889 162.500 5 Dy 0.37500000000000 0.99737927790111 0.12237927790111 162.500 6 Dy 0.74737927790111 0.62500000000000 0.62237927790111 162.500 7 S 0.48288436127049 0.23309630233570 0.60177404469338 32.065 8 S 0.63132225764233 0.88111031657711 0.39822595530663 32.065 9 S 0.11867774235767 0.01690369766430 0.74978805893478 32.065 10 S 0.98309630233570 0.73288436127049 0.10177404469338 32.065 11 S 0.63111031657711 0.88132225764233 0.89822595530662 32.065 12 S 0.76690369766430 0.36867774235767 0.24978805893478 32.065 13 S 0.11888968342289 0.51711563872951 0.75021194106522 32.065 14 S 0.26711563872951 0.36888968342289 0.25021194106521 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 16.474982860000004 0.000000000000000 0.000000000000000 b 0.000000000000000 16.474982860000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.245998690000000Atomic positions (fractional): 1 Ca 0.00000000000000 0.25000000000000 0.75000000000000 40.078 > 1 2 Ca 0.50000000000000 0.25000000000000 0.75000000000000 40.078 > 1 3 Ca 0.00000000000000 0.75000000000000 0.75000000000000 40.078 > 1 4 Ca 0.50000000000000 0.75000000000000 0.75000000000000 40.078 > 1 5 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 5 6 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 5 7 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 5 8 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 5 9 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 1 10 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 1 11 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 1 12 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 1 13 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 5 14 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 5 15 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 5 16 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 5 17 Dy 0.06381036104944 0.37500000000000 0.12500000000000 162.500 > 17 18 Dy 0.56381036104944 0.37500000000000 0.12500000000000 162.500 > 17 19 Dy 0.06381036104944 0.87500000000000 0.12500000000000 162.500 > 17 20 Dy 0.56381036104944 0.87500000000000 0.12500000000000 162.500 > 17 21 Dy 0.12500000000000 0.06381036104944 0.87500000000000 162.500 > 21 22 Dy 0.62500000000000 0.06381036104944 0.87500000000000 162.500 > 21 23 Dy 0.12500000000000 0.56381036104944 0.87500000000000 162.500 > 21 24 Dy 0.62500000000000 0.56381036104944 0.87500000000000 162.500 > 21 25 Dy 0.18618963895056 0.37500000000000 0.62500000000000 162.500 > 25 26 Dy 0.68618963895056 0.37500000000000 0.62500000000000 162.500 > 25 27 Dy 0.18618963895056 0.87500000000000 0.62500000000000 162.500 > 25 28 Dy 0.68618963895056 0.87500000000000 0.62500000000000 162.500 > 25 29 Dy 0.12500000000000 0.18618963895056 0.37500000000000 162.500 > 29 30 Dy 0.62500000000000 0.18618963895056 0.37500000000000 162.500 > 29 31 Dy 0.12500000000000 0.68618963895056 0.37500000000000 162.500 > 29 32 Dy 0.62500000000000 0.68618963895056 0.37500000000000 162.500 > 29 33 Dy 0.31381036104944 0.12500000000000 0.62500000000000 162.500 > 17 34 Dy 0.81381036104944 0.12500000000000 0.62500000000000 162.500 > 17 35 Dy 0.31381036104944 0.62500000000000 0.62500000000000 162.500 > 17 36 Dy 0.81381036104944 0.62500000000000 0.62500000000000 162.500 > 17 37 Dy 0.37500000000000 0.31381036104944 0.37500000000000 162.500 > 21 38 Dy 0.87500000000000 0.31381036104944 0.37500000000000 162.500 > 21 39 Dy 0.37500000000000 0.81381036104944 0.37500000000000 162.500 > 21 40 Dy 0.87500000000000 0.81381036104944 0.37500000000000 162.500 > 21 41 Dy 0.43618963895056 0.12500000000000 0.12500000000000 162.500 > 25 42 Dy 0.93618963895056 0.12500000000000 0.12500000000000 162.500 > 25 43 Dy 0.43618963895056 0.62500000000000 0.12500000000000 162.500 > 25 44 Dy 0.93618963895056 0.62500000000000 0.12500000000000 162.500 > 25 45 Dy 0.37500000000000 0.43618963895056 0.87500000000000 162.500 > 29 46 Dy 0.87500000000000 0.43618963895056 0.87500000000000 162.500 > 29 47 Dy 0.37500000000000 0.93618963895056 0.87500000000000 162.500 > 29 48 Dy 0.87500000000000 0.93618963895056 0.87500000000000 162.500 > 29 49 S 0.08799649643965 0.21289052590704 0.05710330945641 32.065 > 49 50 S 0.58799649643965 0.21289052590704 0.05710330945641 32.065 > 49 51 S 0.08799649643965 0.71289052590704 0.05710330945641 32.065 > 49 52 S 0.58799649643965 0.71289052590704 0.05710330945641 32.065 > 49 53 S 0.16200350356035 0.03710947409296 0.55710330945641 32.065 > 53 54 S 0.66200350356035 0.03710947409296 0.55710330945641 32.065 > 53 55 S 0.16200350356035 0.53710947409296 0.55710330945641 32.065 > 53 56 S 0.66200350356035 0.53710947409296 0.55710330945641 32.065 > 53 57 S 0.16200350356035 0.21289052590704 0.69289669054359 32.065 > 57 58 S 0.66200350356035 0.21289052590704 0.69289669054359 32.065 > 57 59 S 0.16200350356035 0.71289052590704 0.69289669054359 32.065 > 57 60 S 0.66200350356035 0.71289052590704 0.69289669054359 32.065 > 57 61 S 0.46289052590704 0.08799649643965 0.80710330945641 32.065 > 61 62 S 0.96289052590704 0.08799649643965 0.80710330945641 32.065 > 61 63 S 0.46289052590704 0.58799649643965 0.80710330945641 32.065 > 61 64 S 0.96289052590704 0.58799649643965 0.80710330945641 32.065 > 61 65 S 0.28710947409296 0.16200350356035 0.30710330945641 32.065 > 65 66 S 0.78710947409296 0.16200350356035 0.30710330945641 32.065 > 65 67 S 0.28710947409296 0.66200350356035 0.30710330945641 32.065 > 65 68 S 0.78710947409296 0.66200350356035 0.30710330945641 32.065 > 65 69 S 0.46289052590704 0.16200350356035 0.44289669054359 32.065 > 69 70 S 0.96289052590704 0.16200350356035 0.44289669054359 32.065 > 69 71 S 0.46289052590704 0.66200350356035 0.44289669054359 32.065 > 69 72 S 0.96289052590704 0.66200350356035 0.44289669054359 32.065 > 69 73 S 0.28710947409296 0.08799649643965 0.94289669054359 32.065 > 73 74 S 0.78710947409296 0.08799649643965 0.94289669054359 32.065 > 73 75 S 0.28710947409296 0.58799649643965 0.94289669054359 32.065 > 73 76 S 0.78710947409296 0.58799649643965 0.94289669054359 32.065 > 73 77 S 0.08799649643965 0.03710947409296 0.19289669054359 32.065 > 77 78 S 0.58799649643965 0.03710947409296 0.19289669054359 32.065 > 77 79 S 0.08799649643965 0.53710947409296 0.19289669054359 32.065 > 77 80 S 0.58799649643965 0.53710947409296 0.19289669054359 32.065 > 77 81 S 0.33799649643965 0.46289052590704 0.55710330945641 32.065 > 49 82 S 0.83799649643965 0.46289052590704 0.55710330945641 32.065 > 49 83 S 0.33799649643965 0.96289052590704 0.55710330945641 32.065 > 49 84 S 0.83799649643965 0.96289052590704 0.55710330945641 32.065 > 49 85 S 0.41200350356035 0.28710947409296 0.05710330945641 32.065 > 53 86 S 0.91200350356035 0.28710947409296 0.05710330945641 32.065 > 53 87 S 0.41200350356035 0.78710947409296 0.05710330945641 32.065 > 53 88 S 0.91200350356035 0.78710947409296 0.05710330945641 32.065 > 53 89 S 0.41200350356035 0.46289052590704 0.19289669054359 32.065 > 57 90 S 0.91200350356035 0.46289052590704 0.19289669054359 32.065 > 57 91 S 0.41200350356035 0.96289052590704 0.19289669054359 32.065 > 57 92 S 0.91200350356035 0.96289052590704 0.19289669054359 32.065 > 57 93 S 0.21289052590704 0.33799649643965 0.30710330945641 32.065 > 61 94 S 0.71289052590704 0.33799649643965 0.30710330945641 32.065 > 61 95 S 0.21289052590704 0.83799649643965 0.30710330945641 32.065 > 61 96 S 0.71289052590704 0.83799649643965 0.30710330945641 32.065 > 61 97 S 0.03710947409296 0.41200350356035 0.80710330945641 32.065 > 65 98 S 0.53710947409296 0.41200350356035 0.80710330945641 32.065 > 65 99 S 0.03710947409296 0.91200350356035 0.80710330945641 32.065 > 65 100 S 0.53710947409296 0.91200350356035 0.80710330945641 32.065 > 65 101 S 0.21289052590704 0.41200350356035 0.94289669054359 32.065 > 69 102 S 0.71289052590704 0.41200350356035 0.94289669054359 32.065 > 69 103 S 0.21289052590704 0.91200350356035 0.94289669054359 32.065 > 69 104 S 0.71289052590704 0.91200350356035 0.94289669054359 32.065 > 69 105 S 0.03710947409296 0.33799649643965 0.44289669054359 32.065 > 73 106 S 0.53710947409296 0.33799649643965 0.44289669054359 32.065 > 73 107 S 0.03710947409296 0.83799649643965 0.44289669054359 32.065 > 73 108 S 0.53710947409296 0.83799649643965 0.44289669054359 32.065 > 73 109 S 0.33799649643965 0.28710947409296 0.69289669054359 32.065 > 77 110 S 0.83799649643965 0.28710947409296 0.69289669054359 32.065 > 77 111 S 0.33799649643965 0.78710947409296 0.69289669054359 32.065 > 77 112 S 0.83799649643965 0.78710947409296 0.69289669054359 32.065 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 8.1862057 0.0000000 0.0000000 0.0000000 8.1862057 0.0000000 0.0000000 0.0000000 8.0906973-------------------------- Born effective charges -------------------------- 1 Ca 2.4382479 0.0814973 0.0000000 -0.0814973 2.4382479 0.0000000 -0.0000000 0.0000000 2.8374581 2 Ca 2.4382479 -0.0814973 0.0000000 0.0814973 2.4382479 0.0000000 -0.0000000 0.0000000 2.8374581 3 Dy 3.7934832 -0.0000000 0.0000000 -0.0000000 4.1088062 -0.3142814 -0.0000000 -0.2906362 3.8060444 4 Dy 4.1088062 -0.0000000 -0.3142814 -0.0000000 3.7934832 0.0000000 -0.2906362 0.0000000 3.8060444 5 Dy 3.7934832 -0.0000000 0.0000000 -0.0000000 4.1088062 0.3142814 -0.0000000 0.2906362 3.8060444 6 Dy 4.1088062 -0.0000000 0.3142814 -0.0000000 3.7934832 0.0000000 0.2906362 0.0000000 3.8060444 7 S -2.2957912 -0.1541936 -0.1770932 -0.1421375 -2.8744774 -0.2324844 -0.0577293 -0.3668716 -2.6123867 8 S -2.2957912 -0.1541936 0.1770932 -0.1421375 -2.8744774 0.2324844 0.0577293 0.3668716 -2.6123867 9 S -2.2957912 0.1541936 -0.1770932 0.1421375 -2.8744774 0.2324844 -0.0577293 0.3668716 -2.6123867 10 S -2.8744774 -0.1421375 -0.2324844 -0.1541936 -2.2957912 -0.1770932 -0.3668716 -0.0577293 -2.6123867 11 S -2.8744774 -0.1421375 0.2324844 -0.1541936 -2.2957912 0.1770932 0.3668716 0.0577293 -2.6123867 12 S -2.8744774 0.1421375 0.2324844 0.1541936 -2.2957912 -0.1770932 0.3668716 -0.0577293 -2.6123867 13 S -2.8744774 0.1421375 -0.2324844 0.1541936 -2.2957912 0.1770932 -0.3668716 0.0577293 -2.6123867 14 S -2.2957912 0.1541936 0.1770932 0.1421375 -2.8744774 -0.2324844 0.0577293 -0.3668716 -2.6123867----------------------------------------------------------------------------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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 09:27:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 09:27:44]-------------------------Compiled with OpenMP support (max 128 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): [2 2 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I-42d (122)------------------------------ primitive cell ------------------------------Lattice vectors: a -4.118745715000001 4.118745715000001 4.122999345000000 b 4.118745715000001 -4.118745715000001 4.122999345000000 c 4.118745715000001 4.118745715000001 -4.122999345000000Atomic positions (fractional): 1 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 2 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 3 Dy 0.87500000000000 0.25262072209889 0.87762072209889 162.500 4 Dy 0.00262072209889 0.12500000000000 0.37762072209889 162.500 5 Dy 0.37500000000000 0.99737927790111 0.12237927790111 162.500 6 Dy 0.74737927790111 0.62500000000000 0.62237927790111 162.500 7 S 0.48288436127049 0.23309630233570 0.60177404469338 32.065 8 S 0.63132225764233 0.88111031657711 0.39822595530663 32.065 9 S 0.11867774235767 0.01690369766430 0.74978805893478 32.065 10 S 0.98309630233570 0.73288436127049 0.10177404469338 32.065 11 S 0.63111031657711 0.88132225764233 0.89822595530662 32.065 12 S 0.76690369766430 0.36867774235767 0.24978805893478 32.065 13 S 0.11888968342289 0.51711563872951 0.75021194106522 32.065 14 S 0.26711563872951 0.36888968342289 0.25021194106521 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 16.474982860000004 0.000000000000000 0.000000000000000 b 0.000000000000000 16.474982860000004 0.000000000000000 c 0.000000000000000 0.000000000000000 8.245998690000000Atomic positions (fractional): 1 Ca 0.00000000000000 0.25000000000000 0.75000000000000 40.078 > 1 2 Ca 0.50000000000000 0.25000000000000 0.75000000000000 40.078 > 1 3 Ca 0.00000000000000 0.75000000000000 0.75000000000000 40.078 > 1 4 Ca 0.50000000000000 0.75000000000000 0.75000000000000 40.078 > 1 5 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 5 6 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 5 7 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 5 8 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 5 9 Ca 0.25000000000000 0.00000000000000 0.25000000000000 40.078 > 1 10 Ca 0.75000000000000 0.00000000000000 0.25000000000000 40.078 > 1 11 Ca 0.25000000000000 0.50000000000000 0.25000000000000 40.078 > 1 12 Ca 0.75000000000000 0.50000000000000 0.25000000000000 40.078 > 1 13 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 5 14 Ca 0.75000000000000 0.25000000000000 0.00000000000000 40.078 > 5 15 Ca 0.25000000000000 0.75000000000000 0.00000000000000 40.078 > 5 16 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 5 17 Dy 0.06381036104944 0.37500000000000 0.12500000000000 162.500 > 17 18 Dy 0.56381036104944 0.37500000000000 0.12500000000000 162.500 > 17 19 Dy 0.06381036104944 0.87500000000000 0.12500000000000 162.500 > 17 20 Dy 0.56381036104944 0.87500000000000 0.12500000000000 162.500 > 17 21 Dy 0.12500000000000 0.06381036104944 0.87500000000000 162.500 > 21 22 Dy 0.62500000000000 0.06381036104944 0.87500000000000 162.500 > 21 23 Dy 0.12500000000000 0.56381036104944 0.87500000000000 162.500 > 21 24 Dy 0.62500000000000 0.56381036104944 0.87500000000000 162.500 > 21 25 Dy 0.18618963895056 0.37500000000000 0.62500000000000 162.500 > 25 26 Dy 0.68618963895056 0.37500000000000 0.62500000000000 162.500 > 25 27 Dy 0.18618963895056 0.87500000000000 0.62500000000000 162.500 > 25 28 Dy 0.68618963895056 0.87500000000000 0.62500000000000 162.500 > 25 29 Dy 0.12500000000000 0.18618963895056 0.37500000000000 162.500 > 29 30 Dy 0.62500000000000 0.18618963895056 0.37500000000000 162.500 > 29 31 Dy 0.12500000000000 0.68618963895056 0.37500000000000 162.500 > 29 32 Dy 0.62500000000000 0.68618963895056 0.37500000000000 162.500 > 29 33 Dy 0.31381036104944 0.12500000000000 0.62500000000000 162.500 > 17 34 Dy 0.81381036104944 0.12500000000000 0.62500000000000 162.500 > 17 35 Dy 0.31381036104944 0.62500000000000 0.62500000000000 162.500 > 17 36 Dy 0.81381036104944 0.62500000000000 0.62500000000000 162.500 > 17 37 Dy 0.37500000000000 0.31381036104944 0.37500000000000 162.500 > 21 38 Dy 0.87500000000000 0.31381036104944 0.37500000000000 162.500 > 21 39 Dy 0.37500000000000 0.81381036104944 0.37500000000000 162.500 > 21 40 Dy 0.87500000000000 0.81381036104944 0.37500000000000 162.500 > 21 41 Dy 0.43618963895056 0.12500000000000 0.12500000000000 162.500 > 25 42 Dy 0.93618963895056 0.12500000000000 0.12500000000000 162.500 > 25 43 Dy 0.43618963895056 0.62500000000000 0.12500000000000 162.500 > 25 44 Dy 0.93618963895056 0.62500000000000 0.12500000000000 162.500 > 25 45 Dy 0.37500000000000 0.43618963895056 0.87500000000000 162.500 > 29 46 Dy 0.87500000000000 0.43618963895056 0.87500000000000 162.500 > 29 47 Dy 0.37500000000000 0.93618963895056 0.87500000000000 162.500 > 29 48 Dy 0.87500000000000 0.93618963895056 0.87500000000000 162.500 > 29 49 S 0.08799649643965 0.21289052590704 0.05710330945641 32.065 > 49 50 S 0.58799649643965 0.21289052590704 0.05710330945641 32.065 > 49 51 S 0.08799649643965 0.71289052590704 0.05710330945641 32.065 > 49 52 S 0.58799649643965 0.71289052590704 0.05710330945641 32.065 > 49 53 S 0.16200350356035 0.03710947409296 0.55710330945641 32.065 > 53 54 S 0.66200350356035 0.03710947409296 0.55710330945641 32.065 > 53 55 S 0.16200350356035 0.53710947409296 0.55710330945641 32.065 > 53 56 S 0.66200350356035 0.53710947409296 0.55710330945641 32.065 > 53 57 S 0.16200350356035 0.21289052590704 0.69289669054359 32.065 > 57 58 S 0.66200350356035 0.21289052590704 0.69289669054359 32.065 > 57 59 S 0.16200350356035 0.71289052590704 0.69289669054359 32.065 > 57 60 S 0.66200350356035 0.71289052590704 0.69289669054359 32.065 > 57 61 S 0.46289052590704 0.08799649643965 0.80710330945641 32.065 > 61 62 S 0.96289052590704 0.08799649643965 0.80710330945641 32.065 > 61 63 S 0.46289052590704 0.58799649643965 0.80710330945641 32.065 > 61 64 S 0.96289052590704 0.58799649643965 0.80710330945641 32.065 > 61 65 S 0.28710947409296 0.16200350356035 0.30710330945641 32.065 > 65 66 S 0.78710947409296 0.16200350356035 0.30710330945641 32.065 > 65 67 S 0.28710947409296 0.66200350356035 0.30710330945641 32.065 > 65 68 S 0.78710947409296 0.66200350356035 0.30710330945641 32.065 > 65 69 S 0.46289052590704 0.16200350356035 0.44289669054359 32.065 > 69 70 S 0.96289052590704 0.16200350356035 0.44289669054359 32.065 > 69 71 S 0.46289052590704 0.66200350356035 0.44289669054359 32.065 > 69 72 S 0.96289052590704 0.66200350356035 0.44289669054359 32.065 > 69 73 S 0.28710947409296 0.08799649643965 0.94289669054359 32.065 > 73 74 S 0.78710947409296 0.08799649643965 0.94289669054359 32.065 > 73 75 S 0.28710947409296 0.58799649643965 0.94289669054359 32.065 > 73 76 S 0.78710947409296 0.58799649643965 0.94289669054359 32.065 > 73 77 S 0.08799649643965 0.03710947409296 0.19289669054359 32.065 > 77 78 S 0.58799649643965 0.03710947409296 0.19289669054359 32.065 > 77 79 S 0.08799649643965 0.53710947409296 0.19289669054359 32.065 > 77 80 S 0.58799649643965 0.53710947409296 0.19289669054359 32.065 > 77 81 S 0.33799649643965 0.46289052590704 0.55710330945641 32.065 > 49 82 S 0.83799649643965 0.46289052590704 0.55710330945641 32.065 > 49 83 S 0.33799649643965 0.96289052590704 0.55710330945641 32.065 > 49 84 S 0.83799649643965 0.96289052590704 0.55710330945641 32.065 > 49 85 S 0.41200350356035 0.28710947409296 0.05710330945641 32.065 > 53 86 S 0.91200350356035 0.28710947409296 0.05710330945641 32.065 > 53 87 S 0.41200350356035 0.78710947409296 0.05710330945641 32.065 > 53 88 S 0.91200350356035 0.78710947409296 0.05710330945641 32.065 > 53 89 S 0.41200350356035 0.46289052590704 0.19289669054359 32.065 > 57 90 S 0.91200350356035 0.46289052590704 0.19289669054359 32.065 > 57 91 S 0.41200350356035 0.96289052590704 0.19289669054359 32.065 > 57 92 S 0.91200350356035 0.96289052590704 0.19289669054359 32.065 > 57 93 S 0.21289052590704 0.33799649643965 0.30710330945641 32.065 > 61 94 S 0.71289052590704 0.33799649643965 0.30710330945641 32.065 > 61 95 S 0.21289052590704 0.83799649643965 0.30710330945641 32.065 > 61 96 S 0.71289052590704 0.83799649643965 0.30710330945641 32.065 > 61 97 S 0.03710947409296 0.41200350356035 0.80710330945641 32.065 > 65 98 S 0.53710947409296 0.41200350356035 0.80710330945641 32.065 > 65 99 S 0.03710947409296 0.91200350356035 0.80710330945641 32.065 > 65 100 S 0.53710947409296 0.91200350356035 0.80710330945641 32.065 > 65 101 S 0.21289052590704 0.41200350356035 0.94289669054359 32.065 > 69 102 S 0.71289052590704 0.41200350356035 0.94289669054359 32.065 > 69 103 S 0.21289052590704 0.91200350356035 0.94289669054359 32.065 > 69 104 S 0.71289052590704 0.91200350356035 0.94289669054359 32.065 > 69 105 S 0.03710947409296 0.33799649643965 0.44289669054359 32.065 > 73 106 S 0.53710947409296 0.33799649643965 0.44289669054359 32.065 > 73 107 S 0.03710947409296 0.83799649643965 0.44289669054359 32.065 > 73 108 S 0.53710947409296 0.83799649643965 0.44289669054359 32.065 > 73 109 S 0.33799649643965 0.28710947409296 0.69289669054359 32.065 > 77 110 S 0.83799649643965 0.28710947409296 0.69289669054359 32.065 > 77 111 S 0.33799649643965 0.78710947409296 0.69289669054359 32.065 > 77 112 S 0.83799649643965 0.78710947409296 0.69289669054359 32.065 > 77----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 8.1862057 0.0000000 0.0000000 0.0000000 8.1862057 0.0000000 0.0000000 0.0000000 8.0906973-------------------------- Born effective charges -------------------------- 1 Ca 2.4382479 0.0814973 0.0000000 -0.0814973 2.4382479 0.0000000 -0.0000000 0.0000000 2.8374581 2 Ca 2.4382479 -0.0814973 0.0000000 0.0814973 2.4382479 0.0000000 -0.0000000 0.0000000 2.8374581 3 Dy 3.7934832 -0.0000000 0.0000000 -0.0000000 4.1088062 -0.3142814 -0.0000000 -0.2906362 3.8060444 4 Dy 4.1088062 -0.0000000 -0.3142814 -0.0000000 3.7934832 0.0000000 -0.2906362 0.0000000 3.8060444 5 Dy 3.7934832 -0.0000000 0.0000000 -0.0000000 4.1088062 0.3142814 -0.0000000 0.2906362 3.8060444 6 Dy 4.1088062 -0.0000000 0.3142814 -0.0000000 3.7934832 0.0000000 0.2906362 0.0000000 3.8060444 7 S -2.2957912 -0.1541936 -0.1770932 -0.1421375 -2.8744774 -0.2324844 -0.0577293 -0.3668716 -2.6123867 8 S -2.2957912 -0.1541936 0.1770932 -0.1421375 -2.8744774 0.2324844 0.0577293 0.3668716 -2.6123867 9 S -2.2957912 0.1541936 -0.1770932 0.1421375 -2.8744774 0.2324844 -0.0577293 0.3668716 -2.6123867 10 S -2.8744774 -0.1421375 -0.2324844 -0.1541936 -2.2957912 -0.1770932 -0.3668716 -0.0577293 -2.6123867 11 S -2.8744774 -0.1421375 0.2324844 -0.1541936 -2.2957912 0.1770932 0.3668716 0.0577293 -2.6123867 12 S -2.8744774 0.1421375 0.2324844 0.1541936 -2.2957912 -0.1770932 0.3668716 -0.0577293 -2.6123867 13 S -2.8744774 0.1421375 -0.2324844 0.1541936 -2.2957912 0.1770932 -0.3668716 0.0577293 -2.6123867 14 S -2.2957912 0.1541936 0.1770932 0.1421375 -2.8744774 -0.2324844 0.0577293 -0.3668716 -2.6123867----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 9 9 9 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 321, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/75) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating 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 2.110 ( 0.000 0.000 0.000) 0.000 2.627 ( -0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 -0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.191 ( -0.000 -0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.005 ( -0.000 -0.000 0.000) 0.000 5.028 ( 0.000 -0.000 0.000) 0.000 5.708 ( 0.000 -0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.145 ( -0.000 -0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.229 ( -0.000 -0.000 0.000) 0.000 7.445 ( -0.000 -0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.589 ( 0.000 0.000 0.000) 0.000 7.589 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 8.146 ( 0.000 0.000 0.000) 0.000 8.417 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.424 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/75) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.482 ( 0.000 17.354 17.988) 24.995 0.527 ( 0.000 19.110 18.789) 26.800 0.931 ( 0.000 36.754 30.060) 47.481 2.125 ( 0.000 -0.154 2.559) 2.563 2.608 ( -0.000 -1.163 -4.492) 4.640 2.615 ( 0.000 -2.122 -0.154) 2.128 2.651 ( -0.000 1.520 -1.464) 2.111 2.736 ( 0.000 -0.005 2.880) 2.880 2.793 ( 0.000 0.673 2.492) 2.581 3.368 ( 0.000 -4.806 0.264) 4.813 3.406 ( 0.000 0.197 0.092) 0.217 3.678 ( -0.000 -0.471 -4.030) 4.057 4.192 ( -0.000 0.348 -0.975) 1.035 4.317 ( -0.000 8.521 -11.156) 14.038 4.527 ( 0.000 5.914 3.416) 6.830 5.006 ( -0.000 0.338 -0.586) 0.676 5.023 ( -0.000 4.109 -1.567) 4.398 5.188 ( 0.000 -4.760 3.217) 5.745 5.725 ( -0.000 2.319 -0.073) 2.320 5.807 ( 0.000 2.138 3.497) 4.098 5.956 ( -0.000 -1.849 -3.086) 3.597 6.007 ( -0.000 3.022 -5.936) 6.661 6.025 ( -0.000 2.221 -2.358) 3.239 6.327 ( -0.000 -2.278 -1.539) 2.749 6.333 ( 0.000 -1.062 0.892) 1.387 6.823 ( 0.000 -22.023 16.549) 27.547 6.981 ( -0.000 -4.151 -3.854) 5.664 7.028 ( 0.000 -8.977 0.118) 8.977 7.273 ( -0.000 1.881 0.174) 1.889 7.365 ( 0.000 -5.617 -1.517) 5.818 7.477 ( -0.000 7.957 -2.746) 8.418 7.603 ( 0.000 -1.449 6.308) 6.472 7.662 ( 0.000 2.937 6.307) 6.957 7.905 ( 0.000 9.072 3.604) 9.762 8.160 ( 0.000 -1.120 3.118) 3.313 8.424 ( -0.000 1.946 -1.169) 2.270 8.482 ( 0.000 -1.967 0.476) 2.024 8.921 ( -0.000 2.212 -4.233) 4.777 9.042 ( -0.000 -2.170 -0.720) 2.287 9.071 ( 0.000 -0.876 -0.240) 0.908 9.252 ( -0.000 -2.718 -2.586) 3.752 9.428 ( -0.000 3.246 -3.146) 4.520======================= Grid point 2 (3/75) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( 0.000 16.082 16.204) 22.829 1.012 ( 0.000 17.299 16.318) 23.781 1.754 ( 0.000 30.793 20.832) 37.178 2.197 ( 0.000 0.787 9.911) 9.942 2.508 ( -0.000 -2.887 -6.075) 6.726 2.580 ( 0.000 -3.095 -0.433) 3.125 2.663 ( 0.000 1.515 1.004) 1.818 2.776 ( 0.000 -1.399 3.151) 3.448 2.804 ( -0.000 -0.306 -1.256) 1.292 3.308 ( 0.000 -5.602 2.580) 6.168 3.403 ( 0.000 -0.780 -0.201) 0.806 3.632 ( -0.000 -0.207 -1.899) 1.910 4.169 ( -0.000 -0.663 -1.977) 2.085 4.308 ( -0.000 6.697 -4.442) 8.037 4.658 ( 0.000 4.166 5.066) 6.559 4.984 ( -0.000 -1.174 -2.587) 2.841 5.067 ( -0.000 5.906 -2.434) 6.388 5.157 ( -0.000 0.934 -3.859) 3.971 5.750 ( -0.000 0.769 -1.226) 1.448 5.837 ( -0.000 0.896 -2.114) 2.296 5.883 ( -0.000 -1.209 -4.039) 4.216 6.018 ( -0.000 1.824 -2.283) 2.923 6.031 ( 0.000 4.648 1.896) 5.020 6.251 ( -0.000 -5.211 -2.147) 5.636 6.333 ( -0.000 0.567 -0.366) 0.675 6.704 ( 0.000 -12.965 2.026) 13.122 6.853 ( 0.000 -9.805 0.420) 9.814 6.944 ( -0.000 -2.615 -1.122) 2.846 7.257 ( -0.000 -2.833 -1.360) 3.142 7.275 ( 0.000 -5.435 0.383) 5.448 7.582 ( -0.000 9.226 0.307) 9.231 7.704 ( 0.000 2.807 5.861) 6.498 7.830 ( 0.000 6.897 8.728) 11.124 8.066 ( -0.000 7.578 1.910) 7.815 8.199 ( 0.000 -2.079 6.161) 6.503 8.406 ( -0.000 -1.635 -2.251) 2.783 8.485 ( 0.000 1.367 0.991) 1.689 8.872 ( -0.000 3.322 -8.862) 9.464 8.994 ( 0.000 -4.644 1.444) 4.863 9.062 ( -0.000 0.388 -0.758) 0.851 9.156 ( 0.000 -8.027 -0.711) 8.059 9.415 ( -0.000 1.392 -3.744) 3.994======================= Grid point 3 (4/75) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.345 ( 0.000 13.669 13.648) 19.316 1.418 ( 0.000 14.017 11.869) 18.367 2.149 ( 0.000 8.910 2.552) 9.269 2.360 ( -0.000 -5.682 -7.114) 9.104 2.485 ( 0.000 2.544 7.299) 7.729 2.544 ( 0.000 2.653 7.194) 7.667 2.709 ( -0.000 -3.148 -4.617) 5.588 2.762 ( 0.000 7.453 7.715) 10.727 2.823 ( 0.000 -1.227 3.488) 3.698 3.291 ( 0.000 -3.951 3.312) 5.156 3.383 ( -0.000 -1.130 -0.362) 1.186 3.613 ( 0.000 -1.062 -0.024) 1.062 4.134 ( -0.000 -0.459 -0.914) 1.023 4.401 ( -0.000 11.146 0.188) 11.147 4.755 ( 0.000 2.246 2.134) 3.098 4.893 ( -0.000 -2.453 -6.825) 7.253 5.091 ( -0.000 -0.164 -2.838) 2.843 5.129 ( -0.000 4.938 -3.129) 5.846 5.694 ( -0.000 -2.541 -2.591) 3.629 5.835 ( -0.000 1.197 -2.704) 2.957 5.846 ( -0.000 1.900 -0.726) 2.035 5.973 ( -0.000 -4.149 -3.889) 5.686 6.062 ( -0.000 -2.079 -2.492) 3.245 6.204 ( 0.000 0.695 2.736) 2.823 6.341 ( 0.000 0.551 0.422) 0.694 6.579 ( 0.000 -5.411 -1.101) 5.522 6.761 ( 0.000 -5.964 2.884) 6.624 6.914 ( -0.000 -0.656 -0.552) 0.857 7.189 ( 0.000 -3.864 -1.020) 3.996 7.221 ( 0.000 -3.496 -0.178) 3.501 7.720 ( -0.000 8.670 1.866) 8.868 7.821 ( 0.000 2.956 5.473) 6.220 8.044 ( 0.000 6.153 6.820) 9.185 8.131 ( -0.000 2.519 -1.367) 2.866 8.263 ( 0.000 -1.465 5.070) 5.277 8.372 ( -0.000 1.920 -0.231) 1.934 8.518 ( 0.000 0.879 1.099) 1.408 8.785 ( -0.000 1.938 -8.293) 8.517 8.954 ( 0.000 -7.023 2.380) 7.415 9.023 ( 0.000 -7.024 -0.775) 7.067 9.069 ( -0.000 2.373 -2.013) 3.112 9.366 ( -0.000 -1.160 -3.482) 3.670======================= Grid point 4 (5/75) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 0.000 6.605 6.620) 9.352 1.694 ( 0.000 8.074 6.267) 10.220 2.174 ( -0.000 -6.417 -5.533) 8.473 2.242 ( 0.000 1.718 1.115) 2.048 2.460 ( -0.000 0.335 -1.330) 1.371 2.606 ( -0.000 -2.789 -2.888) 4.015 2.680 ( 0.000 1.515 2.611) 3.018 2.844 ( 0.000 -0.641 1.434) 1.571 3.023 ( 0.000 5.448 8.056) 9.725 3.277 ( 0.000 -1.789 0.798) 1.959 3.364 ( -0.000 -0.315 -0.897) 0.951 3.602 ( 0.000 -0.803 0.369) 0.884 4.149 ( 0.000 0.862 1.699) 1.905 4.572 ( -0.000 8.630 2.167) 8.898 4.733 ( -0.000 -1.853 -4.774) 5.121 4.812 ( -0.000 0.794 -1.507) 1.704 5.019 ( -0.000 -3.765 -1.585) 4.085 5.169 ( -0.000 2.780 -0.505) 2.826 5.660 ( 0.000 0.332 0.309) 0.454 5.791 ( -0.000 -5.899 -3.514) 6.866 5.840 ( -0.000 1.139 -0.131) 1.146 5.867 ( -0.000 -0.758 -1.270) 1.479 6.029 ( -0.000 0.574 -1.407) 1.520 6.243 ( 0.000 0.384 1.104) 1.169 6.349 ( 0.000 -0.435 0.449) 0.625 6.526 ( -0.000 -1.187 -0.621) 1.340 6.772 ( 0.000 -0.227 3.171) 3.179 6.898 ( -0.000 -0.312 -1.022) 1.068 7.136 ( -0.000 -1.737 -0.641) 1.852 7.182 ( 0.000 -1.576 -0.154) 1.583 7.853 ( 0.000 6.554 1.856) 6.812 7.906 ( 0.000 0.310 2.091) 2.114 8.095 ( 0.000 -2.953 1.435) 3.283 8.125 ( -0.000 -0.255 -1.719) 1.738 8.350 ( 0.000 3.919 3.978) 5.584 8.416 ( -0.000 2.881 -2.008) 3.512 8.554 ( 0.000 1.438 3.344) 3.640 8.718 ( -0.000 0.438 -4.084) 4.108 8.832 ( 0.000 -8.425 -0.551) 8.443 8.979 ( -0.000 -0.462 -0.313) 0.558 9.088 ( -0.000 1.666 -0.058) 1.667 9.306 ( -0.000 -1.466 -1.763) 2.292======================= Grid point 10 (6/75) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.837 ( 10.254 10.254 18.619) 23.600 0.891 ( 13.636 13.636 17.327) 25.925 1.509 ( 17.704 17.704 29.536) 38.719 2.194 ( 0.415 0.415 8.834) 8.854 2.522 ( -1.285 -1.285 -6.143) 6.407 2.614 ( -1.085 -1.085 0.328) 1.569 2.643 ( 0.405 0.405 -0.169) 0.598 2.790 ( -0.308 -0.308 4.708) 4.728 2.805 ( -0.171 -0.171 -1.502) 1.521 3.344 ( -3.956 -3.956 1.104) 5.702 3.411 ( 0.569 0.569 -0.212) 0.833 3.633 ( 0.373 0.373 -2.254) 2.315 4.181 ( 0.495 0.495 -0.603) 0.924 4.251 ( 3.916 3.916 -6.763) 8.741 4.628 ( 1.905 1.905 7.401) 7.876 4.975 ( -0.271 -0.271 -2.040) 2.076 5.031 ( 4.108 4.108 -2.993) 6.535 5.154 ( -0.128 -0.128 -4.728) 4.732 5.732 ( 0.139 0.139 0.455) 0.495 5.835 ( -0.914 -0.914 -1.583) 2.044 5.916 ( 0.903 0.903 -5.879) 6.017 5.978 ( 3.076 3.076 2.977) 5.272 6.007 ( 1.010 1.010 -2.036) 2.487 6.305 ( -1.254 -1.254 -1.124) 2.100 6.321 ( 0.332 0.332 -1.353) 1.432 6.821 ( -14.757 -14.757 8.159) 22.408 6.873 ( -2.687 -2.687 -7.378) 8.299 7.079 ( -5.073 -5.073 1.238) 7.281 7.186 ( -4.930 -4.930 0.833) 7.022 7.305 ( -4.869 -4.869 -1.746) 7.104 7.512 ( 7.710 7.710 -0.037) 10.904 7.707 ( 0.288 0.288 8.488) 8.498 7.791 ( 3.418 3.418 7.992) 9.340 8.017 ( 7.694 7.694 1.717) 11.015 8.215 ( -0.922 -0.922 6.031) 6.171 8.421 ( 2.417 2.417 -1.960) 3.940 8.457 ( 1.027 1.027 -3.612) 3.893 8.841 ( 2.660 2.660 -9.130) 9.874 9.034 ( -1.859 -1.859 0.626) 2.702 9.041 ( -2.073 -2.073 -0.613) 2.995 9.265 ( -0.931 -0.931 0.173) 1.328 9.366 ( -1.398 -1.398 -2.904) 3.513======================= Grid point 11 (7/75) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.218 ( 6.522 11.492 15.553) 20.408 1.297 ( 9.490 13.171 14.909) 22.041 2.003 ( 5.759 14.393 7.630) 17.278 2.407 ( -0.396 -2.348 -3.457) 4.198 2.440 ( 1.202 3.562 17.567) 17.965 2.579 ( 0.846 -3.603 -0.762) 3.778 2.681 ( -0.700 3.734 4.076) 5.572 2.742 ( 0.164 -1.131 -5.431) 5.550 2.843 ( -0.608 -1.682 4.970) 5.282 3.317 ( -2.713 -3.182 1.910) 4.597 3.404 ( 1.232 -0.045 -1.471) 1.919 3.624 ( -0.282 -0.804 0.776) 1.152 4.167 ( 4.110 -0.365 -1.666) 4.449 4.263 ( -0.155 8.595 -2.173) 8.867 4.737 ( 1.077 1.615 4.301) 4.718 4.915 ( -1.260 -2.060 -5.668) 6.161 5.054 ( 2.001 4.657 -2.086) 5.481 5.103 ( 2.303 2.782 -4.794) 6.002 5.711 ( -2.621 -2.602 -1.144) 3.866 5.816 ( 0.200 1.382 -0.206) 1.411 5.846 ( 1.922 0.478 -4.607) 5.015 5.991 ( 0.788 0.683 -2.233) 2.464 6.081 ( -0.204 0.901 3.478) 3.599 6.249 ( 1.759 -4.451 0.009) 4.786 6.329 ( 0.070 1.661 0.334) 1.696 6.675 ( -2.064 -10.759 -1.674) 11.083 6.790 ( -9.856 -4.461 1.387) 10.907 6.969 ( 1.190 -8.726 1.125) 8.878 7.165 ( -9.818 -1.249 -0.835) 9.932 7.220 ( -4.829 -4.113 -1.426) 6.501 7.643 ( 5.991 8.632 2.191) 10.733 7.823 ( 3.160 0.888 6.980) 7.713 7.957 ( 2.501 6.608 6.134) 9.357 8.112 ( 4.437 5.074 -0.584) 6.766 8.299 ( 1.372 -0.647 7.039) 7.201 8.392 ( 3.884 -0.207 -3.112) 4.981 8.467 ( -0.577 5.415 -2.377) 5.942 8.753 ( 1.492 3.197 -9.388) 10.029 8.997 ( -1.488 -3.305 0.609) 3.675 9.027 ( -2.830 -0.450 -0.225) 2.875 9.186 ( 2.996 -9.062 -0.353) 9.551 9.332 ( -4.879 1.245 -3.289) 6.015======================= Grid point 12 (8/75) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( 3.602 9.912 10.864) 15.140 1.626 ( 7.715 9.207 10.661) 16.061 2.190 ( 1.553 6.409 1.425) 6.746 2.273 ( 0.683 -4.917 -5.065) 7.093 2.478 ( 0.241 -3.539 -2.831) 4.539 2.610 ( -2.922 0.116 -1.361) 3.225 2.670 ( 0.890 -0.130 -0.480) 1.019 2.847 ( -2.848 -2.612 4.538) 5.960 2.970 ( 4.422 6.677 13.759) 15.920 3.292 ( -1.027 -1.337 -1.378) 2.177 3.373 ( 0.896 0.020 -2.739) 2.882 3.620 ( -0.761 -2.326 1.569) 2.907 4.166 ( 5.040 1.390 0.890) 5.304 4.416 ( 0.373 13.225 1.936) 13.371 4.759 ( 0.115 -1.776 -3.418) 3.854 4.807 ( -0.466 -0.090 -3.256) 3.290 5.057 ( 1.715 -0.437 -2.567) 3.118 5.128 ( 1.226 4.170 1.038) 4.469 5.669 ( -1.136 -2.250 0.714) 2.620 5.809 ( 0.198 0.568 -1.960) 2.050 5.845 ( -0.778 0.500 0.871) 1.270 5.940 ( 0.312 -6.601 -0.862) 6.664 6.045 ( 0.649 -2.836 -0.971) 3.068 6.236 ( 0.096 -0.356 1.191) 1.247 6.364 ( 0.915 -0.371 2.258) 2.464 6.540 ( -2.418 -4.352 -2.371) 5.515 6.781 ( -3.725 -2.052 3.870) 5.750 6.901 ( -0.941 -3.276 0.319) 3.424 7.119 ( -7.171 -2.247 -1.947) 7.763 7.158 ( -6.660 -3.187 -0.555) 7.404 7.789 ( 5.041 7.708 2.514) 9.547 7.912 ( 3.307 2.137 2.860) 4.867 8.074 ( 0.296 3.802 -1.487) 4.093 8.161 ( 3.413 0.954 1.273) 3.765 8.340 ( 4.982 1.919 1.598) 5.572 8.407 ( 3.920 2.073 1.142) 4.579 8.507 ( -0.880 4.983 -1.850) 5.388 8.692 ( 0.516 3.311 -5.521) 6.458 8.954 ( -0.993 -5.860 -0.440) 5.960 8.999 ( -1.530 -3.642 -0.541) 3.987 9.079 ( 0.846 -3.309 0.962) 3.548 9.295 ( -4.243 -0.645 -2.516) 4.975======================= Grid point 13 (9/75) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 4.218 0.646 1.141) 4.417 1.789 ( 4.462 -1.207 1.554) 4.877 2.143 ( 3.548 0.905 -1.461) 3.943 2.266 ( 0.990 -1.402 1.228) 2.110 2.450 ( -0.911 1.584 0.522) 1.900 2.570 ( -1.587 0.695 -0.971) 1.986 2.678 ( -1.593 0.329 -1.290) 2.076 2.836 ( -2.318 -2.138 -0.045) 3.153 3.104 ( 3.509 -2.303 -0.648) 4.247 3.253 ( -0.125 1.413 -4.011) 4.254 3.360 ( 0.729 1.260 -0.049) 1.456 3.604 ( -0.821 -1.857 0.484) 2.087 4.186 ( 5.225 0.364 -1.600) 5.477 4.602 ( 0.399 5.361 1.603) 5.610 4.715 ( -0.443 0.307 2.954) 3.003 4.809 ( 0.681 3.483 -0.246) 3.557 4.999 ( 1.263 -2.356 -1.507) 3.068 5.191 ( 0.285 0.133 2.925) 2.942 5.671 ( -0.607 -1.493 1.542) 2.231 5.766 ( -1.396 -3.549 1.987) 4.300 5.848 ( -0.546 0.229 1.173) 1.314 5.889 ( 1.828 -2.503 2.455) 3.955 6.042 ( 1.190 0.268 1.722) 2.110 6.239 ( -0.671 -0.118 -0.501) 0.845 6.362 ( -0.214 -2.426 1.182) 2.707 6.497 ( -2.773 0.031 -0.403) 2.802 6.791 ( 0.408 -1.771 -1.397) 2.292 6.884 ( -2.071 -0.901 1.735) 2.848 7.080 ( -6.589 0.348 -0.841) 6.651 7.121 ( -7.239 -1.508 -0.046) 7.394 7.892 ( 2.764 3.754 -0.750) 4.722 7.947 ( 4.936 0.343 -0.586) 4.982 8.062 ( 0.736 3.005 -4.301) 5.298 8.147 ( 1.836 -3.709 1.747) 4.492 8.395 ( 4.832 2.061 -4.902) 7.185 8.441 ( 3.671 3.947 2.266) 5.847 8.556 ( 1.084 4.353 -2.873) 5.327 8.695 ( -0.867 1.333 0.818) 1.788 8.819 ( 1.645 -4.801 -2.786) 5.790 8.978 ( -1.574 -1.753 1.681) 2.895 9.092 ( -1.580 -0.674 2.315) 2.882 9.268 ( -3.739 0.137 0.257) 3.750======================= Grid point 15 (10/75) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.571 ( 6.042 -12.654 -8.271) 16.280 1.640 ( 6.012 -11.161 -7.537) 14.749 2.205 ( 0.677 0.768 -2.261) 2.482 2.286 ( 1.259 4.179 5.423) 6.961 2.487 ( -0.316 0.746 2.821) 2.935 2.596 ( -1.835 -1.628 -4.291) 4.943 2.660 ( 0.091 3.572 1.423) 3.846 2.799 ( -1.974 -1.235 -2.328) 3.293 2.928 ( 3.848 -10.908 -8.983) 14.645 3.223 ( -1.575 3.587 -5.667) 6.889 3.377 ( 1.418 1.448 -0.395) 2.065 3.597 ( -0.680 0.432 0.291) 0.857 4.157 ( 4.509 0.290 -1.151) 4.663 4.545 ( 0.284 -9.002 -1.826) 9.190 4.792 ( 0.290 -1.205 2.351) 2.657 4.860 ( 0.020 0.759 4.180) 4.249 5.040 ( 0.232 6.985 2.121) 7.304 5.203 ( 0.667 -4.021 3.191) 5.176 5.667 ( -1.028 -0.581 2.721) 2.966 5.826 ( -1.927 1.426 2.380) 3.378 5.888 ( 2.521 -1.925 4.341) 5.376 5.913 ( -0.201 2.357 5.851) 6.311 6.074 ( 1.223 -1.059 3.433) 3.795 6.219 ( 0.135 -0.918 -1.414) 1.692 6.353 ( 0.595 -0.713 0.511) 1.060 6.515 ( -2.474 2.253 0.777) 3.436 6.715 ( -1.095 -1.121 -4.415) 4.685 6.896 ( -2.292 -0.423 0.881) 2.492 7.106 ( -4.799 2.886 0.124) 5.601 7.124 ( -7.658 1.695 0.650) 7.870 7.846 ( 3.146 -4.337 -3.406) 6.348 7.890 ( 4.454 -2.999 -4.380) 6.930 8.068 ( 0.850 1.541 -2.544) 3.093 8.148 ( 0.977 1.532 0.309) 1.843 8.311 ( 4.145 -2.259 -6.120) 7.729 8.458 ( 2.486 -6.537 -3.725) 7.924 8.510 ( 2.173 1.755 -0.151) 2.797 8.759 ( -1.363 5.582 1.589) 5.962 8.836 ( 2.257 8.419 -2.049) 8.954 8.987 ( -1.462 -0.516 2.087) 2.600 9.104 ( -0.983 -3.172 4.117) 5.289 9.314 ( -3.721 2.056 3.367) 5.424======================= Grid point 16 (11/75) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( 8.245 -17.215 -10.349) 21.713 1.320 ( 10.152 -16.281 -11.295) 22.265 2.128 ( 1.820 -9.535 -2.211) 9.956 2.283 ( 4.419 -15.604 -18.104) 24.305 2.440 ( -1.121 4.572 5.456) 7.206 2.551 ( 0.418 2.152 1.495) 2.653 2.676 ( -1.352 -2.196 -2.844) 3.840 2.762 ( 0.766 1.635 -0.830) 1.987 2.801 ( 0.325 0.029 1.133) 1.179 3.202 ( -3.703 5.372 -5.352) 8.439 3.395 ( 1.687 2.011 -0.431) 2.660 3.621 ( -0.422 1.297 1.380) 1.940 4.176 ( 3.261 1.177 1.369) 3.727 4.411 ( 0.584 -8.082 1.658) 8.271 4.732 ( 1.242 -5.369 -2.045) 5.878 4.932 ( -2.941 2.638 0.604) 3.996 5.143 ( 0.914 0.030 3.892) 3.998 5.188 ( 1.909 -3.261 2.755) 4.676 5.727 ( -2.173 0.382 4.663) 5.158 5.844 ( -1.170 -0.278 1.273) 1.751 5.921 ( 3.784 -1.305 4.784) 6.238 6.034 ( 0.284 0.259 4.240) 4.257 6.100 ( 1.570 -3.570 1.534) 4.191 6.193 ( 1.039 2.519 0.595) 2.789 6.350 ( 1.048 -0.900 0.799) 1.596 6.558 ( -2.926 3.625 -1.942) 5.046 6.710 ( -4.229 6.839 -0.261) 8.045 6.913 ( -1.441 1.217 1.648) 2.505 7.142 ( -6.942 3.555 -0.840) 7.845 7.174 ( -5.448 3.473 0.685) 6.497 7.726 ( 4.412 -6.473 -2.826) 8.328 7.777 ( 3.039 -4.216 -4.639) 6.966 7.970 ( 2.784 -8.249 -5.016) 10.048 8.148 ( 0.567 -0.022 -1.750) 1.840 8.214 ( 5.078 -2.080 -5.026) 7.441 8.365 ( -0.472 2.528 -3.834) 4.617 8.511 ( 1.776 -1.676 0.092) 2.443 8.865 ( -0.636 6.411 0.884) 6.503 8.911 ( 0.599 6.092 -1.476) 6.297 9.020 ( -2.233 1.892 0.871) 3.054 9.142 ( 2.242 -0.919 6.203) 6.659 9.386 ( -4.343 0.506 3.972) 5.907======================= Grid point 17 (12/75) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.846 ( 10.871 -19.977 -9.578) 24.678 0.934 ( 18.236 -18.126 -9.937) 27.566 1.575 ( 13.619 -37.862 -15.579) 43.148 2.122 ( 0.099 0.275 -2.946) 2.960 2.559 ( -1.691 3.899 3.099) 5.260 2.587 ( -0.504 1.823 0.448) 1.944 2.649 ( -1.312 -0.209 0.225) 1.347 2.745 ( 0.995 0.314 -1.839) 2.115 2.811 ( 1.030 -1.006 -0.825) 1.659 3.247 ( -5.005 7.491 -1.335) 9.107 3.410 ( 0.979 0.636 -0.307) 1.207 3.667 ( -0.173 1.345 2.499) 2.843 4.192 ( 0.218 -0.706 0.416) 0.848 4.414 ( 5.260 0.064 6.707) 8.524 4.622 ( -0.933 -8.203 0.246) 8.259 4.940 ( -4.377 3.273 -4.969) 7.387 5.135 ( 4.407 -5.270 2.205) 7.215 5.184 ( 0.988 -2.156 -0.026) 2.372 5.753 ( -1.428 -2.231 1.229) 2.921 5.872 ( 2.226 -2.199 2.194) 3.821 5.969 ( 5.606 0.757 2.364) 6.131 6.034 ( 0.206 -2.273 1.441) 2.700 6.060 ( -0.485 -3.354 3.576) 4.927 6.278 ( -0.570 4.365 1.059) 4.528 6.347 ( 2.332 -1.101 0.182) 2.585 6.553 ( -9.575 4.333 -6.606) 12.413 6.865 ( -1.279 11.885 2.200) 12.154 6.976 ( -0.310 3.162 2.696) 4.167 7.172 ( -9.939 1.219 -0.236) 10.017 7.231 ( -4.697 5.818 -1.149) 7.565 7.614 ( 4.839 -4.684 -1.812) 6.974 7.660 ( 1.624 -5.996 -2.257) 6.609 7.779 ( 5.689 -9.607 -3.685) 11.758 8.077 ( 5.786 -4.776 -4.047) 8.524 8.145 ( 1.321 -0.197 -1.575) 2.065 8.384 ( -3.296 6.838 -4.390) 8.769 8.480 ( 2.065 -3.050 0.520) 3.720 8.915 ( -0.348 3.006 -1.948) 3.599 8.992 ( -0.880 4.775 1.521) 5.088 9.049 ( -2.642 0.192 1.234) 2.922 9.240 ( 5.308 4.321 4.435) 8.156 9.422 ( -5.743 -2.390 3.044) 6.925======================= Grid point 18 (13/75) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 18.191 -18.191 0.000) 25.726 0.600 ( 21.622 -21.622 0.000) 30.579 0.922 ( 33.155 -33.155 0.000) 46.889 2.107 ( -0.185 0.185 -0.000) 0.262 2.606 ( -1.437 1.437 -0.000) 2.032 2.635 ( -2.033 2.033 -0.000) 2.875 2.654 ( -0.900 0.900 -0.000) 1.273 2.730 ( 0.789 -0.789 0.000) 1.116 2.778 ( 1.473 -1.473 0.000) 2.084 3.331 ( -5.125 5.125 -0.000) 7.248 3.408 ( 0.314 -0.314 0.000) 0.443 3.705 ( -0.830 0.830 -0.000) 1.173 4.187 ( -0.225 0.225 -0.000) 0.318 4.491 ( 3.434 -3.434 0.000) 4.857 4.592 ( -1.313 1.313 -0.000) 1.856 4.910 ( -3.597 3.597 -0.000) 5.087 5.081 ( 4.870 -4.870 0.000) 6.887 5.125 ( 3.739 -3.739 0.000) 5.288 5.734 ( 1.138 -1.138 0.000) 1.609 5.816 ( 4.449 -4.449 0.000) 6.291 6.012 ( 1.391 -1.391 0.000) 1.967 6.035 ( 0.734 -0.734 0.000) 1.038 6.090 ( -2.742 2.742 -0.000) 3.878 6.301 ( 3.162 -3.162 0.000) 4.472 6.330 ( -1.738 1.738 -0.000) 2.458 6.529 ( -5.031 5.031 -0.000) 7.115 7.008 ( -2.550 2.550 -0.000) 3.606 7.058 ( -4.838 4.838 -0.000) 6.841 7.169 ( -2.890 2.890 -0.000) 4.087 7.318 ( -7.611 7.611 -0.000) 10.764 7.551 ( 5.810 -5.810 0.000) 8.217 7.575 ( 2.161 -2.161 0.000) 3.056 7.638 ( 5.240 -5.240 0.000) 7.410 7.964 ( 7.861 -7.861 0.000) 11.116 8.136 ( -0.431 0.431 -0.000) 0.610 8.427 ( -4.597 4.597 -0.000) 6.501 8.448 ( 2.189 -2.189 0.000) 3.096 8.923 ( -0.828 0.828 -0.000) 1.171 9.052 ( -2.360 2.360 -0.000) 3.338 9.058 ( 0.122 -0.122 0.000) 0.173 9.348 ( -0.775 0.775 -0.000) 1.097 9.407 ( -1.187 1.187 -0.000) 1.678======================= Grid point 21 (14/75) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.502 ( 7.804 7.804 11.720) 16.099 1.623 ( 10.161 10.161 12.215) 18.859 2.146 ( 6.114 6.114 3.138) 9.198 2.311 ( -1.893 -1.893 -5.023) 5.691 2.533 ( -1.835 -1.835 -5.386) 5.979 2.565 ( -1.584 -1.584 1.164) 2.524 2.681 ( -0.320 -0.320 -2.900) 2.935 2.843 ( -3.015 -3.015 8.305) 9.336 2.957 ( 5.837 5.837 14.233) 16.454 3.292 ( -1.078 -1.078 -2.025) 2.535 3.380 ( 0.677 0.677 -3.785) 3.904 3.633 ( -2.077 -2.077 2.338) 3.754 4.251 ( 6.205 6.205 0.278) 8.779 4.262 ( 5.368 5.368 1.331) 7.707 4.778 ( 0.223 0.223 0.293) 0.430 4.799 ( -2.037 -2.037 -7.388) 7.930 5.081 ( 2.823 2.823 1.457) 4.250 5.098 ( 2.837 2.837 -1.767) 4.384 5.678 ( -1.911 -1.911 1.198) 2.956 5.809 ( 0.193 0.193 -2.725) 2.739 5.831 ( -0.252 -0.252 2.061) 2.091 5.980 ( -0.151 -0.151 -0.093) 0.232 6.076 ( -4.005 -4.005 -0.258) 5.670 6.256 ( -0.265 -0.265 -0.507) 0.630 6.374 ( 1.530 1.530 3.771) 4.348 6.577 ( -6.176 -6.176 -5.274) 10.203 6.726 ( -4.785 -4.785 6.377) 9.298 6.967 ( -4.388 -4.388 0.939) 6.276 7.040 ( -4.973 -4.973 -0.986) 7.101 7.130 ( -4.655 -4.655 -2.259) 6.960 7.773 ( 7.068 7.068 3.146) 10.478 7.920 ( 0.878 0.878 2.368) 2.674 8.058 ( 5.986 5.986 -0.206) 8.468 8.168 ( 4.224 4.224 0.762) 6.022 8.397 ( 2.079 2.079 -2.569) 3.904 8.410 ( 2.307 2.307 3.828) 5.030 8.456 ( 4.331 4.331 -1.380) 6.279 8.662 ( 2.232 2.232 -7.422) 8.065 8.982 ( -2.543 -2.543 1.557) 3.919 8.993 ( -2.142 -2.142 0.044) 3.030 9.203 ( -3.188 -3.188 -3.911) 5.969 9.204 ( -3.247 -3.247 -0.016) 4.592======================= Grid point 22 (15/75) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( 5.544 6.266 6.573) 10.640 1.857 ( 7.357 3.923 6.193) 10.386 2.212 ( 4.925 -1.126 -2.440) 5.610 2.280 ( 0.966 3.462 2.730) 4.514 2.425 ( -0.864 -1.436 -4.434) 4.740 2.537 ( -3.483 -0.977 -2.077) 4.171 2.648 ( -1.954 -0.473 -1.419) 2.461 2.839 ( -3.811 -4.152 1.196) 5.761 3.162 ( 3.566 1.120 3.711) 5.267 3.236 ( 0.415 1.326 -6.010) 6.169 3.352 ( 1.321 1.724 -1.048) 2.412 3.621 ( -2.369 -3.383 1.302) 4.330 4.290 ( 11.773 1.066 0.026) 11.821 4.463 ( 1.269 14.719 2.514) 14.986 4.706 ( -1.206 -0.718 -0.819) 1.625 4.773 ( -0.616 0.737 -1.279) 1.600 5.087 ( 3.922 -2.893 0.508) 4.900 5.170 ( -0.172 3.027 3.577) 4.689 5.689 ( 0.213 -1.129 2.875) 3.096 5.779 ( -2.766 -2.191 0.171) 3.533 5.845 ( -2.943 -3.076 2.547) 4.961 5.964 ( 0.783 -5.292 3.059) 6.162 6.033 ( -2.906 0.043 1.672) 3.353 6.249 ( 2.335 0.613 -0.947) 2.593 6.404 ( -1.468 -5.633 0.468) 5.840 6.460 ( -3.729 -0.744 0.520) 3.838 6.785 ( -2.277 0.720 3.498) 4.235 6.902 ( -0.703 -4.933 0.992) 5.081 6.984 ( -7.484 -2.005 -2.111) 8.030 7.048 ( -7.654 -3.189 -1.132) 8.369 7.891 ( 5.525 4.265 0.711) 7.016 7.944 ( 0.514 3.955 -0.977) 4.106 8.084 ( 7.454 3.431 -5.104) 9.663 8.225 ( 3.435 0.192 1.051) 3.597 8.401 ( 2.403 3.739 -2.405) 5.054 8.455 ( 4.672 4.140 -4.074) 7.454 8.508 ( 4.494 3.876 0.987) 6.016 8.642 ( 0.027 5.153 -2.711) 5.823 8.931 ( -0.166 -6.614 -1.662) 6.822 8.980 ( -2.627 -2.201 1.650) 3.804 9.097 ( -0.795 -4.162 1.747) 4.583 9.198 ( -6.423 -0.154 0.184) 6.428======================= Grid point 23 (16/75) =======================q-point: (-0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.799 ( 7.422 -4.401 -0.723) 8.659 1.844 ( 6.476 -6.621 -3.170) 9.789 2.198 ( 4.296 2.395 -1.403) 5.115 2.298 ( 1.686 -1.834 0.507) 2.542 2.445 ( -2.140 4.182 1.801) 5.031 2.532 ( -3.599 2.804 0.316) 4.574 2.624 ( -1.954 0.341 -1.396) 2.426 2.791 ( -2.289 -1.863 -1.576) 3.346 3.102 ( 2.837 -6.016 -5.452) 8.600 3.171 ( -0.117 1.997 -7.272) 7.542 3.378 ( 1.856 1.744 -0.287) 2.563 3.588 ( -2.197 -1.983 -0.034) 2.960 4.263 ( 11.114 -0.680 -2.750) 11.469 4.614 ( 0.241 1.706 -0.352) 1.759 4.754 ( -1.627 2.669 1.857) 3.636 4.829 ( 0.753 8.134 3.037) 8.715 5.029 ( 2.441 -6.113 1.407) 6.731 5.236 ( -1.070 -0.868 3.644) 3.896 5.689 ( -0.060 -3.326 2.653) 4.254 5.782 ( -3.832 -1.029 3.491) 5.284 5.870 ( -3.002 0.444 6.058) 6.776 5.961 ( 1.715 -3.663 4.581) 6.111 6.088 ( -0.774 0.407 4.302) 4.390 6.243 ( 2.838 0.413 -0.786) 2.974 6.351 ( -3.417 -1.620 1.345) 4.014 6.483 ( -0.217 -1.286 2.762) 3.055 6.749 ( -0.293 -4.140 -4.311) 5.984 6.878 ( -2.492 -2.625 0.736) 3.694 6.972 ( -7.313 3.495 0.465) 8.119 7.018 ( -7.608 -1.018 0.569) 7.697 7.893 ( 2.846 1.542 -3.999) 5.145 7.996 ( 3.791 1.076 -2.032) 4.434 8.044 ( 4.983 3.447 -4.208) 7.377 8.197 ( 4.299 -3.132 -0.843) 5.385 8.368 ( 2.157 0.791 -5.640) 6.090 8.471 ( 3.203 4.239 -4.405) 6.902 8.585 ( 5.384 5.604 -0.324) 7.778 8.678 ( -1.314 1.920 -1.029) 2.544 8.801 ( 1.793 -2.165 -3.647) 4.605 8.974 ( -3.111 -1.640 1.345) 3.765 9.122 ( -1.438 -1.955 5.772) 6.262 9.228 ( -5.266 0.940 3.843) 6.587======================= Grid point 24 (17/75) =======================q-point: (-0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( 9.648 -15.835 -5.619) 19.375 1.671 ( 12.476 -11.256 -5.987) 17.838 2.167 ( 0.569 0.262 -4.453) 4.497 2.352 ( -0.454 4.168 3.107) 5.219 2.504 ( -1.138 -1.912 -1.858) 2.899 2.521 ( -1.243 0.288 -1.196) 1.749 2.673 ( 0.005 3.012 1.813) 3.516 2.763 ( -0.430 0.402 -0.864) 1.046 2.879 ( 3.039 -11.738 -5.560) 13.339 3.100 ( -2.188 2.682 -7.625) 8.374 3.393 ( 2.236 2.140 -0.824) 3.203 3.585 ( -2.323 1.128 0.500) 2.630 4.241 ( 8.976 0.690 -0.343) 9.009 4.540 ( 1.591 -8.163 -0.362) 8.325 4.798 ( -1.209 0.889 -0.972) 1.788 4.885 ( -0.361 -4.066 0.609) 4.127 5.074 ( -0.831 8.469 2.156) 8.778 5.252 ( -0.815 -2.885 2.821) 4.116 5.717 ( -0.349 -1.880 6.108) 6.400 5.812 ( -2.770 0.370 1.674) 3.258 5.958 ( -2.930 -1.057 4.294) 5.305 6.025 ( 1.760 1.087 8.371) 8.623 6.142 ( 1.615 0.038 3.814) 4.142 6.241 ( 3.494 -1.718 1.007) 4.022 6.375 ( 0.862 0.567 0.995) 1.433 6.502 ( -1.926 0.072 2.386) 3.067 6.619 ( -3.421 -4.192 -4.812) 7.241 6.877 ( -2.359 0.732 1.665) 2.979 7.015 ( -7.085 1.351 0.251) 7.217 7.046 ( -5.172 3.953 0.209) 6.513 7.834 ( 3.843 -0.804 -5.586) 6.827 7.907 ( 5.911 -5.400 -3.638) 8.794 8.053 ( 0.906 1.412 -2.547) 3.050 8.153 ( 3.027 -0.123 -2.052) 3.659 8.296 ( 3.375 -0.806 -4.573) 5.741 8.392 ( 1.028 -4.550 -6.404) 7.923 8.583 ( 4.728 -2.734 0.657) 5.501 8.738 ( 0.718 10.087 -2.433) 10.401 8.821 ( -0.632 7.690 -2.202) 8.024 8.972 ( -4.278 -0.679 0.621) 4.375 9.184 ( 0.935 -1.499 6.964) 7.184 9.308 ( -4.920 0.939 4.941) 7.036======================= Grid point 25 (18/75) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 12.733 -18.787 -5.345) 23.316 1.412 ( 17.879 -14.975 -4.900) 23.831 2.117 ( 0.506 -0.217 -3.413) 3.458 2.207 ( 12.729 -23.766 -7.911) 28.097 2.473 ( -2.974 3.858 3.456) 5.973 2.544 ( -2.071 2.158 -1.121) 3.194 2.655 ( 1.319 -2.453 -0.055) 2.786 2.738 ( -0.342 1.362 -1.971) 2.420 2.838 ( 0.817 0.037 2.115) 2.268 3.067 ( -5.887 6.052 -4.294) 9.472 3.413 ( 1.641 1.596 -0.442) 2.332 3.624 ( -2.365 2.556 1.310) 3.721 4.241 ( 5.186 -1.456 -0.383) 5.400 4.476 ( 2.950 -2.539 4.091) 5.647 4.732 ( 1.463 -7.448 -0.770) 7.629 4.844 ( -4.517 1.619 -4.224) 6.393 5.191 ( 0.573 3.907 1.251) 4.142 5.239 ( 0.293 -3.240 1.568) 3.611 5.758 ( -1.176 -2.114 2.909) 3.783 5.864 ( -0.819 2.305 3.732) 4.462 6.007 ( -1.837 1.355 2.627) 3.481 6.098 ( 4.231 -2.338 3.418) 5.920 6.175 ( 6.188 -5.785 1.478) 8.599 6.229 ( 0.971 0.748 1.747) 2.134 6.371 ( -1.130 -0.699 -0.153) 1.337 6.484 ( 0.137 -3.581 -1.928) 4.070 6.631 ( -9.112 9.863 0.999) 13.464 6.937 ( -0.685 1.995 3.745) 4.298 7.042 ( -5.899 2.232 0.225) 6.312 7.094 ( -5.486 4.369 -1.687) 7.213 7.735 ( 5.322 -2.497 -4.673) 7.510 7.782 ( 3.755 -6.608 -2.480) 7.995 8.001 ( 5.618 -7.966 1.118) 9.812 8.119 ( 1.785 -1.124 -2.340) 3.150 8.240 ( 0.419 1.983 -4.192) 4.657 8.260 ( 0.903 -1.059 -5.228) 5.410 8.557 ( 3.332 -2.555 0.367) 4.215 8.837 ( 0.780 8.475 -2.326) 8.823 8.902 ( -2.431 5.646 -0.146) 6.149 8.980 ( -5.184 1.384 0.455) 5.385 9.264 ( 3.357 1.542 4.678) 5.961 9.365 ( -5.530 -1.232 3.350) 6.581======================= Grid point 26 (19/75) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.977 ( 17.538 -17.538 0.000) 24.803 1.151 ( 18.925 -18.925 0.000) 26.764 1.755 ( 27.670 -27.670 0.000) 39.132 2.104 ( 0.049 -0.049 0.000) 0.069 2.551 ( -2.806 2.806 -0.000) 3.968 2.566 ( -2.760 2.760 -0.000) 3.903 2.640 ( 0.141 -0.141 0.000) 0.199 2.739 ( -0.357 0.357 -0.000) 0.505 2.828 ( 2.109 -2.109 0.000) 2.983 3.146 ( -8.006 8.006 -0.000) 11.322 3.418 ( 0.342 -0.342 0.000) 0.483 3.670 ( -2.070 2.070 -0.000) 2.928 4.205 ( 2.116 -2.116 0.000) 2.992 4.547 ( -1.489 1.489 -0.000) 2.106 4.615 ( 5.359 -5.359 0.000) 7.579 4.828 ( -2.579 2.579 -0.000) 3.647 5.204 ( 1.693 -1.693 0.000) 2.394 5.210 ( 3.536 -3.536 0.000) 5.001 5.755 ( 0.517 -0.517 0.000) 0.731 5.922 ( 0.046 -0.046 0.000) 0.065 6.043 ( -0.715 0.715 -0.000) 1.011 6.079 ( 3.708 -3.708 0.000) 5.244 6.087 ( 5.570 -5.570 0.000) 7.878 6.268 ( -2.415 2.415 -0.000) 3.416 6.363 ( -0.709 0.709 -0.000) 1.002 6.434 ( 0.923 -0.923 0.000) 1.306 6.795 ( -11.097 11.097 -0.000) 15.693 6.991 ( -0.989 0.989 -0.000) 1.398 7.084 ( -3.510 3.510 -0.000) 4.964 7.138 ( -5.739 5.739 -0.000) 8.116 7.671 ( 4.103 -4.103 0.000) 5.802 7.671 ( 4.622 -4.622 0.000) 6.537 7.875 ( 10.301 -10.301 0.000) 14.568 8.083 ( 1.029 -1.029 0.000) 1.455 8.193 ( 4.636 -4.636 0.000) 6.556 8.272 ( -6.440 6.440 -0.000) 9.108 8.522 ( 2.992 -2.992 0.000) 4.232 8.888 ( -1.845 1.845 -0.000) 2.609 8.964 ( -3.936 3.936 -0.000) 5.566 9.021 ( -3.154 3.154 -0.000) 4.460 9.337 ( 0.040 -0.040 0.000) 0.057 9.365 ( -1.782 1.782 -0.000) 2.519======================= Grid point 31 (20/75) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 4.519 4.519 3.449) 7.263 1.952 ( 1.022 1.022 -0.109) 1.450 2.277 ( 3.250 3.250 -3.349) 5.687 2.289 ( 0.464 0.464 -2.552) 2.635 2.380 ( 0.348 0.348 1.636) 1.709 2.474 ( -2.084 -2.084 0.133) 2.950 2.607 ( -1.191 -1.191 -0.276) 1.707 2.788 ( -2.402 -2.402 -1.922) 3.903 3.147 ( 1.428 1.428 -8.572) 8.807 3.171 ( -0.934 -0.934 -3.238) 3.497 3.379 ( 2.135 2.135 0.117) 3.021 3.588 ( -3.345 -3.345 -0.340) 4.743 4.459 ( 6.465 6.465 -0.414) 9.153 4.468 ( 6.930 6.930 -3.659) 10.462 4.747 ( 1.490 1.490 5.449) 5.843 4.761 ( 0.402 0.402 -0.124) 0.582 5.134 ( -1.319 -1.319 1.902) 2.665 5.208 ( -1.540 -1.540 3.249) 3.911 5.731 ( -0.556 -0.556 1.938) 2.091 5.750 ( -4.222 -4.222 3.857) 7.108 5.837 ( -4.162 -4.162 6.021) 8.420 6.029 ( 0.462 0.462 4.518) 4.565 6.047 ( -1.885 -1.885 4.777) 5.470 6.252 ( -0.596 -0.596 -0.943) 1.265 6.352 ( -1.169 -1.169 1.105) 1.988 6.496 ( -0.216 -0.216 4.419) 4.429 6.801 ( -1.083 -1.083 -0.784) 1.721 6.859 ( -3.844 -3.844 -2.987) 6.203 6.903 ( -3.302 -3.302 2.111) 5.124 6.955 ( -3.359 -3.359 0.229) 4.756 7.907 ( 2.653 2.653 -4.327) 5.727 7.969 ( 3.789 3.789 -1.477) 5.558 8.107 ( 5.101 5.101 -4.761) 8.643 8.251 ( 0.795 0.795 -2.378) 2.630 8.376 ( 2.288 2.288 -3.987) 5.135 8.467 ( 4.658 4.658 -4.197) 7.811 8.562 ( 3.243 3.243 -1.321) 4.773 8.633 ( 4.394 4.394 -2.534) 6.711 8.897 ( -3.342 -3.342 -2.031) 5.144 8.934 ( -3.566 -3.566 -1.495) 5.260 9.126 ( -1.635 -1.635 6.398) 6.803 9.176 ( -2.198 -2.198 5.082) 5.957======================= Grid point 32 (21/75) =======================q-point: (-0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( 7.261 -8.984 -1.022) 11.597 1.913 ( 7.627 -2.735 -0.745) 8.136 2.176 ( 1.287 -1.200 -6.620) 6.850 2.278 ( -4.692 3.797 -2.732) 6.625 2.435 ( -0.960 2.782 0.439) 2.975 2.491 ( -2.818 0.630 1.244) 3.144 2.641 ( 1.483 2.467 3.705) 4.692 2.740 ( -1.011 0.385 -2.581) 2.799 3.036 ( 0.823 -3.239 -7.076) 7.826 3.083 ( -0.323 -2.586 -5.109) 5.735 3.402 ( 2.411 1.417 -0.245) 2.807 3.540 ( -3.575 -1.129 -1.175) 3.929 4.408 ( 13.945 -1.780 -1.757) 14.167 4.599 ( -1.399 5.859 -0.915) 6.092 4.750 ( 2.367 -0.650 -0.676) 2.546 4.873 ( -0.827 9.050 1.961) 9.297 5.063 ( 0.165 -10.343 0.404) 10.352 5.219 ( -7.778 -0.828 0.971) 7.882 5.753 ( -0.066 -1.733 5.981) 6.227 5.784 ( -1.650 -1.663 5.347) 5.838 5.909 ( -3.339 -0.595 5.933) 6.834 6.035 ( -2.229 -1.970 2.959) 4.196 6.133 ( 0.462 2.740 4.799) 5.546 6.265 ( -0.187 0.592 2.132) 2.221 6.383 ( 2.327 -0.789 3.795) 4.521 6.536 ( 0.083 -2.332 3.037) 3.830 6.690 ( 1.022 -7.397 -3.471) 8.235 6.816 ( -6.416 0.542 -0.160) 6.441 6.922 ( -2.411 0.542 1.576) 2.931 6.953 ( -3.194 1.567 0.756) 3.637 7.875 ( 3.998 1.550 -5.169) 6.716 7.979 ( -0.571 4.354 -4.173) 6.058 8.066 ( 7.324 -2.280 -4.796) 9.047 8.216 ( 0.029 1.349 -3.098) 3.379 8.337 ( 4.907 -1.070 -3.409) 6.070 8.452 ( 2.438 0.127 -3.824) 4.537 8.615 ( 0.890 8.501 -2.046) 8.789 8.663 ( 2.811 3.846 -2.093) 5.204 8.776 ( 1.273 -5.528 -2.536) 6.214 8.903 ( -7.288 -0.133 -1.089) 7.370 9.207 ( 0.411 -0.820 6.967) 7.027 9.246 ( -2.635 0.292 6.188) 6.732======================= Grid point 33 (22/75) =======================q-point: (-0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.682 ( 12.732 -16.099 -2.354) 20.659 1.793 ( 12.577 -10.316 -2.313) 16.430 2.110 ( -0.136 1.402 -3.907) 4.154 2.342 ( -6.743 6.502 0.666) 9.390 2.456 ( 1.227 0.784 -1.694) 2.234 2.497 ( -2.151 -1.607 0.556) 2.742 2.694 ( -0.397 1.616 -1.082) 1.985 2.764 ( -0.220 3.883 1.387) 4.129 2.859 ( 3.571 -10.437 -2.889) 11.403 2.997 ( 0.156 -0.727 -4.152) 4.218 3.413 ( 1.831 1.348 -0.509) 2.330 3.543 ( -4.294 2.364 0.024) 4.902 4.371 ( 10.558 -1.967 -0.811) 10.770 4.588 ( 4.189 -5.504 1.678) 7.118 4.743 ( -2.245 2.859 -2.535) 4.431 4.887 ( 1.094 -10.055 -0.642) 10.134 5.069 ( -1.750 12.167 0.297) 12.296 5.213 ( -8.538 -1.017 0.371) 8.606 5.805 ( 1.985 -3.715 3.184) 5.280 5.835 ( 0.616 0.740 4.886) 4.980 5.933 ( -5.307 0.025 1.858) 5.623 6.133 ( -2.891 2.486 6.822) 7.815 6.225 ( 4.649 3.165 2.259) 6.061 6.287 ( 0.898 0.368 -0.379) 1.042 6.411 ( -0.336 -1.325 2.580) 2.920 6.488 ( -1.136 -6.189 -1.600) 6.493 6.571 ( 3.514 -5.156 -0.055) 6.240 6.871 ( -4.485 3.600 3.151) 6.558 6.949 ( -3.959 1.141 1.278) 4.314 6.991 ( -1.630 3.029 -0.947) 3.568 7.807 ( 3.280 -0.597 -4.866) 5.899 7.937 ( 5.536 -5.892 -4.539) 9.272 8.007 ( -2.336 5.391 -1.165) 5.990 8.203 ( 3.550 -1.858 0.195) 4.012 8.272 ( 3.890 -0.277 -3.952) 5.552 8.343 ( 2.763 -7.882 -3.814) 9.182 8.639 ( 3.309 -2.500 -0.145) 4.150 8.728 ( 0.842 9.187 -1.743) 9.388 8.766 ( -2.959 7.013 -1.321) 7.725 8.889 ( -7.603 -0.349 -0.377) 7.620 9.280 ( 1.388 0.589 3.941) 4.220 9.321 ( -2.560 -0.360 4.257) 4.981======================= Grid point 34 (23/75) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.436 ( 16.450 -16.450 0.000) 23.264 1.607 ( 14.610 -14.610 0.000) 20.661 2.094 ( -0.111 0.111 -0.000) 0.157 2.351 ( 13.185 -13.185 0.000) 18.647 2.440 ( -5.929 5.929 -0.000) 8.384 2.499 ( -1.972 1.972 -0.000) 2.790 2.703 ( 5.295 -5.295 0.000) 7.488 2.708 ( -0.874 0.874 -0.000) 1.236 2.854 ( -2.729 2.729 -0.000) 3.859 2.966 ( -2.297 2.297 -0.000) 3.249 3.422 ( -0.065 0.065 -0.000) 0.092 3.589 ( -3.773 3.773 -0.000) 5.335 4.312 ( 5.605 -5.605 0.000) 7.926 4.553 ( 2.688 -2.688 0.000) 3.802 4.758 ( -2.823 2.823 -0.000) 3.993 4.766 ( 5.669 -5.669 0.000) 8.018 5.194 ( -2.620 2.620 -0.000) 3.706 5.219 ( -3.502 3.502 -0.000) 4.952 5.780 ( 1.941 -1.941 0.000) 2.745 5.883 ( -1.109 1.109 -0.000) 1.568 5.979 ( -3.546 3.546 -0.000) 5.015 6.208 ( 5.357 -5.357 0.000) 7.576 6.222 ( -1.416 1.416 -0.000) 2.002 6.272 ( 2.959 -2.959 0.000) 4.185 6.369 ( 5.245 -5.245 0.000) 7.418 6.498 ( -9.664 9.664 -0.000) 13.667 6.518 ( 3.673 -3.673 0.000) 5.195 6.960 ( -3.213 3.213 -0.000) 4.544 6.987 ( -3.300 3.300 -0.000) 4.667 7.006 ( -2.612 2.612 -0.000) 3.693 7.757 ( 2.032 -2.032 0.000) 2.873 7.818 ( 6.034 -6.034 0.000) 8.534 8.090 ( -5.337 5.337 -0.000) 7.547 8.151 ( 4.645 -4.645 0.000) 6.570 8.157 ( 8.853 -8.853 0.000) 12.520 8.269 ( 0.388 -0.388 0.000) 0.549 8.602 ( 2.960 -2.960 0.000) 4.187 8.813 ( -4.057 4.057 -0.000) 5.737 8.849 ( -4.563 4.563 -0.000) 6.453 8.905 ( -4.669 4.669 -0.000) 6.603 9.324 ( -0.987 0.987 -0.000) 1.396 9.341 ( 0.078 -0.078 0.000) 0.110======================= Grid point 42 (24/75) =======================q-point: (-0.56 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.966 ( 1.159 1.159 1.578) 2.276 1.989 ( 0.375 0.375 1.957) 2.027 2.100 ( -0.314 -0.314 -5.965) 5.981 2.128 ( -1.485 -1.485 -5.981) 6.339 2.454 ( 1.088 1.088 1.532) 2.171 2.482 ( -0.816 -0.816 0.681) 1.339 2.695 ( 0.935 0.935 0.078) 1.324 2.699 ( 0.446 0.446 -2.239) 2.326 2.981 ( 0.263 0.263 -1.942) 1.978 3.013 ( -2.023 -2.023 -2.645) 3.896 3.433 ( 1.206 1.206 0.539) 1.788 3.474 ( -1.762 -1.762 -1.893) 3.130 4.548 ( 2.969 2.969 -0.589) 4.240 4.556 ( 2.375 2.375 -1.066) 3.524 4.832 ( 4.164 4.164 0.626) 5.922 4.856 ( 3.211 3.211 -0.876) 4.625 5.052 ( -5.989 -5.989 0.163) 8.471 5.072 ( -6.790 -6.790 -1.396) 9.703 5.827 ( 0.663 0.663 4.581) 4.676 5.857 ( -1.263 -1.263 4.207) 4.570 5.970 ( -0.202 -0.202 4.557) 4.566 5.991 ( -1.981 -1.981 1.618) 3.235 6.232 ( 2.694 2.694 4.086) 5.587 6.285 ( 0.051 0.051 0.280) 0.289 6.454 ( 0.194 0.194 2.842) 2.855 6.518 ( -3.366 -3.366 -1.358) 4.950 6.719 ( -0.443 -0.443 1.650) 1.765 6.736 ( -1.596 -1.596 0.801) 2.396 6.938 ( 0.151 0.151 1.051) 1.073 6.940 ( 0.068 0.068 1.305) 1.308 7.866 ( 2.315 2.315 -3.799) 5.015 7.893 ( 0.416 0.416 -5.537) 5.568 8.103 ( 1.655 1.655 -1.980) 3.066 8.130 ( -0.458 -0.458 -3.751) 3.806 8.387 ( 1.989 1.989 -0.012) 2.813 8.424 ( -0.272 -0.272 -2.356) 2.387 8.620 ( 4.015 4.015 -0.807) 5.736 8.661 ( 2.790 2.790 -3.537) 5.299 8.765 ( -2.784 -2.784 0.358) 3.953 8.791 ( -3.201 -3.201 -1.461) 4.757 9.294 ( 0.177 0.177 4.363) 4.370 9.299 ( -0.186 -0.186 3.944) 3.953======================= Grid point 44 (25/75) =======================q-point: (-0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.857 ( 14.537 -14.537 0.000) 20.559 1.923 ( 8.481 -8.481 0.000) 11.994 2.066 ( -2.416 2.416 -0.000) 3.416 2.210 ( -11.061 11.061 -0.000) 15.642 2.472 ( 0.102 -0.102 0.000) 0.145 2.487 ( 0.147 -0.147 0.000) 0.208 2.672 ( 0.062 -0.062 0.000) 0.088 2.728 ( -3.939 3.939 -0.000) 5.571 2.924 ( 6.320 -6.320 0.000) 8.938 2.986 ( 0.782 -0.782 0.000) 1.105 3.425 ( 0.830 -0.830 0.000) 1.173 3.486 ( -3.457 3.457 -0.000) 4.889 4.482 ( 6.436 -6.436 0.000) 9.102 4.629 ( -3.237 3.237 -0.000) 4.578 4.749 ( 7.868 -7.868 0.000) 11.127 4.920 ( 5.826 -5.826 0.000) 8.239 5.024 ( -10.122 10.122 -0.000) 14.315 5.077 ( -5.538 5.538 -0.000) 7.832 5.847 ( 1.557 -1.557 0.000) 2.202 5.893 ( -2.414 2.414 -0.000) 3.414 5.918 ( 5.041 -5.041 0.000) 7.129 6.106 ( -7.494 7.494 -0.000) 10.599 6.282 ( 0.020 -0.020 0.000) 0.028 6.285 ( -0.137 0.137 -0.000) 0.194 6.422 ( 3.858 -3.858 0.000) 5.456 6.497 ( 0.325 -0.325 0.000) 0.459 6.644 ( 6.404 -6.404 0.000) 9.057 6.818 ( -6.078 6.078 -0.000) 8.595 6.938 ( 0.139 -0.139 0.000) 0.197 6.972 ( -1.463 1.463 -0.000) 2.069 7.810 ( 2.618 -2.618 0.000) 3.703 7.907 ( -3.559 3.559 -0.000) 5.033 8.021 ( 5.098 -5.098 0.000) 7.210 8.175 ( -4.701 4.701 -0.000) 6.648 8.342 ( 6.088 -6.088 0.000) 8.610 8.378 ( 5.421 -5.421 0.000) 7.667 8.671 ( 0.359 -0.359 0.000) 0.507 8.677 ( -4.444 4.444 -0.000) 6.285 8.734 ( -1.804 1.804 -0.000) 2.551 8.796 ( -3.527 3.527 -0.000) 4.987 9.318 ( 0.416 -0.416 0.000) 0.588 9.334 ( -0.575 0.575 -0.000) 0.813======================= Grid point 98 (26/75) =======================q-point: ( 0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.167 ( 13.501 13.501 11.782) 22.436 1.303 ( 15.652 15.652 10.193) 24.369 2.022 ( 15.818 15.818 9.596) 24.341 2.233 ( 4.325 4.325 15.230) 16.412 2.463 ( -2.989 -2.989 -5.373) 6.837 2.581 ( -1.297 -1.297 0.511) 1.904 2.644 ( 0.234 0.234 0.915) 0.973 2.783 ( -0.264 -0.264 3.203) 3.225 2.802 ( -0.367 -0.367 -3.598) 3.635 3.212 ( -5.242 -5.242 4.885) 8.878 3.425 ( 0.388 0.388 0.073) 0.553 3.627 ( -1.112 -1.112 -1.771) 2.368 4.223 ( 3.007 3.007 1.277) 4.440 4.345 ( 3.304 3.304 -7.299) 8.667 4.702 ( 3.446 3.446 4.760) 6.812 4.922 ( -3.287 -3.287 0.304) 4.659 5.143 ( 3.238 3.238 -4.197) 6.212 5.186 ( 1.795 1.795 -2.662) 3.678 5.705 ( -1.422 -1.422 -3.032) 3.638 5.837 ( -0.113 -0.113 -2.580) 2.585 5.948 ( 1.016 1.016 -6.279) 6.442 6.035 ( 0.763 0.763 -2.540) 2.759 6.078 ( 4.185 4.185 0.219) 5.922 6.259 ( -1.581 -1.581 -0.182) 2.243 6.341 ( 0.827 0.827 -1.590) 1.974 6.544 ( -4.651 -4.651 6.804) 9.463 6.728 ( -8.540 -8.540 -5.169) 13.137 6.944 ( -3.363 -3.363 -0.136) 4.757 7.065 ( -4.204 -4.204 -0.857) 6.007 7.173 ( -4.842 -4.842 -0.213) 6.851 7.714 ( 7.056 7.056 1.373) 10.072 7.768 ( 3.590 3.590 6.587) 8.317 7.933 ( 6.583 6.583 6.112) 11.137 8.152 ( 0.636 0.636 1.746) 1.964 8.241 ( 4.514 4.514 5.390) 8.354 8.388 ( -4.173 -4.173 3.592) 6.909 8.506 ( 3.505 3.505 -1.248) 5.112 8.906 ( 0.781 0.781 -4.404) 4.540 8.965 ( -3.370 -3.370 0.119) 4.768 8.984 ( -2.144 -2.144 -0.583) 3.087 9.222 ( -1.554 -1.554 -3.679) 4.285 9.313 ( -2.385 -2.385 -3.549) 4.896======================= Grid point 99 (27/75) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.495 ( 9.323 12.814 9.761) 18.611 1.624 ( 12.416 11.457 9.580) 19.422 2.187 ( 2.340 4.516 2.586) 5.706 2.346 ( -1.243 -3.308 -5.250) 6.328 2.507 ( 1.019 -0.099 2.924) 3.098 2.559 ( -0.397 -0.183 1.738) 1.793 2.703 ( -0.830 -3.123 -1.563) 3.590 2.740 ( -1.551 2.727 2.483) 4.001 2.876 ( 4.942 6.309 10.378) 13.112 3.237 ( -2.366 -2.705 5.719) 6.754 3.414 ( 1.163 -0.752 -1.121) 1.782 3.595 ( -1.742 -1.569 -0.250) 2.357 4.253 ( 9.188 0.059 0.763) 9.220 4.404 ( 0.572 11.800 0.309) 11.817 4.786 ( 2.109 2.140 0.831) 3.118 4.856 ( -2.773 -1.975 -4.390) 5.556 5.111 ( 1.583 -1.392 -2.753) 3.467 5.171 ( 1.435 2.667 -3.117) 4.346 5.652 ( -2.034 -0.938 -1.589) 2.746 5.817 ( -0.769 -1.049 -0.497) 1.393 5.875 ( -0.532 1.043 -5.292) 5.420 5.975 ( -0.031 -3.994 -3.925) 5.600 6.070 ( -0.945 -0.097 -3.844) 3.960 6.243 ( 3.312 -0.535 1.153) 3.548 6.363 ( 2.006 1.404 0.666) 2.537 6.526 ( -4.422 -7.207 -2.485) 8.813 6.642 ( -6.546 2.108 4.818) 8.397 6.890 ( -0.714 -3.590 0.098) 3.661 7.021 ( -8.202 -1.368 -0.951) 8.370 7.097 ( -4.941 -4.530 -1.547) 6.880 7.835 ( 6.557 6.759 2.253) 9.683 7.896 ( 2.925 3.354 4.870) 6.597 8.088 ( 4.764 3.406 4.742) 7.535 8.185 ( 1.865 0.717 1.697) 2.622 8.348 ( 4.253 -0.087 4.475) 6.175 8.411 ( -0.410 3.343 4.231) 5.408 8.537 ( 3.618 3.098 -1.274) 4.930 8.818 ( 2.424 -1.219 -6.804) 7.325 8.926 ( -1.721 -2.940 0.887) 3.520 8.969 ( -3.940 -1.606 0.328) 4.268 9.110 ( 1.864 -5.941 -3.039) 6.928 9.255 ( -7.061 -0.112 -3.910) 8.072======================= Grid point 100 (28/75) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 6.738 8.034 4.908) 11.577 1.833 ( 8.432 3.505 4.533) 10.195 2.234 ( 3.939 -1.224 -1.454) 4.374 2.271 ( 2.032 0.190 0.272) 2.059 2.449 ( -0.389 -1.475 -2.274) 2.738 2.562 ( -2.860 -1.383 -1.687) 3.597 2.646 ( -3.391 -0.903 0.279) 3.520 2.777 ( -4.289 -0.334 1.100) 4.440 3.124 ( 5.726 4.434 7.551) 10.462 3.268 ( 0.027 -0.906 2.212) 2.390 3.385 ( 1.353 -0.226 -1.585) 2.096 3.577 ( -2.279 -0.969 0.147) 2.481 4.289 ( 10.859 1.092 2.445) 11.184 4.582 ( 1.181 8.089 2.544) 8.562 4.725 ( -0.833 -2.182 -4.892) 5.421 4.841 ( 1.632 4.235 -1.773) 4.872 5.027 ( 0.541 -6.427 -0.687) 6.487 5.181 ( 0.082 1.872 -0.791) 2.034 5.648 ( -0.486 0.683 1.288) 1.537 5.748 ( -2.805 -3.766 -3.401) 5.798 5.858 ( -1.654 2.150 -1.850) 3.284 5.874 ( 1.252 -3.345 -0.657) 3.632 6.038 ( -2.131 0.803 -1.680) 2.830 6.258 ( 4.206 0.397 0.725) 4.286 6.342 ( -2.668 -3.065 -0.821) 4.146 6.454 ( -3.278 -0.101 -0.683) 3.350 6.762 ( -1.443 3.515 4.831) 6.146 6.854 ( -1.489 -1.450 -0.892) 2.261 6.994 ( -8.184 -0.473 -1.231) 8.289 7.018 ( -6.879 -3.331 -1.061) 7.716 7.929 ( 3.524 2.243 1.434) 4.417 7.990 ( 3.260 3.979 1.627) 5.395 8.141 ( 4.121 -1.467 1.622) 4.666 8.175 ( 5.402 -1.671 -0.311) 5.663 8.425 ( 2.292 1.746 3.372) 4.435 8.537 ( 3.314 1.901 0.396) 3.841 8.564 ( 4.514 6.918 2.239) 8.558 8.718 ( 0.987 -3.380 -3.281) 4.813 8.868 ( 1.357 -5.459 -1.058) 5.724 8.942 ( -2.352 -1.017 -0.400) 2.594 9.046 ( -2.492 0.257 -0.719) 2.607 9.203 ( -7.203 -0.927 -1.908) 7.509======================= Grid point 105 (29/75) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.669 ( 24.570 -0.000 0.000) 24.570 0.700 ( 25.116 -0.000 0.000) 25.116 1.372 ( 46.912 -0.000 0.000) 46.912 2.104 ( -0.474 0.000 -0.000) 0.474 2.575 ( -3.113 0.000 -0.000) 3.113 2.609 ( -3.236 0.000 -0.000) 3.236 2.677 ( -0.017 0.000 -0.000) 0.017 2.717 ( -0.106 0.000 -0.000) 0.106 2.788 ( 1.602 -0.000 0.000) 1.602 3.276 ( -8.038 0.000 -0.000) 8.038 3.400 ( -1.002 0.000 -0.000) 1.002 3.687 ( -2.167 0.000 -0.000) 2.167 4.210 ( 0.189 -0.000 0.000) 0.189 4.378 ( -0.609 0.000 -0.000) 0.609 4.716 ( 5.150 -0.000 0.000) 5.150 4.902 ( -2.580 0.000 -0.000) 2.580 5.110 ( 6.667 -0.000 0.000) 6.667 5.172 ( 4.233 -0.000 0.000) 4.233 5.776 ( 4.011 -0.000 0.000) 4.011 5.850 ( 6.411 -0.000 0.000) 6.411 5.936 ( -3.328 0.000 -0.000) 3.328 6.046 ( 1.132 -0.000 0.000) 1.132 6.139 ( -0.832 0.000 -0.000) 0.832 6.282 ( 2.611 -0.000 0.000) 2.611 6.305 ( -2.444 0.000 -0.000) 2.444 6.587 ( -2.294 0.000 -0.000) 2.294 6.857 ( -10.284 0.000 -0.000) 10.284 7.009 ( -2.012 0.000 -0.000) 2.012 7.243 ( -10.213 0.000 -0.000) 10.213 7.275 ( -1.332 0.000 -0.000) 1.332 7.557 ( 2.500 -0.000 0.000) 2.500 7.651 ( 7.908 -0.000 0.000) 7.908 7.714 ( 12.517 -0.000 0.000) 12.517 7.977 ( 6.251 -0.000 0.000) 6.251 8.127 ( -0.608 0.000 -0.000) 0.608 8.372 ( -7.707 0.000 -0.000) 7.707 8.468 ( 2.885 -0.000 0.000) 2.885 8.896 ( -4.154 0.000 -0.000) 4.154 9.015 ( -5.126 0.000 -0.000) 5.126 9.071 ( -1.238 0.000 -0.000) 1.238 9.231 ( -1.906 0.000 -0.000) 1.906 9.497 ( 0.988 -0.000 0.000) 0.988======================= Grid point 108 (30/75) =======================q-point: ( 0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( 8.745 8.745 6.643) 14.039 1.876 ( 7.592 7.592 6.164) 12.380 2.260 ( 2.538 2.538 2.928) 4.632 2.286 ( 0.762 0.762 -1.913) 2.195 2.500 ( -0.718 -0.718 -5.560) 5.652 2.516 ( -1.801 -1.801 -1.184) 2.809 2.630 ( -3.458 -3.458 -1.902) 5.247 2.746 ( -3.892 -3.892 2.888) 6.216 3.133 ( 5.969 5.969 10.160) 13.209 3.275 ( -0.059 -0.059 1.603) 1.605 3.397 ( 0.798 0.798 -2.664) 2.893 3.568 ( -2.725 -2.725 0.670) 3.912 4.424 ( 6.270 6.270 2.884) 9.324 4.465 ( 9.450 9.450 3.697) 13.866 4.742 ( -2.097 -2.097 -6.241) 6.910 4.802 ( 1.851 1.851 -2.414) 3.562 5.121 ( -0.431 -0.431 1.472) 1.594 5.139 ( -0.370 -0.370 -1.990) 2.057 5.635 ( -1.770 -1.770 2.713) 3.692 5.767 ( -3.964 -3.964 -4.299) 7.064 5.816 ( 0.319 0.319 -1.001) 1.098 5.947 ( -1.319 -1.319 0.233) 1.880 5.981 ( -2.301 -2.301 -2.586) 4.156 6.288 ( 0.875 0.875 -0.122) 1.244 6.380 ( -6.146 -6.146 -3.215) 9.267 6.414 ( 1.811 1.811 1.388) 2.913 6.700 ( 1.553 1.553 6.342) 6.712 6.882 ( -2.489 -2.489 1.184) 3.713 6.918 ( -3.945 -3.945 -1.695) 5.832 6.998 ( -4.835 -4.835 -3.101) 7.508 7.951 ( 5.760 5.760 1.772) 8.336 7.963 ( 2.059 2.059 0.797) 3.019 8.186 ( 2.359 2.359 0.893) 3.454 8.246 ( 1.995 1.995 2.047) 3.486 8.426 ( 2.943 2.943 1.834) 4.548 8.496 ( 3.598 3.598 4.367) 6.705 8.576 ( 4.196 4.196 -1.044) 6.025 8.753 ( 2.546 2.546 -7.283) 8.124 8.915 ( -2.264 -2.264 1.972) 3.760 8.926 ( -2.683 -2.683 -0.207) 3.800 9.094 ( -4.313 -4.313 0.668) 6.136 9.101 ( -4.112 -4.112 -4.465) 7.332======================= Grid point 109 (31/75) =======================q-point: ( 0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.882 ( 6.349 2.880 1.814) 7.203 1.950 ( 5.090 -1.317 -0.526) 5.284 2.294 ( 4.521 0.353 -0.939) 4.631 2.332 ( 5.813 -0.231 1.360) 5.975 2.409 ( -1.372 1.546 -2.039) 2.904 2.491 ( -3.924 2.158 -1.968) 4.892 2.584 ( -4.579 -1.340 0.351) 4.784 2.729 ( -5.344 -3.279 2.233) 6.655 3.220 ( 3.704 -0.215 -3.577) 5.153 3.263 ( 0.837 1.111 -4.456) 4.668 3.399 ( 2.091 1.528 0.745) 2.695 3.542 ( -3.503 -2.090 0.748) 4.147 4.474 ( 13.254 -0.290 -1.206) 13.312 4.638 ( 2.385 3.759 -2.377) 5.047 4.693 ( 0.753 1.538 4.987) 5.273 4.835 ( 1.146 9.624 -1.415) 9.795 5.042 ( 1.143 -9.396 0.757) 9.495 5.166 ( -4.387 0.347 1.751) 4.737 5.655 ( -3.372 -3.021 1.161) 4.674 5.678 ( -4.807 -1.646 2.032) 5.472 5.817 ( 1.292 3.374 -1.502) 3.913 5.924 ( 2.178 -4.009 4.182) 6.189 6.003 ( -3.000 1.036 2.955) 4.336 6.227 ( -9.366 -2.786 -0.699) 9.797 6.350 ( 6.470 0.625 0.261) 6.505 6.453 ( 0.878 0.307 1.781) 2.009 6.788 ( -0.457 -0.730 -0.782) 1.164 6.836 ( -1.130 -2.419 1.162) 2.912 6.875 ( -6.782 0.107 -1.289) 6.904 6.926 ( -4.580 -0.765 0.456) 4.666 7.974 ( 3.488 1.102 -1.554) 3.974 8.032 ( 1.544 3.033 -0.125) 3.406 8.185 ( 4.727 -0.248 -2.428) 5.320 8.260 ( 3.536 -0.913 0.032) 3.652 8.465 ( 4.406 2.031 -3.268) 5.850 8.566 ( 2.794 2.282 -2.530) 4.406 8.642 ( 2.868 7.620 0.547) 8.160 8.709 ( 2.893 -1.171 -2.062) 3.740 8.854 ( 0.083 -3.186 -2.112) 3.823 8.916 ( -3.326 -1.667 0.752) 3.796 9.026 ( -2.420 -2.054 3.438) 4.679 9.095 ( -7.207 -0.657 2.822) 7.768======================= Grid point 111 (32/75) =======================q-point: (-0.56 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.787 ( 9.121 -10.610 -4.615) 14.733 1.894 ( 8.936 -5.359 -4.179) 11.227 2.238 ( 1.545 -1.150 -4.200) 4.621 2.313 ( 0.518 0.280 1.023) 1.180 2.479 ( -1.011 4.060 0.915) 4.283 2.515 ( -4.184 2.002 -1.581) 4.900 2.630 ( -0.400 4.014 4.352) 5.934 2.721 ( -4.122 -1.880 1.757) 4.859 3.068 ( 5.358 -6.691 -10.984) 13.932 3.193 ( -0.435 1.323 -7.996) 8.117 3.423 ( 1.791 0.614 0.514) 1.962 3.541 ( -3.237 0.915 0.263) 3.374 4.417 ( 12.619 -1.676 -2.813) 13.036 4.578 ( 2.920 -8.603 -1.527) 9.213 4.770 ( -1.192 2.768 2.340) 3.816 4.889 ( 2.186 -6.065 1.313) 6.579 5.041 ( -0.355 9.409 1.068) 9.476 5.182 ( -4.945 -1.402 2.103) 5.553 5.633 ( -1.896 -2.094 3.375) 4.401 5.761 ( -2.688 4.774 4.146) 6.871 5.848 ( -1.486 -1.012 1.643) 2.436 5.955 ( 1.398 0.334 5.062) 5.262 6.059 ( -1.595 -1.375 7.144) 7.448 6.264 ( -5.223 4.394 1.483) 6.985 6.361 ( 4.683 0.838 1.175) 4.901 6.460 ( 1.204 -3.281 1.953) 4.004 6.668 ( -0.419 -5.381 -5.696) 7.847 6.831 ( -3.061 1.905 -0.545) 3.646 6.912 ( -5.080 1.143 1.474) 5.411 6.976 ( -3.756 4.028 2.199) 5.931 7.947 ( 3.587 -0.344 -3.583) 5.082 8.009 ( 2.886 -4.460 -1.518) 5.525 8.139 ( 2.892 1.384 -5.504) 6.370 8.235 ( 4.001 -1.152 -1.724) 4.506 8.409 ( 4.490 -0.254 -5.390) 7.020 8.483 ( 0.608 -5.223 -5.988) 7.969 8.638 ( 3.861 -4.288 0.203) 5.773 8.762 ( 1.340 8.713 0.231) 8.818 8.849 ( -2.038 5.218 -3.449) 6.579 8.901 ( -5.202 -0.976 -0.191) 5.296 9.092 ( 0.579 0.083 7.695) 7.717 9.161 ( -5.501 0.259 6.236) 8.320======================= Grid point 112 (33/75) =======================q-point: (-0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( 13.671 -13.671 -6.658) 20.448 1.693 ( 12.712 -12.712 -5.942) 18.934 2.170 ( 0.773 -0.773 -3.753) 3.909 2.377 ( -3.195 3.195 3.666) 5.819 2.458 ( 4.405 -4.405 -5.723) 8.459 2.530 ( -2.875 2.875 -1.412) 4.304 2.699 ( 2.120 -2.120 -0.545) 3.048 2.766 ( -2.284 2.284 5.708) 6.559 2.813 ( 5.465 -5.465 -8.667) 11.613 3.102 ( -2.347 2.347 -8.184) 8.832 3.430 ( 0.110 -0.110 -0.180) 0.238 3.572 ( -2.702 2.702 0.691) 3.883 4.346 ( 5.791 -5.791 -2.335) 8.516 4.462 ( 5.884 -5.884 3.342) 8.967 4.808 ( 4.383 -4.383 -2.028) 6.521 4.825 ( -3.659 3.659 -1.335) 5.344 5.164 ( -2.242 2.242 3.386) 4.639 5.197 ( -1.676 1.676 0.825) 2.510 5.688 ( 0.488 -0.488 6.306) 6.343 5.821 ( -0.273 0.273 0.697) 0.797 5.913 ( -3.945 3.945 4.841) 7.386 6.045 ( 0.055 -0.055 6.798) 6.798 6.157 ( 1.337 -1.337 7.878) 8.101 6.272 ( 2.353 -2.353 -1.085) 3.501 6.404 ( 4.498 -4.498 -0.481) 6.379 6.474 ( -8.563 8.563 2.584) 12.383 6.541 ( 2.534 -2.534 -4.022) 5.387 6.876 ( -2.702 2.702 1.803) 4.225 6.958 ( -3.499 3.499 1.360) 5.132 7.049 ( -4.070 4.070 0.075) 5.756 7.861 ( 2.727 -2.727 -5.751) 6.924 7.900 ( 6.785 -6.785 -2.704) 9.969 8.069 ( 1.382 -1.382 -4.242) 4.670 8.182 ( 2.691 -2.691 -2.111) 4.352 8.327 ( 1.626 -1.626 -5.809) 6.248 8.342 ( 2.046 -2.046 -5.111) 5.873 8.597 ( 3.242 -3.242 0.424) 4.605 8.866 ( -3.976 3.976 -2.023) 5.976 8.870 ( -3.594 3.594 -1.424) 5.278 8.895 ( -3.696 3.696 0.057) 5.227 9.208 ( 0.295 -0.295 7.990) 8.001 9.250 ( -2.004 2.004 5.086) 5.822======================= Grid point 114 (34/75) =======================q-point: (-0.22 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.090 ( 23.060 -7.734 0.000) 24.322 1.118 ( 19.343 -17.020 0.000) 25.765 1.990 ( 31.397 -6.618 0.000) 32.087 2.105 ( 3.177 -0.797 0.000) 3.275 2.527 ( -3.731 0.627 -0.000) 3.784 2.558 ( -1.842 1.565 -0.000) 2.417 2.659 ( 0.602 1.400 -0.000) 1.524 2.723 ( -1.148 -0.798 -0.000) 1.398 2.821 ( 1.047 -2.018 0.000) 2.273 3.124 ( -8.372 5.150 -0.000) 9.829 3.385 ( -2.577 -1.589 -0.000) 3.027 3.654 ( -2.729 0.367 -0.000) 2.753 4.202 ( -0.517 -0.969 0.000) 1.098 4.439 ( 1.975 -4.740 0.000) 5.135 4.771 ( 7.486 2.559 0.000) 7.911 4.848 ( -1.086 3.446 -0.000) 3.613 5.195 ( -2.114 -0.139 -0.000) 2.118 5.226 ( 5.711 -2.457 0.000) 6.217 5.800 ( 1.872 1.777 0.000) 2.581 5.892 ( -0.960 -0.133 -0.000) 0.970 6.026 ( 5.886 -6.690 0.000) 8.911 6.048 ( 0.023 0.137 -0.000) 0.139 6.129 ( 1.556 -0.508 0.000) 1.637 6.261 ( 1.758 1.610 0.000) 2.383 6.361 ( 0.215 -3.441 0.000) 3.448 6.503 ( 0.032 4.912 -0.000) 4.912 6.722 ( -9.318 3.253 -0.000) 9.870 6.975 ( -2.382 0.244 -0.000) 2.394 7.096 ( -5.287 4.182 -0.000) 6.741 7.186 ( -1.873 7.670 -0.000) 7.895 7.627 ( 2.602 -4.148 0.000) 4.897 7.739 ( 6.016 -1.152 0.000) 6.125 7.948 ( 14.489 -3.388 0.000) 14.880 8.067 ( 1.023 -3.482 0.000) 3.629 8.165 ( 2.238 -5.091 0.000) 5.561 8.238 ( -7.827 3.136 -0.000) 8.432 8.521 ( 2.207 -2.392 0.000) 3.255 8.806 ( -9.612 -0.727 -0.000) 9.639 8.925 ( -6.833 0.870 -0.000) 6.888 9.033 ( -1.414 2.272 -0.000) 2.676 9.256 ( 0.645 -2.358 0.000) 2.445 9.461 ( -0.332 4.458 -0.000) 4.470======================= Grid point 115 (35/75) =======================q-point: (-0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( 20.947 0.000 7.242) 22.164 1.104 ( 22.506 0.000 9.029) 24.249 2.018 ( 34.918 0.000 10.097) 36.348 2.114 ( -0.357 0.000 2.496) 2.522 2.507 ( -4.691 -0.000 -3.084) 5.614 2.569 ( -1.163 -0.000 -0.715) 1.366 2.666 ( 0.516 -0.000 -0.121) 0.530 2.728 ( -0.624 0.000 1.973) 2.069 2.810 ( -0.033 0.000 0.012) 0.035 3.178 ( -7.630 0.000 2.596) 8.060 3.376 ( -2.772 0.000 0.364) 2.796 3.643 ( -2.067 -0.000 -1.428) 2.513 4.183 ( -1.657 -0.000 -1.988) 2.588 4.411 ( 4.922 -0.000 0.533) 4.951 4.735 ( 7.197 -0.000 -3.665) 8.077 4.932 ( -2.976 0.000 4.213) 5.159 5.181 ( 1.658 -0.000 -2.372) 2.894 5.197 ( 3.625 -0.000 -0.964) 3.751 5.795 ( -0.169 -0.000 -2.246) 2.252 5.892 ( 0.559 -0.000 -3.051) 3.102 5.926 ( 4.675 -0.000 -2.830) 5.465 6.072 ( 3.742 0.000 2.152) 4.317 6.091 ( 1.373 -0.000 -4.508) 4.712 6.248 ( -1.533 -0.000 -5.115) 5.340 6.335 ( 0.952 0.000 1.391) 1.685 6.559 ( -4.365 0.000 1.850) 4.740 6.734 ( -7.191 0.000 -0.539) 7.211 6.956 ( -1.695 -0.000 -2.515) 3.033 7.153 ( -6.429 0.000 2.938) 7.069 7.241 ( -2.520 -0.000 -0.873) 2.667 7.640 ( 4.039 0.000 4.931) 6.374 7.730 ( 5.027 -0.000 0.107) 5.028 7.908 ( 14.131 -0.000 -0.263) 14.133 8.085 ( 1.957 0.000 6.445) 6.735 8.136 ( 1.454 0.000 0.502) 1.539 8.307 ( -6.905 0.000 5.535) 8.849 8.499 ( 1.810 -0.000 -0.400) 1.854 8.828 ( -9.944 0.000 3.851) 10.664 8.921 ( -6.812 0.000 -1.488) 6.973 9.044 ( -1.414 -0.000 -0.514) 1.504 9.206 ( 2.789 -0.000 -4.742) 5.501 9.469 ( -1.101 -0.000 -3.349) 3.525======================= Grid point 120 (36/75) =======================q-point: (-0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.962 ( 1.885 1.885 0.433) 2.700 1.971 ( 0.548 0.548 -1.288) 1.504 2.289 ( 0.402 0.402 -6.332) 6.358 2.308 ( -0.419 -0.419 -6.832) 6.857 2.428 ( 1.127 1.127 0.736) 1.756 2.438 ( -0.611 -0.611 1.344) 1.598 2.604 ( 2.266 2.266 5.169) 6.082 2.704 ( -3.899 -3.899 3.221) 6.387 3.163 ( 0.235 0.235 -8.127) 8.134 3.169 ( 0.161 0.161 -9.276) 9.279 3.439 ( 2.268 2.268 0.066) 3.208 3.505 ( -2.736 -2.736 0.066) 3.869 4.586 ( 2.322 2.322 -0.669) 3.352 4.595 ( 1.788 1.788 -2.980) 3.909 4.835 ( 5.057 5.057 -1.138) 7.241 4.845 ( 5.722 5.722 2.595) 8.498 5.044 ( -4.711 -4.711 0.396) 6.674 5.090 ( -6.599 -6.599 1.180) 9.407 5.662 ( -1.623 -1.623 5.785) 6.223 5.666 ( -1.917 -1.917 5.457) 6.094 5.866 ( 3.891 3.891 1.578) 5.725 5.973 ( -3.523 -3.523 1.103) 5.104 6.061 ( 1.999 1.999 7.032) 7.579 6.148 ( -4.433 -4.433 6.042) 8.706 6.429 ( 3.852 3.852 0.370) 5.460 6.491 ( -0.619 -0.619 2.517) 2.665 6.741 ( -2.095 -2.095 -3.101) 4.290 6.752 ( -3.005 -3.005 -2.877) 5.132 6.883 ( 0.726 0.726 2.988) 3.160 6.906 ( -0.973 -0.973 1.600) 2.110 7.983 ( 2.537 2.537 -3.357) 4.914 8.023 ( 0.016 0.016 -2.711) 2.711 8.202 ( 2.333 2.333 -3.424) 4.754 8.246 ( -0.939 -0.939 -3.169) 3.436 8.463 ( 3.906 3.906 -5.768) 7.987 8.531 ( -0.297 -0.297 -5.604) 5.620 8.666 ( 4.209 4.209 -1.577) 6.158 8.733 ( 1.789 1.789 -0.726) 2.632 8.805 ( -2.614 -2.614 -3.225) 4.906 8.839 ( -3.182 -3.182 -1.836) 4.860 9.099 ( -0.154 -0.154 8.596) 8.598 9.120 ( -1.622 -1.622 7.904) 8.230======================= Grid point 122 (37/75) =======================q-point: (-0.56 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.875 ( 10.121 -10.121 -1.738) 14.418 1.951 ( 5.180 -5.180 -1.854) 7.557 2.178 ( 0.457 -0.457 -6.405) 6.437 2.268 ( -5.460 5.460 -3.638) 8.536 2.450 ( -1.400 1.400 0.887) 2.169 2.469 ( -1.569 1.569 0.541) 2.284 2.700 ( -0.258 0.258 1.070) 1.131 2.712 ( -1.255 1.255 3.619) 4.030 3.003 ( 5.090 -5.090 -7.813) 10.623 3.071 ( -0.845 0.845 -7.434) 7.530 3.443 ( 1.119 -1.119 -0.785) 1.766 3.496 ( -2.655 2.655 -0.542) 3.793 4.512 ( 5.970 -5.970 -2.017) 8.680 4.617 ( 1.061 -1.061 0.075) 1.503 4.780 ( 4.382 -4.382 -1.339) 6.340 4.939 ( 5.141 -5.141 -0.400) 7.282 5.013 ( -8.339 8.339 0.429) 11.800 5.094 ( -5.405 5.405 -0.425) 7.655 5.723 ( 1.859 -1.859 8.570) 8.964 5.796 ( -3.760 3.760 6.846) 8.668 5.870 ( 4.171 -4.171 0.274) 5.906 6.001 ( -3.999 3.999 4.423) 7.180 6.182 ( 0.930 -0.930 8.342) 8.445 6.234 ( -3.643 3.643 4.566) 6.884 6.433 ( 3.876 -3.876 -0.360) 5.493 6.499 ( 0.489 -0.489 0.532) 0.873 6.638 ( 4.786 -4.786 -1.731) 6.986 6.774 ( -4.729 4.729 0.989) 6.761 6.904 ( 0.116 -0.116 1.619) 1.627 6.956 ( -2.992 2.992 1.330) 4.435 7.922 ( 2.356 -2.356 -5.639) 6.549 7.997 ( -2.515 2.515 -2.986) 4.643 8.099 ( 5.475 -5.475 -6.238) 9.942 8.224 ( -2.124 2.124 -2.766) 4.083 8.398 ( 3.733 -3.733 -4.822) 7.150 8.434 ( 3.159 -3.159 -3.822) 5.879 8.681 ( 2.452 -2.452 -0.277) 3.479 8.729 ( -4.092 4.092 -2.934) 6.488 8.777 ( -2.541 2.541 -2.959) 4.655 8.808 ( -3.142 3.142 -1.074) 4.572 9.215 ( 0.070 -0.070 7.991) 7.992 9.218 ( -0.392 0.392 6.900) 6.923======================= Grid point 124 (38/75) =======================q-point: (-0.33 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.503 ( 19.267 -10.585 0.000) 21.983 1.576 ( 14.590 -15.822 0.000) 21.522 2.079 ( -1.506 -0.477 -0.000) 1.579 2.387 ( 5.414 -4.152 0.000) 6.823 2.438 ( -5.249 4.591 -0.000) 6.974 2.539 ( 2.790 3.093 -0.000) 4.165 2.696 ( -1.894 0.564 -0.000) 1.976 2.731 ( 7.817 -3.517 0.000) 8.572 2.846 ( -0.016 -0.010 -0.000) 0.019 2.974 ( -1.570 2.678 -0.000) 3.105 3.379 ( -2.279 -2.633 0.000) 3.483 3.596 ( -2.612 2.847 -0.000) 3.864 4.242 ( -1.094 -7.286 0.000) 7.368 4.545 ( 5.205 -3.724 0.000) 6.400 4.768 ( -2.762 3.712 -0.000) 4.627 4.884 ( 10.994 0.571 0.000) 11.008 5.095 ( -10.509 1.814 -0.000) 10.664 5.291 ( 2.940 2.455 0.000) 3.830 5.805 ( 1.792 -0.002 0.000) 1.792 5.891 ( 1.798 1.002 0.000) 2.058 5.998 ( -1.118 3.595 -0.000) 3.765 6.147 ( 0.945 -4.795 0.000) 4.887 6.220 ( 2.251 -2.266 0.000) 3.195 6.288 ( -3.816 2.812 -0.000) 4.740 6.377 ( 6.206 -5.022 0.000) 7.983 6.532 ( 4.657 -1.381 0.000) 4.858 6.558 ( -0.911 6.811 -0.000) 6.871 6.945 ( -2.547 0.025 -0.000) 2.547 6.986 ( -3.692 3.654 -0.000) 5.194 7.050 ( -1.247 8.145 -0.000) 8.240 7.714 ( 0.521 -4.804 0.000) 4.832 7.851 ( 6.011 -3.299 0.000) 6.857 8.021 ( -7.760 0.380 -0.000) 7.769 8.150 ( 3.495 -2.643 0.000) 4.382 8.206 ( 3.561 -2.452 0.000) 4.324 8.268 ( 5.561 -4.179 0.000) 6.956 8.591 ( 2.229 -3.498 0.000) 4.148 8.684 ( -10.382 -2.753 -0.000) 10.741 8.799 ( -8.701 2.289 -0.000) 8.997 8.976 ( 0.257 5.282 -0.000) 5.288 9.287 ( 0.133 -1.424 0.000) 1.430 9.394 ( -0.780 3.799 -0.000) 3.878======================= Grid point 125 (39/75) =======================q-point: (-0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 17.773 -10.092 3.931) 20.813 1.447 ( 19.999 -6.889 5.323) 21.812 2.102 ( -1.220 -0.367 3.957) 4.157 2.355 ( 4.785 -1.894 1.551) 5.375 2.470 ( 0.656 0.299 0.154) 0.738 2.563 ( 2.078 1.875 -2.141) 3.524 2.691 ( 3.036 0.598 -0.280) 3.107 2.727 ( 1.721 -0.750 2.266) 2.943 2.826 ( 2.705 -1.904 0.358) 3.328 3.059 ( -4.870 3.589 4.335) 7.442 3.350 ( -2.670 -2.040 0.765) 3.447 3.612 ( -2.075 0.508 -0.618) 2.224 4.169 ( -2.679 -3.036 -1.044) 4.182 4.510 ( 6.955 -1.699 0.922) 7.219 4.810 ( 1.894 1.775 -0.639) 2.673 4.896 ( 2.623 0.623 0.788) 2.808 5.110 ( -8.340 1.003 -1.053) 8.466 5.286 ( 4.905 -0.561 -2.135) 5.379 5.783 ( -0.653 -0.650 -2.524) 2.687 5.888 ( 3.035 3.110 -3.728) 5.726 6.006 ( 2.018 -1.275 -3.238) 4.023 6.097 ( 1.091 0.599 -3.393) 3.614 6.161 ( 3.354 -2.841 -0.198) 4.400 6.248 ( 2.152 -0.948 -6.430) 6.846 6.356 ( 0.137 -1.304 1.179) 1.764 6.525 ( 1.485 0.249 0.665) 1.645 6.639 ( -2.379 3.617 0.503) 4.358 6.923 ( -1.865 0.810 -1.536) 2.548 7.064 ( -2.872 3.916 2.235) 5.346 7.154 ( -1.689 7.170 -0.930) 7.424 7.702 ( 1.356 -3.120 5.974) 6.874 7.812 ( 4.619 -2.914 0.463) 5.481 8.033 ( -1.548 -0.007 0.697) 1.697 8.108 ( 2.127 -1.136 0.078) 2.413 8.192 ( 0.069 -4.375 1.988) 4.806 8.277 ( 4.677 -1.375 8.034) 9.397 8.540 ( 1.931 -3.023 -1.003) 3.725 8.680 ( -11.301 -0.839 3.468) 11.850 8.817 ( -8.370 0.335 -0.092) 8.377 9.025 ( 0.389 2.284 -0.479) 2.366 9.247 ( 1.772 -0.603 -3.724) 4.167 9.419 ( -2.118 3.064 -3.217) 4.922======================= Grid point 126 (40/75) =======================q-point: (-0.11 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.402 ( 16.522 0.000 8.452) 18.558 1.495 ( 17.255 0.000 7.746) 18.914 2.157 ( -0.437 0.000 4.047) 4.070 2.344 ( -5.550 -0.000 -3.026) 6.321 2.504 ( 7.612 0.000 6.430) 9.965 2.533 ( 1.745 -0.000 -3.238) 3.678 2.696 ( -3.380 -0.000 -1.875) 3.865 2.759 ( 2.524 0.000 4.375) 5.051 2.829 ( 8.985 0.000 2.534) 9.336 3.157 ( -5.130 0.000 6.052) 7.934 3.350 ( -2.151 0.000 1.347) 2.538 3.606 ( -1.075 -0.000 -0.509) 1.190 4.131 ( -2.071 -0.000 -1.080) 2.336 4.520 ( 8.039 -0.000 1.668) 8.210 4.804 ( 5.856 -0.000 -0.912) 5.927 4.906 ( -4.083 0.000 -1.049) 4.216 5.083 ( -7.478 -0.000 -3.706) 8.346 5.242 ( 5.264 -0.000 -3.204) 6.162 5.732 ( -0.109 -0.000 -4.707) 4.709 5.859 ( 0.989 -0.000 -2.470) 2.660 5.935 ( 3.797 -0.000 -4.701) 6.043 6.017 ( -1.348 -0.000 -8.153) 8.263 6.124 ( 1.600 -0.000 -4.991) 5.242 6.196 ( 2.459 0.000 1.349) 2.804 6.353 ( 1.478 -0.000 -0.046) 1.479 6.535 ( -1.685 0.000 -0.044) 1.686 6.677 ( -1.390 0.000 2.333) 2.716 6.923 ( -0.231 -0.000 -0.511) 0.561 7.127 ( -2.946 0.000 2.081) 3.607 7.193 ( -2.221 -0.000 -1.118) 2.487 7.767 ( 2.886 0.000 5.886) 6.555 7.804 ( 3.746 0.000 2.181) 4.335 8.038 ( 1.842 0.000 1.355) 2.287 8.133 ( -1.574 0.000 2.045) 2.581 8.196 ( 1.201 0.000 4.863) 5.009 8.375 ( 3.886 0.000 6.755) 7.793 8.499 ( -0.205 -0.000 -1.280) 1.296 8.744 ( -11.049 0.000 5.705) 12.435 8.808 ( -6.540 0.000 -1.291) 6.667 9.025 ( 0.663 -0.000 -1.629) 1.758 9.178 ( 3.426 -0.000 -5.609) 6.572 9.390 ( -2.614 -0.000 -4.065) 4.833======================= Grid point 134 (41/75) =======================q-point: (-0.44 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.864 ( 10.203 -10.843 0.000) 14.889 1.932 ( 13.724 -10.003 0.000) 16.983 2.038 ( -4.590 1.462 -0.000) 4.817 2.239 ( -8.240 11.434 -0.000) 14.094 2.439 ( 0.026 -3.161 0.000) 3.161 2.502 ( -2.391 2.683 -0.000) 3.594 2.670 ( -0.060 -0.324 0.000) 0.330 2.713 ( -3.871 1.902 -0.000) 4.313 2.959 ( 5.735 -1.897 0.000) 6.041 2.993 ( 1.390 -0.639 0.000) 1.530 3.415 ( 2.751 -2.748 0.000) 3.889 3.509 ( -2.343 4.956 -0.000) 5.482 4.387 ( 1.579 -13.330 0.000) 13.423 4.586 ( -8.347 2.126 -0.000) 8.614 4.733 ( 4.311 -4.096 0.000) 5.946 4.897 ( -10.665 3.264 -0.000) 11.153 5.059 ( 13.589 0.212 0.000) 13.590 5.227 ( 0.642 10.441 -0.000) 10.461 5.852 ( 2.329 -1.799 0.000) 2.943 5.899 ( -0.197 1.839 -0.000) 1.849 5.968 ( 5.465 0.902 0.000) 5.539 6.108 ( -6.524 6.995 -0.000) 9.566 6.220 ( -0.074 -4.360 0.000) 4.361 6.256 ( -1.740 -0.879 -0.000) 1.950 6.507 ( 5.183 1.012 0.000) 5.281 6.535 ( 3.403 2.075 0.000) 3.986 6.662 ( 7.935 -5.137 0.000) 9.452 6.839 ( -4.396 7.614 -0.000) 8.792 6.936 ( -1.013 -1.049 0.000) 1.458 6.967 ( -0.746 2.991 -0.000) 3.083 7.777 ( 0.500 -4.709 0.000) 4.736 7.876 ( -6.991 2.213 -0.000) 7.333 8.005 ( 4.739 -6.786 0.000) 8.277 8.156 ( -6.432 2.868 -0.000) 7.042 8.307 ( 5.714 -7.486 0.000) 9.418 8.394 ( 1.230 -2.831 0.000) 3.086 8.580 ( -7.730 -3.806 -0.000) 8.616 8.618 ( -7.712 1.690 -0.000) 7.895 8.749 ( 6.814 -2.571 0.000) 7.283 8.885 ( -0.623 8.241 -0.000) 8.264 9.308 ( 0.591 -1.380 0.000) 1.501 9.343 ( -1.288 1.852 -0.000) 2.256======================= Grid point 135 (42/75) =======================q-point: (-0.33 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.736 ( 12.071 -10.367 2.463) 16.101 1.793 ( 14.554 -8.549 -0.033) 16.879 2.087 ( -1.400 -0.124 4.971) 5.166 2.332 ( -4.437 2.200 -2.408) 5.506 2.435 ( -2.615 1.415 3.481) 4.578 2.538 ( -1.372 2.694 -0.738) 3.112 2.666 ( -2.245 -0.015 -1.857) 2.914 2.725 ( -3.165 0.980 0.178) 3.318 2.960 ( 4.400 -0.313 3.330) 5.527 3.017 ( 4.654 -0.630 4.443) 6.465 3.372 ( 1.572 -2.500 -0.511) 2.997 3.571 ( -0.763 2.774 0.727) 2.968 4.226 ( -0.726 -10.114 0.277) 10.144 4.601 ( -0.717 -0.030 0.274) 0.768 4.728 ( -3.542 1.097 1.533) 4.013 4.918 ( -6.528 1.628 -2.223) 7.086 5.061 ( 9.176 -0.536 0.130) 9.193 5.313 ( 1.572 3.584 -1.599) 4.227 5.803 ( 1.051 -1.383 -3.442) 3.856 5.889 ( 3.716 3.255 -4.354) 6.585 6.014 ( 2.506 3.442 -0.093) 4.259 6.115 ( -1.781 -1.197 -5.503) 5.906 6.162 ( -1.043 0.778 -3.742) 3.961 6.265 ( -0.472 0.845 0.545) 1.110 6.437 ( 4.420 -3.045 -4.678) 7.120 6.568 ( 3.211 -0.001 -2.357) 3.983 6.631 ( 6.536 0.026 3.518) 7.422 6.892 ( -0.796 1.592 -1.538) 2.353 6.962 ( -2.855 4.844 1.788) 5.900 7.038 ( 0.178 7.718 -0.697) 7.751 7.753 ( -0.704 -3.863 4.835) 6.228 7.916 ( -2.700 -4.155 2.048) 5.362 7.945 ( -2.080 -0.795 3.245) 3.935 8.166 ( -0.737 -2.629 0.605) 2.796 8.246 ( 1.711 -3.324 2.282) 4.380 8.361 ( -0.059 -4.062 3.027) 5.066 8.542 ( -8.973 -3.558 2.067) 9.871 8.649 ( -2.544 0.967 0.726) 2.817 8.720 ( 2.290 -2.297 1.347) 3.513 8.982 ( 0.275 5.357 0.213) 5.368 9.269 ( 0.625 -0.691 -3.368) 3.494 9.350 ( -1.798 2.856 -3.409) 4.797======================= Grid point 136 (43/75) =======================q-point: (-0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.658 ( 12.231 -7.093 4.296) 14.777 1.731 ( 12.803 -3.668 2.699) 13.588 2.143 ( -2.119 -0.840 3.014) 3.779 2.294 ( -1.860 -1.178 -2.128) 3.062 2.489 ( -3.606 1.030 -0.271) 3.760 2.565 ( -0.189 1.394 1.869) 2.339 2.630 ( -3.562 0.743 -2.737) 4.553 2.768 ( -0.008 0.883 3.604) 3.711 3.007 ( 7.455 -1.632 4.797) 9.014 3.094 ( 0.945 1.372 5.626) 5.867 3.345 ( -0.259 -1.486 0.751) 1.685 3.601 ( 1.039 0.558 0.634) 1.339 4.132 ( -1.565 -4.705 0.738) 5.013 4.605 ( 2.342 -0.172 0.674) 2.443 4.775 ( -8.267 1.642 1.723) 8.602 4.882 ( -2.312 0.149 -4.625) 5.173 5.029 ( 3.202 -1.768 -2.628) 4.503 5.295 ( 2.198 0.299 -3.796) 4.396 5.744 ( 2.349 0.584 -3.908) 4.597 5.873 ( 2.139 1.616 -3.798) 4.649 5.993 ( 2.397 -2.055 -5.707) 6.522 6.010 ( 2.101 1.490 -8.275) 8.667 6.126 ( -0.688 0.253 -3.087) 3.173 6.241 ( 2.038 -0.921 -2.122) 3.083 6.388 ( 2.696 0.351 -0.200) 2.726 6.521 ( 0.912 0.007 -2.616) 2.770 6.694 ( 4.080 0.307 4.089) 5.784 6.911 ( 1.126 1.726 0.630) 2.155 7.060 ( -1.613 5.959 1.251) 6.299 7.130 ( 0.495 6.350 -0.932) 6.437 7.789 ( -1.152 -2.219 5.963) 6.466 7.874 ( 0.588 -4.619 2.739) 5.402 7.995 ( -6.374 0.211 2.508) 6.853 8.142 ( 2.572 -1.506 0.945) 3.127 8.237 ( -1.569 -5.320 5.168) 7.581 8.380 ( -4.737 -1.203 4.744) 6.812 8.524 ( -4.690 -2.594 0.397) 5.374 8.675 ( 2.719 0.475 3.080) 4.136 8.728 ( -3.095 -1.175 2.386) 4.081 9.027 ( 1.276 2.043 -0.969) 2.596 9.207 ( 1.255 0.268 -5.026) 5.187 9.335 ( -2.302 2.567 -4.040) 5.312======================= Grid point 137 (44/75) =======================q-point: (-0.11 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.667 ( 7.642 0.000 3.497) 8.404 1.748 ( 8.951 0.000 2.834) 9.389 2.131 ( -6.195 -0.000 -2.267) 6.597 2.271 ( 2.624 -0.000 -0.469) 2.666 2.474 ( -2.986 -0.000 -1.899) 3.539 2.585 ( -3.666 -0.000 -1.235) 3.868 2.647 ( 0.531 0.000 4.065) 4.100 2.826 ( 1.505 0.000 3.369) 3.689 3.048 ( 8.940 0.000 3.380) 9.558 3.184 ( -3.001 0.000 5.964) 6.677 3.350 ( -1.312 0.000 0.944) 1.616 3.610 ( 2.006 -0.000 0.234) 2.019 4.120 ( -0.705 0.000 2.294) 2.400 4.610 ( -0.688 0.000 -0.001) 0.688 4.789 ( -3.192 -0.000 -4.217) 5.289 4.815 ( -5.446 -0.000 -2.518) 6.000 4.979 ( 1.809 -0.000 -1.156) 2.147 5.241 ( 1.410 -0.000 -4.227) 4.456 5.708 ( 3.451 -0.000 -2.728) 4.398 5.827 ( 0.906 -0.000 -4.676) 4.763 5.900 ( 2.005 -0.000 -4.652) 5.066 5.913 ( 2.990 -0.000 -5.765) 6.494 6.072 ( -0.222 -0.000 -3.971) 3.978 6.236 ( 0.935 0.000 0.855) 1.267 6.382 ( 3.728 -0.000 -1.344) 3.963 6.509 ( -1.252 0.000 0.038) 1.253 6.749 ( 3.553 0.000 3.801) 5.202 6.923 ( 1.473 -0.000 -1.204) 1.903 7.124 ( -0.166 0.000 0.553) 0.577 7.169 ( 0.153 0.000 0.335) 0.368 7.844 ( -2.573 0.000 3.696) 4.503 7.874 ( 0.270 0.000 3.066) 3.078 8.023 ( -3.834 0.000 1.883) 4.272 8.147 ( 2.026 -0.000 0.486) 2.083 8.274 ( -3.039 0.000 6.310) 7.004 8.429 ( -6.543 0.000 2.184) 6.898 8.504 ( -0.614 0.000 1.311) 1.448 8.720 ( -4.536 0.000 -0.264) 4.544 8.753 ( 4.297 0.000 4.649) 6.330 9.017 ( 1.915 -0.000 -2.146) 2.876 9.146 ( 1.379 -0.000 -4.255) 4.473 9.310 ( -1.744 -0.000 -2.338) 2.917======================= Grid point 143 (45/75) =======================q-point: ( 0.56 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.941 ( -2.207 -2.207 -2.140) 3.784 1.949 ( 0.078 0.078 -0.631) 0.640 2.156 ( 3.028 3.028 4.520) 6.226 2.160 ( 0.715 0.715 3.811) 3.943 2.427 ( -0.843 -0.843 -1.046) 1.586 2.486 ( -0.664 -0.664 1.696) 1.938 2.658 ( -1.552 -1.552 -2.570) 3.380 2.684 ( -0.535 -0.535 2.027) 2.164 2.977 ( -0.663 -0.663 1.549) 1.811 3.068 ( 1.571 1.571 5.472) 5.906 3.421 ( 0.620 0.620 -3.956) 4.052 3.534 ( 2.820 2.820 3.486) 5.297 4.413 ( -6.236 -6.236 0.401) 8.828 4.429 ( -6.213 -6.213 1.259) 8.876 4.779 ( 0.013 0.013 -1.243) 1.244 4.811 ( -0.357 -0.357 0.412) 0.652 5.204 ( 4.227 4.227 -2.152) 6.353 5.240 ( 4.466 4.466 0.503) 6.336 5.824 ( 0.231 0.231 -4.985) 4.996 5.899 ( 2.055 2.055 -2.692) 3.961 6.015 ( 3.458 3.458 -4.710) 6.789 6.062 ( 2.163 2.163 0.892) 3.186 6.177 ( -1.154 -1.154 -5.118) 5.372 6.251 ( -0.368 -0.368 1.154) 1.266 6.486 ( 1.098 1.098 -7.074) 7.242 6.587 ( 1.421 1.421 -0.297) 2.032 6.762 ( 2.326 2.326 -0.222) 3.297 6.797 ( 2.714 2.714 1.426) 4.094 6.951 ( 1.633 1.633 -0.614) 2.389 6.955 ( 2.070 2.070 0.219) 2.936 7.787 ( -3.059 -3.059 2.664) 5.081 7.849 ( -2.610 -2.610 6.176) 7.196 8.030 ( -3.837 -3.837 -0.421) 5.443 8.124 ( -1.113 -1.113 5.569) 5.787 8.332 ( -2.754 -2.754 -0.867) 3.990 8.382 ( -3.940 -3.940 2.245) 6.008 8.514 ( -3.012 -3.012 0.987) 4.373 8.549 ( -4.137 -4.137 3.166) 6.653 8.859 ( 3.527 3.527 0.106) 4.988 8.885 ( 3.579 3.579 1.680) 5.333 9.291 ( -0.079 -0.079 -4.010) 4.012 9.304 ( 0.106 0.106 -2.945) 2.949======================= Grid point 145 (46/75) =======================q-point: (-0.33 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.845 ( 1.363 -5.340 -2.560) 6.077 1.919 ( 6.089 -3.265 -0.203) 6.912 2.157 ( 0.954 -4.519 2.599) 5.300 2.289 ( -2.116 3.040 2.916) 4.714 2.410 ( -1.848 0.280 -1.913) 2.674 2.513 ( -1.777 2.683 0.452) 3.250 2.607 ( -0.872 -0.681 -0.586) 1.252 2.743 ( -0.505 1.266 5.741) 5.901 3.018 ( -2.555 -1.709 6.766) 7.432 3.155 ( 4.326 1.355 3.898) 5.979 3.369 ( 0.658 -0.812 -2.708) 2.903 3.614 ( 3.625 2.710 1.917) 4.916 4.243 ( 1.038 -12.574 1.728) 12.735 4.473 ( -15.580 2.510 0.770) 15.799 4.747 ( 2.451 -1.644 -0.138) 2.955 4.817 ( -3.295 2.009 -3.407) 5.147 5.155 ( 6.329 -3.079 -3.543) 7.880 5.282 ( -1.330 2.359 -3.456) 4.390 5.768 ( 1.489 0.312 -3.584) 3.894 5.873 ( 2.944 3.111 -5.469) 6.947 6.008 ( 5.281 5.551 -7.210) 10.521 6.061 ( 2.275 -2.100 -3.331) 4.547 6.109 ( -1.817 0.232 -1.256) 2.221 6.258 ( 1.000 0.977 -2.757) 3.091 6.405 ( 1.963 0.999 -2.981) 3.707 6.557 ( 1.548 -0.405 -4.214) 4.507 6.768 ( 6.126 -1.085 2.833) 6.836 6.906 ( 0.631 5.605 2.155) 6.038 6.964 ( 3.585 3.862 -0.690) 5.315 7.042 ( 1.464 8.398 -0.222) 8.527 7.802 ( -1.828 -2.744 5.290) 6.234 7.892 ( -5.850 -2.595 4.014) 7.554 7.963 ( -3.163 -6.538 2.382) 7.643 8.187 ( -1.785 -1.487 4.245) 4.839 8.278 ( -3.243 -5.639 3.149) 7.227 8.342 ( -6.571 -6.005 3.083) 9.420 8.494 ( -2.109 -3.294 2.179) 4.477 8.590 ( -5.758 2.661 2.240) 6.726 8.861 ( 9.596 -2.048 2.433) 10.109 8.991 ( 0.304 5.396 0.830) 5.468 9.218 ( 0.926 -0.255 -5.375) 5.460 9.273 ( -1.260 2.561 -4.244) 5.115======================= Grid point 146 (47/75) =======================q-point: (-0.22 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( -0.077 -2.860 -3.848) 4.795 1.852 ( 1.874 -3.920 -4.210) 6.050 2.109 ( 0.137 -3.835 1.885) 4.276 2.318 ( 0.685 -0.068 -3.028) 3.105 2.399 ( -4.043 0.715 1.572) 4.396 2.551 ( -0.043 1.637 0.819) 1.831 2.636 ( -1.090 0.634 3.200) 3.440 2.846 ( 2.863 1.646 5.120) 6.093 3.106 ( -1.728 -1.193 8.588) 8.841 3.189 ( 4.312 0.706 -1.170) 4.524 3.335 ( -1.823 -0.975 -0.488) 2.125 3.652 ( 4.478 0.894 0.176) 4.570 4.146 ( -0.899 -6.063 2.590) 6.654 4.486 ( -15.366 0.197 -1.951) 15.491 4.736 ( -1.699 0.335 -0.742) 1.884 4.781 ( -0.089 0.693 -2.855) 2.939 5.060 ( 4.545 -3.085 -3.049) 6.283 5.232 ( -2.500 0.018 -5.260) 5.824 5.735 ( 2.151 1.233 -3.180) 4.032 5.833 ( 0.609 0.691 -4.041) 4.145 5.935 ( 3.359 0.339 -6.167) 7.030 6.008 ( 8.120 0.037 -4.608) 9.337 6.073 ( -0.418 -0.999 -3.071) 3.257 6.236 ( 0.308 1.018 -0.194) 1.081 6.432 ( 4.400 1.347 -0.199) 4.606 6.499 ( 0.629 0.222 -1.819) 1.937 6.802 ( 4.201 0.338 2.467) 4.883 6.952 ( 4.984 1.769 -1.802) 5.587 7.064 ( 0.791 8.113 1.499) 8.288 7.147 ( 2.457 6.368 0.147) 6.827 7.818 ( -3.528 -3.657 2.176) 5.528 7.890 ( -4.342 -5.665 3.122) 7.790 7.949 ( -4.982 0.789 3.988) 6.431 8.187 ( -0.648 -2.444 0.815) 2.657 8.263 ( -5.643 -6.825 5.840) 10.608 8.339 ( -7.791 -2.234 5.132) 9.593 8.477 ( -1.899 -1.440 -0.056) 2.384 8.649 ( -3.943 2.135 1.070) 4.610 8.884 ( 10.126 -0.977 3.828) 10.870 9.033 ( 2.192 1.814 -1.383) 3.164 9.150 ( 0.357 0.099 -4.534) 4.549 9.271 ( -1.260 2.902 -1.471) 3.489======================= Grid point 147 (48/75) =======================q-point: (-0.11 -0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.660 ( -4.043 -0.000 -6.845) 7.950 1.708 ( -6.352 -0.000 -10.488) 12.262 2.141 ( 1.540 0.000 5.542) 5.752 2.261 ( -1.307 -0.000 -3.516) 3.751 2.440 ( 0.936 0.000 2.934) 3.080 2.587 ( 0.874 0.000 2.870) 3.000 2.670 ( -1.994 0.000 0.673) 2.105 2.896 ( 4.508 -0.000 0.137) 4.510 3.103 ( 1.011 -0.000 -8.218) 8.280 3.235 ( -1.290 0.000 7.039) 7.156 3.333 ( -1.946 0.000 1.497) 2.455 3.648 ( 3.866 -0.000 -1.407) 4.114 4.134 ( -2.181 0.000 0.921) 2.368 4.446 ( -14.667 0.000 -3.027) 14.976 4.723 ( 0.750 0.000 0.232) 0.785 4.787 ( -0.013 0.000 1.383) 1.383 5.017 ( 1.768 -0.000 0.337) 1.800 5.162 ( -3.631 -0.000 -4.487) 5.773 5.702 ( 2.428 -0.000 -2.883) 3.769 5.801 ( -0.808 -0.000 -1.077) 1.346 5.879 ( 0.683 -0.000 -3.006) 3.083 5.948 ( 8.998 -0.000 -2.819) 9.430 6.036 ( 3.101 -0.000 -0.920) 3.235 6.249 ( 0.113 0.000 0.036) 0.119 6.398 ( 2.270 -0.000 -3.484) 4.158 6.524 ( 1.840 0.000 2.402) 3.025 6.827 ( 3.915 -0.000 0.164) 3.919 6.930 ( 4.062 -0.000 -2.618) 4.832 7.150 ( 2.159 0.000 1.395) 2.571 7.204 ( 3.107 0.000 1.129) 3.306 7.780 ( -7.166 0.000 -1.965) 7.431 7.884 ( -3.363 0.000 2.103) 3.966 8.035 ( -2.817 0.000 5.307) 6.008 8.160 ( -2.918 -0.000 -1.922) 3.494 8.270 ( -3.738 0.000 3.484) 5.110 8.388 ( -3.810 0.000 2.602) 4.614 8.471 ( -5.594 0.000 1.782) 5.871 8.669 ( -2.278 0.000 0.016) 2.278 8.928 ( 9.776 0.000 3.305) 10.319 9.022 ( 3.206 -0.000 -1.690) 3.624 9.100 ( -0.216 -0.000 -2.781) 2.790 9.295 ( -0.129 0.000 1.406) 1.412======================= Grid point 154 (49/75) =======================q-point: (-0.33 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( -3.085 -3.085 -7.102) 8.335 1.892 ( -3.652 -3.652 -6.713) 8.470 2.212 ( -0.380 -0.380 3.224) 3.269 2.223 ( -4.535 -4.535 -2.165) 6.769 2.408 ( 1.839 1.839 0.561) 2.661 2.534 ( 1.766 1.766 2.300) 3.396 2.621 ( -0.367 -0.367 2.442) 2.496 2.854 ( 2.969 2.969 6.932) 8.104 3.098 ( -1.989 -1.989 9.792) 10.188 3.215 ( 2.138 2.138 -2.087) 3.673 3.330 ( -1.252 -1.252 -2.047) 2.707 3.681 ( 3.545 3.545 -0.099) 5.014 4.269 ( -7.383 -7.383 1.126) 10.502 4.280 ( -6.464 -6.464 0.166) 9.144 4.722 ( -0.718 -0.718 -3.161) 3.320 4.780 ( 1.337 1.337 -0.487) 1.952 5.134 ( -0.731 -0.731 -4.367) 4.487 5.194 ( -1.833 -1.833 -5.332) 5.929 5.741 ( 1.153 1.153 -3.041) 3.450 5.832 ( 1.189 1.189 -4.312) 4.628 5.960 ( 1.393 1.393 -7.408) 7.666 6.065 ( -0.441 -0.441 -4.625) 4.667 6.080 ( 5.473 5.473 -0.890) 7.791 6.231 ( 0.056 0.056 -0.283) 0.294 6.459 ( 4.246 4.246 3.266) 6.836 6.505 ( 0.301 0.301 -5.239) 5.256 6.841 ( 3.186 3.186 -1.046) 4.626 6.960 ( 4.444 4.444 1.815) 6.542 7.036 ( 5.783 5.783 -1.149) 8.258 7.082 ( 5.235 5.235 0.935) 7.462 7.843 ( -5.143 -5.143 -0.294) 7.280 7.863 ( -0.392 -0.392 5.369) 5.397 7.933 ( -7.447 -7.447 4.749) 11.553 8.181 ( -4.879 -4.879 1.047) 6.978 8.262 ( -7.241 -7.241 6.084) 11.911 8.320 ( -5.406 -5.406 5.693) 9.532 8.501 ( -1.139 -1.139 -0.354) 1.650 8.579 ( 1.225 1.225 1.587) 2.349 8.979 ( 2.824 2.824 1.509) 4.269 9.026 ( 3.197 3.197 0.456) 4.544 9.169 ( 1.280 1.280 -3.152) 3.634 9.219 ( 0.668 0.668 -2.314) 2.499======================= Grid point 155 (50/75) =======================q-point: (-0.22 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( -5.193 -1.751 -11.447) 12.691 1.678 ( -6.487 -6.746 -12.677) 15.758 2.117 ( -7.308 -3.973 -2.473) 8.678 2.269 ( 2.476 0.779 3.188) 4.111 2.473 ( 3.452 1.023 5.260) 6.374 2.584 ( 0.544 1.432 2.062) 2.569 2.645 ( -1.744 -0.696 1.701) 2.533 2.951 ( 5.609 2.815 -0.315) 6.284 3.117 ( -0.382 -0.918 -14.373) 14.407 3.219 ( -0.955 0.004 9.061) 9.111 3.312 ( -2.077 -1.207 2.951) 3.805 3.697 ( 4.077 1.556 -2.629) 5.095 4.140 ( -2.602 -6.549 0.427) 7.060 4.256 ( -13.102 -0.970 -1.079) 13.182 4.732 ( 1.065 0.662 4.094) 4.282 4.790 ( 1.129 0.919 -0.186) 1.467 5.051 ( -0.055 -3.081 -2.470) 3.949 5.107 ( -4.771 -0.826 -4.858) 6.859 5.723 ( 2.142 1.631 -2.234) 3.498 5.796 ( -0.360 -0.608 -1.428) 1.593 5.883 ( 0.042 -0.036 -4.816) 4.816 5.993 ( -0.245 -0.938 -3.322) 3.461 6.132 ( 7.675 2.761 -0.449) 8.169 6.248 ( 0.739 0.530 0.859) 1.251 6.419 ( -0.474 -1.304 -5.925) 6.085 6.561 ( 4.975 1.938 4.536) 7.006 6.873 ( 6.872 4.937 -1.877) 8.667 7.007 ( 8.248 1.259 -2.004) 8.581 7.124 ( 3.129 7.217 2.056) 8.131 7.188 ( 2.715 7.402 0.733) 7.918 7.732 ( -6.627 -5.955 -3.644) 9.626 7.888 ( -1.998 -6.166 4.074) 7.656 7.962 ( -4.214 1.911 4.768) 6.644 8.113 ( -7.654 -4.885 -0.644) 9.103 8.250 ( -8.420 -6.178 5.909) 12.000 8.335 ( -5.165 -3.427 5.644) 8.383 8.455 ( 0.668 -1.279 -3.172) 3.484 8.636 ( 0.759 3.066 1.045) 3.327 9.014 ( 3.843 1.187 0.039) 4.022 9.046 ( 2.117 2.618 -2.075) 3.955 9.148 ( 5.392 -2.657 1.118) 6.115 9.256 ( -1.976 3.619 1.988) 4.578======================= Grid point 156 (51/75) =======================q-point: (-0.11 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.400 ( -8.600 -0.000 -16.472) 18.582 1.433 ( -9.584 -0.000 -14.075) 17.028 2.046 ( -11.292 -0.000 -4.218) 12.054 2.334 ( 3.715 0.000 5.603) 6.722 2.540 ( 5.184 0.000 3.164) 6.073 2.627 ( -1.344 -0.000 -4.208) 4.418 2.653 ( 0.338 0.000 5.746) 5.755 2.845 ( -6.379 -0.000 -20.339) 21.316 2.925 ( 4.746 -0.000 -5.736) 7.445 3.317 ( 0.856 0.000 4.524) 4.604 3.358 ( -1.074 0.000 3.877) 4.023 3.660 ( 2.766 -0.000 -3.653) 4.582 4.113 ( -1.365 0.000 1.608) 2.110 4.247 ( -10.862 0.000 0.588) 10.878 4.773 ( 0.770 -0.000 -1.271) 1.486 4.832 ( 2.294 0.000 6.602) 6.990 5.025 ( -2.589 0.000 2.328) 3.482 5.050 ( -5.364 -0.000 -2.227) 5.808 5.723 ( 3.349 -0.000 0.002) 3.349 5.787 ( -0.808 0.000 1.433) 1.646 5.833 ( -1.533 -0.000 -2.492) 2.926 5.966 ( -0.493 0.000 0.280) 0.567 6.136 ( 6.188 -0.000 -2.360) 6.623 6.243 ( 1.580 -0.000 -1.347) 2.076 6.344 ( -2.094 -0.000 -2.702) 3.418 6.633 ( 6.824 0.000 4.493) 8.171 6.899 ( 9.642 -0.000 -1.540) 9.764 6.974 ( 7.564 -0.000 -2.459) 7.953 7.208 ( 2.676 0.000 1.996) 3.339 7.268 ( 3.918 -0.000 0.764) 3.992 7.632 ( -8.840 -0.000 -3.337) 9.448 7.856 ( -0.657 -0.000 -2.069) 2.171 8.024 ( -7.162 -0.000 -3.613) 8.022 8.051 ( -4.931 0.000 2.273) 5.429 8.286 ( -4.984 0.000 5.972) 7.778 8.367 ( -1.261 -0.000 -1.305) 1.815 8.412 ( -6.700 0.000 1.949) 6.978 8.677 ( 1.245 0.000 2.511) 2.803 9.015 ( 2.708 -0.000 -0.647) 2.784 9.051 ( 0.610 -0.000 -0.665) 0.903 9.147 ( 8.440 -0.000 1.762) 8.622 9.321 ( -1.259 0.000 3.229) 3.466======================= Grid point 164 (52/75) =======================q-point: (-0.22 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.332 ( -4.462 -4.462 -16.971) 18.107 1.376 ( -7.306 -7.306 -17.276) 20.129 1.956 ( -6.776 -6.776 -6.002) 11.307 2.360 ( 1.472 1.472 5.060) 5.472 2.592 ( 2.026 2.026 3.895) 4.835 2.598 ( 0.974 0.974 -1.791) 2.259 2.667 ( -0.785 -0.785 5.368) 5.481 2.796 ( -3.565 -3.565 -24.087) 24.609 2.963 ( 3.258 3.258 -7.348) 8.673 3.318 ( 0.612 0.612 5.353) 5.423 3.351 ( -1.428 -1.428 5.000) 5.393 3.683 ( 1.624 1.624 -5.011) 5.513 4.130 ( -2.856 -2.856 3.065) 5.070 4.142 ( -3.408 -3.408 1.930) 5.192 4.779 ( 0.206 0.206 -3.029) 3.043 4.851 ( 1.879 1.879 8.359) 8.771 4.999 ( -2.700 -2.700 -2.197) 4.405 5.014 ( -3.055 -3.055 0.645) 4.369 5.740 ( 2.337 2.337 0.183) 3.310 5.792 ( -0.690 -0.690 1.930) 2.163 5.819 ( -0.883 -0.883 -3.191) 3.426 5.962 ( -0.889 -0.889 0.079) 1.260 6.162 ( 2.220 2.220 -6.358) 7.091 6.277 ( 0.666 0.666 1.272) 1.583 6.320 ( -2.141 -2.141 -2.944) 4.223 6.688 ( 2.280 2.280 6.061) 6.865 6.962 ( 11.086 11.086 -3.363) 16.034 7.104 ( 4.407 4.407 -0.387) 6.245 7.189 ( 6.117 6.117 0.457) 8.663 7.254 ( 4.839 4.839 1.659) 7.042 7.576 ( -7.536 -7.536 -4.275) 11.483 7.913 ( -0.001 -0.001 -4.745) 4.745 7.926 ( -2.820 -2.820 1.384) 4.222 8.022 ( -5.719 -5.719 0.907) 8.138 8.216 ( -10.076 -10.076 9.665) 17.218 8.341 ( -2.712 -2.712 3.682) 5.317 8.396 ( -0.260 -0.260 -5.572) 5.584 8.691 ( 2.851 2.851 2.177) 4.582 9.041 ( 1.624 1.624 -1.192) 2.588 9.041 ( 1.442 1.442 -0.555) 2.114 9.255 ( 0.621 0.621 2.110) 2.285 9.267 ( 1.551 1.551 4.048) 4.604======================= Grid point 165 (53/75) =======================q-point: (-0.11 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( -7.159 -0.000 -20.702) 21.905 1.065 ( -10.226 -0.000 -19.744) 22.235 1.751 ( -12.221 -0.000 -18.572) 22.233 2.390 ( -1.036 -0.000 -21.419) 21.444 2.447 ( 0.961 0.000 5.803) 5.882 2.614 ( 2.011 0.000 0.580) 2.093 2.644 ( -2.473 0.000 -0.379) 2.502 2.757 ( 1.098 0.000 6.048) 6.147 2.879 ( 1.922 -0.000 -7.372) 7.618 3.372 ( 1.669 0.000 1.331) 2.134 3.388 ( -0.579 0.000 2.207) 2.281 3.631 ( 0.237 -0.000 -2.770) 2.781 4.144 ( 0.210 0.000 3.009) 3.016 4.176 ( -4.448 0.000 3.205) 5.482 4.713 ( -0.832 -0.000 -6.348) 6.402 4.941 ( 0.893 0.000 3.102) 3.228 4.975 ( -3.905 0.000 0.728) 3.973 5.053 ( -1.890 0.000 8.461) 8.669 5.751 ( -0.169 -0.000 -1.973) 1.980 5.815 ( 1.493 0.000 3.281) 3.604 5.827 ( 0.187 0.000 4.580) 4.583 5.971 ( -0.992 0.000 1.955) 2.192 6.048 ( -2.722 -0.000 -9.321) 9.711 6.287 ( 2.532 0.000 1.150) 2.781 6.312 ( -1.171 0.000 0.838) 1.440 6.788 ( 3.534 0.000 6.844) 7.702 7.046 ( 14.394 -0.000 -2.610) 14.629 7.067 ( 10.587 -0.000 -2.114) 10.796 7.272 ( 3.261 0.000 1.195) 3.472 7.324 ( 3.275 -0.000 0.653) 3.339 7.463 ( -9.855 0.000 -2.119) 10.080 7.811 ( 3.430 -0.000 -7.125) 7.907 7.876 ( -2.998 -0.000 -7.054) 7.664 7.974 ( -8.229 0.000 -1.148) 8.309 8.294 ( -9.479 0.000 10.205) 13.928 8.310 ( -0.420 -0.000 -4.795) 4.814 8.373 ( -3.791 0.000 3.428) 5.111 8.749 ( 1.913 0.000 3.776) 4.233 9.043 ( 2.196 -0.000 0.086) 2.198 9.055 ( 0.577 0.000 0.366) 0.683 9.262 ( 4.673 -0.000 0.429) 4.693 9.344 ( -1.436 0.000 3.493) 3.776======================= Grid point 174 (54/75) =======================q-point: (-0.11 -0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( -0.000 -0.000 -24.036) 24.036 0.676 ( -0.000 -0.000 -24.036) 24.036 1.239 ( -0.000 -0.000 -39.644) 39.644 2.190 ( -0.000 -0.000 -8.041) 8.041 2.538 ( 0.000 0.000 6.242) 6.242 2.629 ( 0.000 0.000 0.023) 0.023 2.629 ( 0.000 0.000 0.023) 0.023 2.797 ( -0.000 -0.000 -5.918) 5.918 2.811 ( 0.000 0.000 0.531) 0.531 3.401 ( 0.000 0.000 0.472) 0.472 3.401 ( 0.000 0.000 0.472) 0.472 3.624 ( 0.000 0.000 2.417) 2.417 4.177 ( 0.000 0.000 1.485) 1.485 4.177 ( 0.000 0.000 1.485) 1.485 4.603 ( -0.000 -0.000 -8.407) 8.407 4.968 ( 0.000 0.000 2.088) 2.088 4.968 ( 0.000 0.000 2.088) 2.088 5.167 ( 0.000 0.000 7.950) 7.950 5.718 ( -0.000 -0.000 -1.289) 1.289 5.890 ( -0.000 -0.000 -8.776) 8.776 5.904 ( 0.000 0.000 5.707) 5.707 5.904 ( 0.000 0.000 5.707) 5.707 5.992 ( 0.000 0.000 2.090) 2.090 6.322 ( 0.000 0.000 1.481) 1.481 6.322 ( 0.000 0.000 1.481) 1.481 6.908 ( 0.000 0.000 7.461) 7.461 7.148 ( -0.000 -0.000 -0.990) 0.990 7.148 ( -0.000 -0.000 -0.990) 0.990 7.251 ( -0.000 -0.000 -4.094) 4.094 7.388 ( 0.000 0.000 2.177) 2.177 7.388 ( 0.000 0.000 2.177) 2.177 7.750 ( -0.000 -0.000 -8.666) 8.666 7.750 ( -0.000 -0.000 -8.666) 8.666 7.851 ( -0.000 -0.000 -2.712) 2.712 8.230 ( -0.000 -0.000 -5.720) 5.720 8.361 ( 0.000 0.000 10.402) 10.402 8.388 ( 0.000 0.000 2.145) 2.145 8.815 ( 0.000 0.000 4.668) 4.668 9.070 ( 0.000 0.000 0.865) 0.865 9.070 ( 0.000 0.000 0.865) 0.865 9.268 ( -0.000 -0.000 -2.461) 2.461 9.385 ( 0.000 0.000 2.754) 2.754======================= Grid point 196 (55/75) =======================q-point: ( 0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.933 ( 5.266 5.266 1.937) 7.695 1.991 ( 0.907 0.907 0.459) 1.362 2.322 ( 3.103 3.103 3.197) 5.429 2.366 ( 4.058 4.058 2.977) 6.465 2.449 ( -4.058 -4.058 0.186) 5.741 2.467 ( -2.151 -2.151 -0.807) 3.148 2.559 ( 0.321 0.321 -5.215) 5.235 2.633 ( -4.212 -4.212 -0.879) 6.022 3.247 ( 2.450 2.450 5.855) 6.803 3.278 ( -0.135 -0.135 4.045) 4.049 3.432 ( 1.831 1.831 -1.372) 2.931 3.493 ( -2.640 -2.640 -0.548) 3.774 4.571 ( 4.203 4.203 1.845) 6.223 4.648 ( -0.898 -0.898 1.323) 1.833 4.780 ( 9.216 9.216 -0.610) 13.047 4.896 ( 5.102 5.102 -2.911) 7.780 5.029 ( -6.552 -6.552 1.753) 9.430 5.060 ( -5.225 -5.225 -1.925) 7.636 5.591 ( -0.504 -0.504 -0.191) 0.737 5.638 ( -4.021 -4.021 -3.185) 6.518 5.891 ( 4.027 4.027 0.576) 5.724 5.930 ( -0.296 -0.296 -0.185) 0.457 5.960 ( 1.357 1.357 -4.227) 4.642 6.116 ( -8.153 -8.153 -2.731) 11.849 6.424 ( 3.432 3.432 -0.341) 4.865 6.461 ( 0.901 0.901 -0.689) 1.449 6.748 ( 1.427 1.427 4.445) 4.882 6.804 ( -3.091 -3.091 1.499) 4.622 6.851 ( -0.298 -0.298 -2.241) 2.280 6.893 ( -2.766 -2.766 -2.474) 4.629 8.017 ( 1.811 1.811 1.049) 2.768 8.044 ( 0.573 0.573 0.729) 1.090 8.228 ( 2.167 2.167 1.827) 3.567 8.275 ( -0.374 -0.374 0.680) 0.862 8.552 ( 4.394 4.394 2.693) 6.772 8.576 ( 2.044 2.044 5.371) 6.100 8.683 ( 3.689 3.689 -0.104) 5.217 8.755 ( -1.857 -1.857 -1.162) 2.872 8.851 ( -2.559 -2.559 1.840) 4.060 8.851 ( -2.674 -2.674 0.529) 3.819 9.013 ( -1.285 -1.285 -3.178) 3.661 9.015 ( -1.559 -1.559 -5.407) 5.840======================= Grid point 201 (56/75) =======================q-point: (-0.22 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.274 ( 19.994 -0.000 0.000) 19.994 1.365 ( 23.505 -0.000 0.000) 23.505 2.069 ( -1.077 0.000 -0.000) 1.077 2.324 ( 11.471 -0.000 0.000) 11.471 2.478 ( -4.027 0.000 -0.000) 4.027 2.599 ( 5.108 -0.000 0.000) 5.108 2.697 ( 8.039 -0.000 0.000) 8.039 2.702 ( -0.900 0.000 -0.000) 0.900 2.805 ( -1.361 0.000 -0.000) 1.361 3.059 ( -6.052 0.000 -0.000) 6.052 3.329 ( -2.886 0.000 -0.000) 2.886 3.618 ( -2.501 0.000 -0.000) 2.501 4.161 ( -3.655 0.000 -0.000) 3.655 4.486 ( 7.521 -0.000 0.000) 7.521 4.845 ( -3.656 0.000 -0.000) 3.656 4.882 ( 7.881 -0.000 0.000) 7.881 5.124 ( -8.507 0.000 -0.000) 8.507 5.297 ( 6.122 -0.000 0.000) 6.122 5.783 ( -1.720 0.000 -0.000) 1.720 5.958 ( 3.695 -0.000 0.000) 3.695 6.048 ( 0.243 -0.000 0.000) 0.243 6.078 ( 9.763 -0.000 0.000) 9.763 6.142 ( 1.018 -0.000 0.000) 1.018 6.319 ( 3.978 -0.000 0.000) 3.978 6.321 ( -2.286 0.000 -0.000) 2.286 6.516 ( 0.777 -0.000 0.000) 0.777 6.665 ( -3.900 0.000 -0.000) 3.900 6.938 ( -3.329 0.000 -0.000) 3.329 7.075 ( -1.698 0.000 -0.000) 1.698 7.217 ( -1.979 0.000 -0.000) 1.979 7.631 ( 1.777 -0.000 0.000) 1.777 7.801 ( 4.468 -0.000 0.000) 4.468 8.010 ( -5.006 0.000 -0.000) 5.006 8.139 ( -0.305 0.000 -0.000) 0.305 8.150 ( 14.482 -0.000 0.000) 14.482 8.171 ( -3.305 0.000 -0.000) 3.305 8.528 ( 2.386 -0.000 0.000) 2.386 8.648 ( -12.120 0.000 -0.000) 12.120 8.821 ( -8.577 0.000 -0.000) 8.577 9.043 ( 0.374 -0.000 0.000) 0.374 9.268 ( 1.733 -0.000 0.000) 1.733 9.464 ( -2.881 0.000 -0.000) 2.881======================= Grid point 211 (57/75) =======================q-point: (-0.33 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 15.310 -8.199 0.000) 17.367 1.698 ( 20.262 -4.819 0.000) 20.827 2.050 ( -1.902 -0.065 -0.000) 1.904 2.368 ( -1.494 -1.264 -0.000) 1.957 2.413 ( -4.645 1.483 -0.000) 4.876 2.582 ( -2.686 2.241 -0.000) 3.498 2.684 ( -1.183 0.754 -0.000) 1.402 2.749 ( -4.131 1.377 -0.000) 4.354 2.912 ( 9.771 -2.979 0.000) 10.215 2.990 ( -0.852 1.938 -0.000) 2.117 3.346 ( 4.562 -1.724 0.000) 4.877 3.589 ( -1.428 0.578 -0.000) 1.541 4.131 ( -3.411 -4.087 0.000) 5.323 4.594 ( 5.479 -0.433 0.000) 5.496 4.735 ( -9.606 1.339 -0.000) 9.699 4.967 ( -3.151 2.552 -0.000) 4.055 5.041 ( 5.916 -2.075 0.000) 6.270 5.357 ( 2.954 1.115 0.000) 3.157 5.795 ( 0.676 -2.495 0.000) 2.585 5.968 ( 1.908 2.989 -0.000) 3.546 6.045 ( 2.592 2.615 -0.000) 3.682 6.145 ( 1.865 0.827 0.000) 2.040 6.222 ( 2.923 -1.367 0.000) 3.227 6.266 ( -2.128 1.907 -0.000) 2.857 6.409 ( 5.964 -4.210 0.000) 7.300 6.578 ( 6.427 -1.461 0.000) 6.591 6.624 ( 0.527 2.055 -0.000) 2.121 6.895 ( -2.578 -0.353 -0.000) 2.602 7.031 ( -0.161 5.539 -0.000) 5.541 7.150 ( -0.040 6.883 -0.000) 6.883 7.666 ( 0.326 -2.857 0.000) 2.875 7.856 ( -0.320 -2.484 0.000) 2.505 7.918 ( -6.544 -0.679 -0.000) 6.580 8.135 ( -2.966 -2.112 -0.000) 3.641 8.185 ( 1.818 -2.910 0.000) 3.431 8.283 ( 0.849 -2.924 0.000) 3.045 8.498 ( -9.857 -0.953 -0.000) 9.903 8.627 ( 8.184 -2.557 0.000) 8.574 8.703 ( -7.040 0.550 -0.000) 7.061 9.035 ( 0.574 2.596 -0.000) 2.658 9.284 ( 0.376 -0.309 0.000) 0.487 9.407 ( -2.901 1.987 -0.000) 3.517======================= Grid point 212 (58/75) =======================q-point: (-0.22 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.548 ( 16.288 -0.000 3.339) 16.627 1.676 ( 18.378 -0.000 1.497) 18.439 2.082 ( -1.013 0.000 4.374) 4.490 2.326 ( -3.455 -0.000 -3.439) 4.875 2.458 ( -2.411 0.000 4.039) 4.704 2.580 ( -2.296 -0.000 -2.060) 3.085 2.687 ( -2.816 -0.000 -2.281) 3.624 2.740 ( -1.149 0.000 -0.001) 1.149 2.928 ( 7.537 0.000 4.745) 8.906 3.039 ( 0.382 0.000 4.272) 4.289 3.331 ( 3.553 -0.000 -0.237) 3.561 3.594 ( -0.512 0.000 0.505) 0.719 4.102 ( -3.701 0.000 -0.358) 3.718 4.595 ( 6.118 -0.000 0.540) 6.142 4.759 ( -11.402 0.000 1.852) 11.551 4.950 ( 1.709 -0.000 -4.632) 4.937 5.033 ( 0.660 0.000 0.501) 0.829 5.344 ( 3.247 -0.000 -2.724) 4.238 5.774 ( 0.798 -0.000 -0.523) 0.954 5.946 ( 1.827 -0.000 -5.387) 5.688 6.046 ( 3.455 -0.000 -3.221) 4.723 6.120 ( 1.504 -0.000 -5.199) 5.413 6.202 ( 1.768 -0.000 -3.378) 3.812 6.243 ( 2.737 -0.000 -2.466) 3.684 6.379 ( 3.343 -0.000 0.617) 3.400 6.554 ( 2.901 -0.000 -2.110) 3.587 6.653 ( 2.088 0.000 2.384) 3.169 6.905 ( -1.126 0.000 1.421) 1.813 7.083 ( 0.528 0.000 1.516) 1.605 7.191 ( -0.351 -0.000 -1.184) 1.235 7.690 ( -0.016 0.000 5.738) 5.738 7.833 ( 1.123 -0.000 -0.861) 1.415 7.942 ( -8.703 0.000 4.786) 9.932 8.128 ( -1.025 0.000 1.099) 1.503 8.154 ( 0.471 -0.000 -0.292) 0.555 8.305 ( -1.822 0.000 4.845) 5.176 8.501 ( -7.742 0.000 0.841) 7.788 8.622 ( 8.559 0.000 2.598) 8.945 8.711 ( -7.221 0.000 0.478) 7.237 9.050 ( 0.905 -0.000 -0.352) 0.971 9.262 ( 0.566 -0.000 -2.838) 2.894 9.401 ( -3.088 -0.000 -2.864) 4.211======================= Grid point 220 (59/75) =======================q-point: (-0.44 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.859 ( 8.707 -7.308 0.000) 11.367 2.002 ( -1.934 1.507 -0.000) 2.452 2.023 ( 13.253 -6.174 0.000) 14.621 2.271 ( -6.707 7.680 -0.000) 10.197 2.394 ( 0.318 -3.689 0.000) 3.702 2.487 ( -5.452 3.086 -0.000) 6.265 2.661 ( -0.694 -0.099 -0.000) 0.701 2.680 ( -3.182 0.219 -0.000) 3.189 2.984 ( 0.078 -1.020 0.000) 1.023 2.993 ( -0.248 -1.169 0.000) 1.195 3.464 ( 8.233 -0.397 0.000) 8.242 3.551 ( -0.191 4.095 -0.000) 4.099 4.222 ( 0.799 -12.598 0.000) 12.624 4.459 ( -15.658 3.642 -0.000) 16.076 4.748 ( 4.723 -3.155 0.000) 5.680 4.857 ( -3.943 4.200 -0.000) 5.761 5.204 ( 9.524 -2.655 0.000) 9.887 5.331 ( -0.789 5.060 -0.000) 5.121 5.855 ( 2.417 -2.942 0.000) 3.807 5.927 ( -1.698 3.070 -0.000) 3.508 6.065 ( 5.240 2.064 0.000) 5.632 6.125 ( -1.112 3.745 -0.000) 3.907 6.218 ( 2.865 0.681 0.000) 2.945 6.255 ( 0.817 2.780 -0.000) 2.898 6.535 ( 3.079 -3.971 0.000) 5.025 6.603 ( -0.194 2.752 -0.000) 2.759 6.722 ( 9.423 -3.324 0.000) 9.992 6.873 ( -2.407 3.897 -0.000) 4.581 6.955 ( 4.204 3.391 0.000) 5.401 7.045 ( 0.174 8.638 -0.000) 8.640 7.716 ( 0.049 -4.275 0.000) 4.276 7.788 ( -7.014 -0.436 -0.000) 7.028 7.964 ( 1.660 -6.105 0.000) 6.327 8.079 ( -7.589 0.164 -0.000) 7.591 8.260 ( -2.607 -7.596 0.000) 8.031 8.301 ( -6.056 -5.542 -0.000) 8.209 8.444 ( -0.914 -3.553 0.000) 3.668 8.551 ( -6.788 3.819 -0.000) 7.788 8.830 ( 10.413 -3.047 0.000) 10.850 8.974 ( -0.945 6.528 -0.000) 6.596 9.299 ( 0.695 -1.424 0.000) 1.585 9.344 ( -2.391 1.874 -0.000) 3.038======================= Grid point 221 (60/75) =======================q-point: (-0.33 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( 10.898 -4.882 0.896) 11.975 1.902 ( 10.648 -2.670 -3.507) 11.524 2.082 ( 1.379 -0.482 4.788) 5.005 2.293 ( -2.306 -0.167 -1.712) 2.876 2.411 ( -3.346 0.536 3.554) 4.911 2.521 ( -4.681 1.019 0.107) 4.792 2.641 ( -2.410 0.576 -3.727) 4.476 2.708 ( -1.772 1.888 3.229) 4.139 2.934 ( -3.648 -2.122 1.058) 4.351 3.077 ( 2.007 0.140 8.175) 8.419 3.428 ( 7.988 0.589 -4.902) 9.391 3.608 ( 3.353 1.000 2.564) 4.338 4.097 ( -1.805 -6.383 0.770) 6.677 4.507 ( -16.064 2.883 -0.203) 16.322 4.713 ( 3.971 -2.320 0.876) 4.682 4.893 ( -3.373 2.887 -2.485) 5.088 5.149 ( 8.037 -3.139 -1.955) 8.847 5.354 ( -0.605 1.415 -2.959) 3.335 5.804 ( 1.725 -1.460 -1.332) 2.623 5.947 ( -0.656 0.861 -2.423) 2.654 6.085 ( 3.965 1.375 -2.263) 4.768 6.132 ( 0.905 1.441 -3.782) 4.147 6.184 ( 2.625 2.937 -5.825) 7.032 6.305 ( 3.012 1.575 -0.599) 3.452 6.434 ( 1.737 -3.596 -3.284) 5.170 6.604 ( 2.270 -0.105 -3.619) 4.273 6.714 ( 6.987 -0.730 3.103) 7.680 6.915 ( 3.974 1.424 2.734) 5.030 7.043 ( 1.086 6.748 0.665) 6.867 7.156 ( 1.703 6.723 -0.480) 6.952 7.700 ( -0.664 -2.259 4.252) 4.860 7.803 ( -6.109 -1.543 3.718) 7.317 7.888 ( -3.067 -3.771 -0.455) 4.882 8.107 ( -4.221 -1.771 4.700) 6.560 8.160 ( -5.855 -5.541 -0.080) 8.061 8.245 ( -8.297 -3.724 1.730) 9.258 8.437 ( -0.664 -0.610 2.227) 2.402 8.605 ( -5.423 2.375 1.337) 6.069 8.801 ( 11.683 -2.193 1.531) 11.985 9.041 ( 0.261 2.921 0.263) 2.944 9.265 ( -0.072 -0.602 -2.751) 2.817 9.349 ( -2.742 1.560 -2.572) 4.070======================= Grid point 222 (61/75) =======================q-point: (-0.22 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 7.614 -0.000 -0.605) 7.638 1.857 ( 8.863 -0.000 -0.931) 8.912 2.090 ( -3.486 -0.000 -1.809) 3.927 2.309 ( 4.613 0.000 3.562) 5.828 2.420 ( -7.734 -0.000 -2.747) 8.207 2.549 ( -2.053 0.000 2.613) 3.323 2.604 ( -1.716 -0.000 -0.605) 1.819 2.785 ( 1.050 0.000 5.132) 5.238 2.978 ( -5.052 0.000 7.606) 9.131 3.179 ( 4.749 0.000 5.174) 7.023 3.360 ( 3.808 -0.000 -4.699) 6.048 3.644 ( 4.999 0.000 1.714) 5.285 4.073 ( -2.084 0.000 1.958) 2.860 4.514 ( -15.798 0.000 -1.471) 15.867 4.719 ( 1.340 0.000 1.946) 2.363 4.857 ( -2.698 -0.000 -5.391) 6.029 5.086 ( 6.435 -0.000 -3.671) 7.409 5.305 ( -1.322 -0.000 -5.080) 5.249 5.782 ( 2.025 -0.000 -1.659) 2.618 5.896 ( 0.305 -0.000 -4.750) 4.760 6.019 ( 3.053 -0.000 -6.773) 7.429 6.082 ( 4.981 -0.000 -4.713) 6.857 6.134 ( 2.358 -0.000 -6.503) 6.917 6.260 ( 1.433 -0.000 -2.779) 3.127 6.426 ( 1.891 0.000 2.162) 2.873 6.541 ( 2.719 -0.000 -4.415) 5.186 6.759 ( 5.584 0.000 3.740) 6.720 6.965 ( 5.570 0.000 1.900) 5.885 7.117 ( 1.198 0.000 1.392) 1.837 7.187 ( 2.222 -0.000 -0.727) 2.338 7.752 ( -2.043 0.000 4.548) 4.986 7.814 ( -4.191 0.000 0.778) 4.263 7.901 ( -6.862 0.000 5.100) 8.550 8.127 ( -7.187 0.000 3.357) 7.932 8.157 ( 0.191 0.000 3.133) 3.139 8.260 ( -10.877 0.000 3.973) 11.580 8.460 ( -0.953 0.000 1.392) 1.687 8.644 ( -4.112 0.000 1.841) 4.506 8.822 ( 11.742 0.000 3.617) 12.286 9.059 ( 1.366 -0.000 -0.434) 1.433 9.212 ( -0.442 -0.000 -4.434) 4.456 9.321 ( -2.379 -0.000 -3.006) 3.834======================= Grid point 229 (62/75) =======================q-point: ( 0.56 -0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( -0.116 -0.116 -4.331) 4.334 1.978 ( 2.120 2.120 0.249) 3.009 2.157 ( -1.011 -1.011 -0.767) 1.622 2.223 ( 1.179 1.179 2.333) 2.868 2.418 ( 0.233 0.233 1.624) 1.657 2.447 ( -2.019 -2.019 3.949) 4.873 2.620 ( -1.021 -1.021 -3.128) 3.446 2.674 ( -0.058 -0.058 2.912) 2.913 2.926 ( -3.124 -3.124 0.407) 4.436 3.086 ( -0.191 -0.191 8.926) 8.930 3.478 ( 3.591 3.591 -6.902) 8.569 3.629 ( 4.220 4.220 3.861) 7.108 4.240 ( -6.358 -6.358 0.105) 8.993 4.259 ( -6.158 -6.158 1.108) 8.779 4.800 ( 1.161 1.161 -0.956) 1.900 4.808 ( -0.115 -0.115 -1.228) 1.238 5.270 ( 1.029 1.029 -3.913) 4.175 5.299 ( 0.407 0.407 -1.735) 1.828 5.835 ( 0.493 0.493 -3.944) 4.005 5.927 ( -1.073 -1.073 0.999) 1.817 6.108 ( 2.814 2.814 -2.092) 4.496 6.117 ( 2.234 2.234 -1.967) 3.722 6.192 ( 3.093 3.093 -7.268) 8.483 6.303 ( 2.600 2.600 0.948) 3.797 6.485 ( -0.755 -0.755 -6.983) 7.065 6.603 ( 0.082 0.082 -0.377) 0.395 6.829 ( 3.415 3.415 -0.252) 4.836 6.888 ( 4.488 4.488 3.052) 7.043 7.054 ( 5.535 5.535 0.257) 7.833 7.061 ( 5.296 5.296 0.895) 7.543 7.721 ( -1.587 -1.587 2.995) 3.743 7.768 ( -3.127 -3.127 4.773) 6.507 7.904 ( -5.331 -5.331 -2.925) 8.087 8.062 ( -3.559 -3.559 7.034) 8.649 8.173 ( -8.883 -8.883 0.033) 12.563 8.207 ( -8.176 -8.176 2.206) 11.772 8.483 ( 0.278 0.278 0.684) 0.789 8.510 ( 1.129 1.129 2.725) 3.158 8.947 ( 2.930 2.930 0.017) 4.143 8.978 ( 3.222 3.222 1.960) 4.961 9.286 ( -0.360 -0.360 -3.254) 3.293 9.299 ( -0.517 -0.517 -2.148) 2.269======================= Grid point 231 (63/75) =======================q-point: (-0.33 -0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.824 ( 1.792 -0.737 -6.021) 6.325 1.947 ( 1.476 -1.480 -6.372) 6.706 2.107 ( 2.776 -4.717 1.305) 5.626 2.259 ( -8.960 2.482 -0.259) 9.301 2.419 ( 4.972 -1.408 0.127) 5.169 2.516 ( -1.840 1.454 3.946) 4.590 2.585 ( -1.406 -0.671 0.260) 1.580 2.776 ( 1.141 2.943 8.292) 8.872 2.937 ( -3.847 -3.153 8.207) 9.597 3.200 ( 0.193 0.406 6.698) 6.713 3.416 ( 4.883 1.993 -8.069) 9.640 3.712 ( 5.832 2.337 1.471) 6.452 4.102 ( -0.889 -8.428 1.793) 8.662 4.280 ( -15.794 0.948 -0.263) 15.824 4.751 ( 0.871 -1.394 -2.333) 2.854 4.817 ( -0.635 1.809 -2.325) 3.014 5.178 ( 3.661 -2.560 -5.440) 7.039 5.265 ( -3.409 0.670 -5.595) 6.586 5.801 ( 1.797 0.978 -2.613) 3.319 5.892 ( -1.501 -1.009 -3.483) 3.925 6.055 ( 0.758 -0.852 -7.024) 7.116 6.110 ( 1.777 0.987 -2.551) 3.262 6.176 ( 5.826 4.222 -4.073) 8.268 6.275 ( 0.132 -0.554 -5.271) 5.302 6.453 ( 3.014 0.941 2.550) 4.058 6.575 ( 1.573 0.255 -4.263) 4.551 6.856 ( 8.896 0.489 1.979) 9.126 7.025 ( 4.105 7.554 2.250) 8.887 7.092 ( 6.800 3.020 0.116) 7.442 7.182 ( 2.591 7.278 -0.192) 7.728 7.741 ( -3.142 -4.416 2.825) 6.112 7.782 ( -3.501 -2.857 3.394) 5.651 7.833 ( -5.222 -1.786 2.346) 5.997 8.069 ( -9.207 -7.940 3.562) 12.669 8.106 ( -9.709 -2.547 4.113) 10.848 8.169 ( -5.579 -4.564 5.799) 9.252 8.483 ( 2.235 -0.680 0.651) 2.425 8.591 ( -0.428 3.044 2.691) 4.086 8.964 ( 7.538 -0.241 2.358) 7.902 9.058 ( 1.392 2.952 1.187) 3.473 9.217 ( 0.506 -1.304 -4.352) 4.571 9.273 ( -2.812 1.375 -2.905) 4.271======================= Grid point 232 (64/75) =======================q-point: (-0.22 -0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.727 ( -0.475 -0.000 -8.067) 8.081 1.795 ( -3.638 -0.000 -12.016) 12.554 2.096 ( -1.085 0.000 1.275) 1.674 2.263 ( -4.299 0.000 -1.130) 4.445 2.424 ( 4.335 0.000 2.602) 5.056 2.562 ( -0.084 0.000 2.021) 2.022 2.611 ( -2.755 0.000 3.067) 4.122 2.914 ( 5.058 0.000 7.747) 9.252 3.064 ( -2.536 0.000 12.312) 12.570 3.245 ( 0.526 -0.000 -2.007) 2.075 3.319 ( 2.200 -0.000 -6.535) 6.896 3.731 ( 6.035 -0.000 -0.725) 6.079 4.075 ( -2.988 0.000 2.133) 3.671 4.269 ( -15.572 0.000 -1.611) 15.655 4.716 ( -1.432 -0.000 -1.063) 1.783 4.804 ( 1.987 -0.000 -1.039) 2.242 5.084 ( 2.336 -0.000 -5.233) 5.731 5.182 ( -4.270 -0.000 -6.552) 7.821 5.775 ( 1.974 -0.000 -2.959) 3.557 5.828 ( -0.773 -0.000 -4.080) 4.152 5.955 ( 0.773 -0.000 -6.300) 6.347 6.051 ( -0.435 -0.000 -5.916) 5.932 6.157 ( 8.532 -0.000 -1.504) 8.663 6.247 ( 0.094 0.000 0.072) 0.118 6.494 ( 3.159 -0.000 -4.259) 5.303 6.518 ( 2.424 0.000 1.998) 3.141 6.891 ( 8.950 -0.000 1.977) 9.165 7.060 ( 8.226 -0.000 -2.713) 8.662 7.156 ( 2.217 0.000 1.774) 2.839 7.238 ( 4.236 -0.000 1.156) 4.391 7.725 ( -5.189 -0.000 -2.362) 5.701 7.760 ( -6.946 0.000 4.986) 8.550 7.919 ( -2.256 0.000 6.229) 6.625 8.057 ( -9.281 0.000 2.610) 9.641 8.137 ( -11.000 0.000 4.374) 11.837 8.226 ( -3.917 0.000 6.516) 7.603 8.476 ( 1.609 -0.000 -1.080) 1.938 8.644 ( 0.488 0.000 1.662) 1.732 9.004 ( 7.354 0.000 2.838) 7.882 9.084 ( 3.515 -0.000 0.049) 3.515 9.145 ( -0.125 -0.000 -4.297) 4.298 9.263 ( -2.953 0.000 -0.086) 2.954======================= Grid point 240 (65/75) =======================q-point: (-0.33 -0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.716 ( 0.077 0.077 -11.214) 11.214 1.784 ( -3.544 -3.544 -12.709) 13.662 2.069 ( -6.003 -6.003 -3.849) 9.321 2.247 ( 2.224 2.224 4.895) 5.818 2.462 ( 1.865 1.865 0.694) 2.727 2.555 ( 0.021 0.021 3.293) 3.293 2.588 ( -1.823 -1.823 2.599) 3.661 2.954 ( 4.014 4.014 10.347) 11.802 3.048 ( -1.543 -1.543 12.707) 12.893 3.232 ( -1.486 -1.486 -1.023) 2.337 3.351 ( 2.817 2.817 -10.381) 11.120 3.783 ( 4.075 4.075 -1.370) 5.923 4.088 ( -5.651 -5.651 0.789) 8.031 4.114 ( -5.840 -5.840 0.286) 8.264 4.705 ( -0.495 -0.495 -0.684) 0.978 4.820 ( 1.437 1.437 -0.666) 2.139 5.115 ( -0.565 -0.565 -6.530) 6.578 5.137 ( -1.985 -1.985 -6.723) 7.286 5.785 ( 1.657 1.657 -3.065) 3.858 5.826 ( -0.924 -0.924 -3.502) 3.738 5.961 ( -0.384 -0.384 -6.674) 6.696 6.050 ( -0.472 -0.472 -6.232) 6.268 6.214 ( 3.139 3.139 -0.500) 4.468 6.244 ( 0.480 0.480 0.044) 0.681 6.515 ( 0.522 0.522 -7.708) 7.743 6.543 ( 1.915 1.915 4.754) 5.471 6.999 ( 7.939 7.939 0.817) 11.257 7.093 ( 4.321 4.321 1.246) 6.236 7.197 ( 5.931 5.931 -1.393) 8.503 7.222 ( 5.262 5.262 0.702) 7.475 7.703 ( -6.358 -6.358 -2.903) 9.448 7.722 ( -6.567 -6.567 6.059) 11.089 7.880 ( 1.082 1.082 5.799) 5.997 8.003 ( -6.915 -6.915 1.578) 9.905 8.041 ( -7.609 -7.609 6.500) 12.571 8.203 ( -3.254 -3.254 6.519) 7.979 8.491 ( 0.070 0.070 -1.410) 1.413 8.648 ( 2.774 2.774 2.064) 4.433 9.054 ( 2.835 2.835 1.276) 4.207 9.103 ( 2.455 2.455 -1.002) 3.614 9.186 ( -0.042 -0.042 -0.246) 0.253 9.204 ( -1.694 -1.694 -0.907) 2.562======================= Grid point 241 (66/75) =======================q-point: (-0.22 -0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.541 ( -3.125 -0.000 -15.474) 15.786 1.545 ( -3.814 -0.000 -16.177) 16.620 1.976 ( -7.037 -0.000 -3.883) 8.037 2.316 ( 2.449 0.000 3.364) 4.162 2.528 ( 2.762 0.000 6.443) 7.010 2.594 ( -0.271 0.000 2.656) 2.669 2.607 ( -2.027 0.000 1.882) 2.766 3.044 ( 4.022 -0.000 -7.000) 8.074 3.131 ( 2.975 -0.000 -14.828) 15.124 3.208 ( -0.703 0.000 11.079) 11.101 3.259 ( -4.027 0.000 3.026) 5.037 3.769 ( 4.157 -0.000 -4.747) 6.309 4.056 ( -2.521 0.000 2.468) 3.528 4.098 ( -8.395 0.000 1.692) 8.563 4.749 ( 0.754 0.000 6.882) 6.923 4.816 ( 1.284 -0.000 -1.601) 2.052 5.022 ( -0.682 -0.000 -4.867) 4.915 5.041 ( -3.480 -0.000 -5.616) 6.606 5.767 ( 1.606 -0.000 -1.552) 2.233 5.781 ( -0.314 -0.000 -1.531) 1.563 5.875 ( -0.632 -0.000 -5.528) 5.564 5.976 ( -0.689 -0.000 -3.394) 3.463 6.236 ( 4.043 -0.000 -0.030) 4.043 6.260 ( 0.592 0.000 0.982) 1.147 6.387 ( -1.977 -0.000 -9.786) 9.983 6.624 ( 2.306 0.000 5.377) 5.850 7.065 ( 12.301 -0.000 0.837) 12.329 7.123 ( 6.104 -0.000 -1.784) 6.359 7.233 ( 6.639 -0.000 1.128) 6.734 7.306 ( 3.226 -0.000 0.852) 3.336 7.575 ( -8.442 -0.000 -5.157) 9.893 7.796 ( -2.470 0.000 10.013) 10.313 7.944 ( -6.783 0.000 1.790) 7.015 7.976 ( -1.728 0.000 1.015) 2.004 8.048 ( -10.927 0.000 4.015) 11.641 8.259 ( -2.905 0.000 5.285) 6.031 8.456 ( 0.273 -0.000 -3.603) 3.613 8.694 ( 3.060 0.000 1.401) 3.366 9.066 ( 2.871 -0.000 -1.789) 3.383 9.088 ( 0.618 -0.000 -3.222) 3.281 9.187 ( 3.619 0.000 4.127) 5.489 9.244 ( -2.923 0.000 3.570) 4.614======================= Grid point 250 (67/75) =======================q-point: (-0.22 -0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( -0.000 -0.000 -19.746) 19.746 1.271 ( -0.000 -0.000 -19.746) 19.746 1.852 ( -0.000 -0.000 -7.945) 7.945 2.381 ( 0.000 0.000 4.534) 4.534 2.614 ( 0.000 0.000 1.267) 1.267 2.614 ( 0.000 0.000 1.267) 1.267 2.662 ( 0.000 0.000 8.780) 8.780 2.743 ( -0.000 -0.000 -28.716) 28.716 3.016 ( -0.000 -0.000 -10.151) 10.151 3.324 ( 0.000 0.000 6.554) 6.554 3.324 ( 0.000 0.000 6.554) 6.554 3.709 ( -0.000 -0.000 -6.967) 6.967 4.092 ( 0.000 0.000 4.354) 4.354 4.092 ( 0.000 0.000 4.354) 4.354 4.783 ( -0.000 -0.000 -4.319) 4.319 4.888 ( 0.000 0.000 11.250) 11.250 4.959 ( -0.000 -0.000 -2.583) 2.583 4.959 ( -0.000 -0.000 -2.583) 2.583 5.782 ( 0.000 0.000 1.931) 1.931 5.782 ( 0.000 0.000 1.931) 1.931 5.798 ( -0.000 -0.000 -4.618) 4.618 5.949 ( -0.000 -0.000 -0.036) 0.036 6.194 ( -0.000 -0.000 -12.989) 12.989 6.285 ( 0.000 0.000 1.469) 1.469 6.285 ( 0.000 0.000 1.469) 1.469 6.717 ( 0.000 0.000 6.240) 6.240 7.162 ( 0.000 0.000 0.020) 0.020 7.162 ( 0.000 0.000 0.020) 0.020 7.345 ( 0.000 0.000 1.173) 1.173 7.345 ( 0.000 0.000 1.173) 1.173 7.398 ( -0.000 -0.000 -6.374) 6.374 7.893 ( -0.000 -0.000 -0.213) 0.213 7.946 ( -0.000 -0.000 -4.220) 4.220 7.946 ( -0.000 -0.000 -4.220) 4.220 7.978 ( 0.000 0.000 16.117) 16.117 8.302 ( 0.000 0.000 4.228) 4.228 8.396 ( -0.000 -0.000 -5.479) 5.479 8.739 ( 0.000 0.000 1.648) 1.648 9.064 ( -0.000 -0.000 -1.065) 1.065 9.064 ( -0.000 -0.000 -1.065) 1.065 9.257 ( 0.000 0.000 3.299) 3.299 9.288 ( 0.000 0.000 4.181) 4.181======================= Grid point 300 (68/75) =======================q-point: (-0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 13.965 -0.000 0.000) 13.965 1.919 ( 16.434 -0.000 0.000) 16.434 2.031 ( -0.910 0.000 -0.000) 0.910 2.334 ( -1.984 0.000 -0.000) 1.984 2.355 ( -5.055 0.000 -0.000) 5.055 2.539 ( -5.743 0.000 -0.000) 5.743 2.672 ( -2.236 0.000 -0.000) 2.236 2.700 ( -3.408 0.000 -0.000) 3.408 2.938 ( -1.312 0.000 -0.000) 1.312 2.989 ( -1.320 0.000 -0.000) 1.320 3.477 ( 13.412 -0.000 0.000) 13.412 3.589 ( 1.285 -0.000 0.000) 1.285 4.049 ( -3.829 0.000 -0.000) 3.829 4.536 ( -17.569 0.000 -0.000) 17.569 4.683 ( 6.193 -0.000 0.000) 6.193 4.936 ( -4.093 0.000 -0.000) 4.093 5.136 ( 9.213 -0.000 0.000) 9.213 5.386 ( -0.117 0.000 -0.000) 0.117 5.790 ( 1.609 -0.000 0.000) 1.609 5.976 ( -2.723 0.000 -0.000) 2.723 6.118 ( 4.250 -0.000 0.000) 4.250 6.178 ( 2.340 -0.000 0.000) 2.340 6.234 ( -0.628 0.000 -0.000) 0.628 6.344 ( 8.467 -0.000 0.000) 8.467 6.407 ( -0.053 0.000 -0.000) 0.053 6.643 ( -0.074 0.000 -0.000) 0.074 6.675 ( 9.558 -0.000 0.000) 9.558 6.901 ( 4.580 -0.000 0.000) 4.580 7.092 ( 1.644 -0.000 0.000) 1.644 7.209 ( 1.716 -0.000 0.000) 1.716 7.651 ( 0.213 -0.000 0.000) 0.213 7.769 ( -7.997 0.000 -0.000) 7.997 7.859 ( -1.227 0.000 -0.000) 1.227 8.052 ( -5.735 0.000 -0.000) 5.735 8.139 ( -7.465 0.000 -0.000) 7.465 8.201 ( -8.593 0.000 -0.000) 8.593 8.418 ( -0.131 0.000 -0.000) 0.131 8.612 ( -5.292 0.000 -0.000) 5.292 8.774 ( 12.495 -0.000 0.000) 12.495 9.059 ( 0.282 -0.000 0.000) 0.282 9.279 ( -0.482 0.000 -0.000) 0.482 9.378 ( -3.211 0.000 -0.000) 3.211======================= Grid point 309 (69/75) =======================q-point: (-0.44 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( 9.125 -2.199 0.000) 9.386 2.011 ( -0.284 2.737 -0.000) 2.751 2.121 ( 9.464 -3.337 0.000) 10.035 2.261 ( -5.143 3.128 -0.000) 6.019 2.344 ( -0.404 -3.922 0.000) 3.943 2.436 ( -7.113 1.600 -0.000) 7.291 2.641 ( -1.276 -0.652 -0.000) 1.433 2.661 ( -0.853 1.918 -0.000) 2.100 2.931 ( -2.197 -3.328 0.000) 3.987 2.961 ( -3.143 -0.476 -0.000) 3.179 3.605 ( 7.683 3.234 0.000) 8.335 3.625 ( 5.228 2.923 0.000) 5.989 4.076 ( -0.112 -9.616 0.000) 9.617 4.281 ( -16.317 2.396 -0.000) 16.492 4.774 ( 4.649 -2.230 0.000) 5.156 4.864 ( -3.175 3.055 -0.000) 4.406 5.262 ( 5.681 -2.839 0.000) 6.351 5.352 ( -2.622 2.124 -0.000) 3.374 5.838 ( 1.887 -3.245 0.000) 3.754 5.915 ( -4.348 1.390 -0.000) 4.565 6.156 ( 3.659 1.710 0.000) 4.039 6.182 ( 1.869 3.603 -0.000) 4.059 6.265 ( 3.326 -1.614 0.000) 3.697 6.332 ( 0.625 5.179 -0.000) 5.216 6.506 ( 3.427 -5.452 0.000) 6.440 6.604 ( -3.580 1.837 -0.000) 4.024 6.833 ( 12.020 -0.899 0.000) 12.054 6.968 ( 5.422 7.564 -0.000) 9.307 7.079 ( 6.259 2.843 0.000) 6.874 7.184 ( 2.031 8.472 -0.000) 8.712 7.670 ( 0.104 -2.852 0.000) 2.854 7.705 ( -2.660 -0.757 -0.000) 2.765 7.872 ( -3.343 -6.276 0.000) 7.111 7.963 ( -9.822 -0.137 -0.000) 9.823 8.045 ( -8.891 -8.414 -0.000) 12.241 8.098 ( -11.680 -5.237 -0.000) 12.800 8.463 ( 4.783 -0.551 0.000) 4.815 8.540 ( -2.516 3.130 -0.000) 4.016 8.935 ( 8.936 -1.267 0.000) 9.025 9.034 ( -0.596 3.808 -0.000) 3.855 9.285 ( 0.240 -1.516 0.000) 1.534 9.327 ( -3.007 0.965 -0.000) 3.158======================= Grid point 310 (70/75) =======================q-point: (-0.33 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( 7.763 -0.000 -3.065) 8.346 1.998 ( 6.672 -0.000 -2.876) 7.265 2.093 ( 0.452 -0.000 -2.443) 2.485 2.265 ( -4.213 0.000 0.925) 4.314 2.376 ( -0.067 0.000 4.497) 4.497 2.460 ( -4.470 0.000 2.921) 5.339 2.618 ( -0.932 -0.000 -3.031) 3.171 2.717 ( -0.316 0.000 5.171) 5.180 2.845 ( -5.332 0.000 -0.961) 5.417 3.078 ( -1.266 0.000 10.640) 10.715 3.545 ( 7.201 -0.000 -7.862) 10.661 3.699 ( 7.922 0.000 3.225) 8.553 4.017 ( -2.344 0.000 1.480) 2.772 4.296 ( -16.754 0.000 -0.468) 16.760 4.755 ( 4.007 -0.000 -0.457) 4.033 4.870 ( -3.016 -0.000 -2.368) 3.834 5.218 ( 5.403 -0.000 -3.223) 6.291 5.339 ( -2.706 -0.000 -3.866) 4.719 5.816 ( 1.859 -0.000 0.078) 1.861 5.917 ( -3.652 -0.000 -1.316) 3.882 6.141 ( -0.056 -0.000 -4.868) 4.868 6.163 ( 4.985 -0.000 -4.331) 6.603 6.253 ( 3.029 -0.000 -1.029) 3.199 6.352 ( -0.864 -0.000 -5.911) 5.974 6.430 ( 4.303 -0.000 -0.124) 4.305 6.616 ( -0.645 -0.000 -1.080) 1.257 6.832 ( 11.903 -0.000 1.145) 11.958 7.043 ( 11.411 -0.000 2.654) 11.716 7.118 ( 1.163 0.000 0.955) 1.505 7.239 ( 3.480 -0.000 -0.712) 3.552 7.679 ( -0.412 0.000 3.610) 3.633 7.739 ( -2.887 0.000 3.819) 4.787 7.775 ( -6.424 -0.000 -2.584) 6.924 7.984 ( -9.495 0.000 0.422) 9.504 8.025 ( -11.080 0.000 6.203) 12.698 8.073 ( -9.361 0.000 2.292) 9.638 8.468 ( 3.859 -0.000 0.951) 3.974 8.577 ( -1.524 0.000 2.181) 2.661 8.934 ( 9.154 -0.000 1.287) 9.245 9.066 ( 0.309 0.000 0.832) 0.888 9.256 ( -0.213 -0.000 -2.644) 2.652 9.318 ( -3.233 -0.000 -2.148) 3.881======================= Grid point 318 (71/75) =======================q-point: (-0.44 -0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( 2.889 2.889 -6.111) 7.351 2.051 ( 2.590 2.590 -3.140) 4.824 2.123 ( -0.738 -0.738 -1.202) 1.592 2.187 ( -3.779 -3.779 -4.434) 6.944 2.403 ( -0.931 -0.931 7.813) 7.923 2.416 ( -0.880 -0.880 6.289) 6.411 2.622 ( 1.483 1.483 -4.209) 4.703 2.691 ( 1.232 1.232 5.223) 5.507 2.819 ( -4.474 -4.474 -0.614) 6.357 3.065 ( -1.137 -1.137 11.487) 11.599 3.600 ( 4.923 4.923 -8.077) 10.663 3.757 ( 5.105 5.105 3.312) 7.943 4.076 ( -5.637 -5.637 -0.287) 7.978 4.098 ( -5.792 -5.792 0.991) 8.250 4.802 ( -0.292 -0.292 -3.077) 3.105 4.830 ( 0.898 0.898 -0.140) 1.278 5.283 ( 0.174 0.174 -4.377) 4.384 5.293 ( -0.494 -0.494 -3.606) 3.673 5.845 ( 0.213 0.213 -1.101) 1.142 5.874 ( -1.884 -1.884 0.756) 2.769 6.139 ( 0.139 0.139 -5.671) 5.674 6.196 ( 2.781 2.781 -3.025) 4.962 6.282 ( 2.373 2.373 -3.821) 5.086 6.325 ( -0.636 -0.636 -1.673) 1.900 6.479 ( 0.222 0.222 -3.189) 3.204 6.603 ( 0.003 0.003 1.919) 1.919 6.983 ( 7.573 7.573 -0.950) 10.751 7.040 ( 5.867 5.867 2.509) 8.669 7.209 ( 5.380 5.380 0.367) 7.618 7.212 ( 5.550 5.550 0.539) 7.867 7.676 ( -4.669 -4.669 -2.033) 6.909 7.709 ( 0.684 0.684 4.587) 4.688 7.762 ( -3.939 -3.939 -0.419) 5.587 7.909 ( -7.957 -7.957 5.717) 12.621 7.917 ( -8.767 -8.767 -0.527) 12.410 8.014 ( -4.827 -4.827 6.197) 9.220 8.504 ( 0.932 0.932 -0.550) 1.428 8.561 ( 1.937 1.937 3.605) 4.527 9.015 ( 2.044 2.044 0.017) 2.891 9.054 ( 2.229 2.229 2.380) 3.950 9.270 ( -0.746 -0.746 -2.681) 2.881 9.276 ( -1.090 -1.090 -2.189) 2.677======================= Grid point 319 (72/75) =======================q-point: (-0.33 -0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.867 ( 4.034 -0.000 -8.939) 9.807 1.925 ( -1.364 -0.000 -11.993) 12.070 2.072 ( -5.324 -0.000 -3.596) 6.424 2.197 ( -0.204 0.000 4.881) 4.886 2.472 ( 3.196 0.000 2.580) 4.108 2.504 ( -1.485 0.000 5.809) 5.996 2.558 ( -1.222 -0.000 -3.678) 3.875 2.828 ( 1.710 0.000 10.692) 10.828 2.859 ( -2.619 0.000 11.438) 11.734 3.188 ( -1.269 0.000 6.615) 6.736 3.515 ( 5.615 -0.000 -9.689) 11.199 3.824 ( 6.899 -0.000 0.464) 6.914 4.008 ( -2.702 0.000 1.512) 3.097 4.090 ( -12.205 0.000 -0.254) 12.207 4.740 ( -0.659 -0.000 -4.417) 4.466 4.836 ( 1.102 -0.000 -0.332) 1.151 5.195 ( 1.615 -0.000 -6.529) 6.726 5.225 ( -2.713 -0.000 -6.740) 7.265 5.832 ( 1.488 -0.000 -1.530) 2.134 5.856 ( -1.845 -0.000 -2.068) 2.771 6.050 ( -0.375 -0.000 -6.962) 6.972 6.143 ( 1.246 -0.000 -6.954) 7.064 6.255 ( 1.796 -0.000 -2.923) 3.430 6.265 ( -0.056 -0.000 -3.271) 3.272 6.496 ( 1.798 0.000 3.654) 4.073 6.601 ( 1.408 -0.000 -3.291) 3.580 7.023 ( 13.249 -0.000 1.393) 13.322 7.137 ( 0.600 0.000 0.682) 0.908 7.226 ( 10.299 -0.000 0.515) 10.312 7.285 ( 3.652 -0.000 0.214) 3.658 7.596 ( -10.308 0.000 0.208) 10.310 7.710 ( -1.764 -0.000 -2.445) 3.015 7.815 ( -0.049 0.000 6.584) 6.584 7.882 ( -7.592 0.000 5.279) 9.247 7.920 ( -10.727 0.000 4.692) 11.708 8.082 ( -3.695 0.000 7.577) 8.430 8.503 ( 0.943 -0.000 -0.428) 1.036 8.630 ( 2.060 0.000 3.642) 4.184 9.043 ( 3.628 0.000 2.415) 4.358 9.107 ( 2.485 0.000 2.529) 3.545 9.207 ( 0.158 -0.000 -4.392) 4.395 9.237 ( -3.414 -0.000 -3.150) 4.645======================= Grid point 328 (73/75) =======================q-point: (-0.33 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.732 ( -0.000 -0.000 -14.585) 14.585 1.732 ( -0.000 -0.000 -14.585) 14.585 1.967 ( -0.000 -0.000 -2.707) 2.707 2.287 ( 0.000 0.000 4.751) 4.751 2.492 ( -0.000 -0.000 -0.153) 0.153 2.553 ( 0.000 0.000 3.512) 3.512 2.553 ( 0.000 0.000 3.512) 3.512 3.026 ( 0.000 0.000 14.157) 14.157 3.026 ( 0.000 0.000 14.157) 14.157 3.193 ( -0.000 -0.000 -4.100) 4.100 3.403 ( -0.000 -0.000 -13.688) 13.688 3.870 ( -0.000 -0.000 -3.446) 3.446 4.002 ( 0.000 0.000 1.860) 1.860 4.002 ( 0.000 0.000 1.860) 1.860 4.698 ( 0.000 0.000 0.298) 0.298 4.843 ( -0.000 -0.000 -0.621) 0.621 5.107 ( -0.000 -0.000 -7.358) 7.358 5.107 ( -0.000 -0.000 -7.358) 7.358 5.810 ( -0.000 -0.000 -2.905) 2.905 5.810 ( -0.000 -0.000 -2.905) 2.905 5.954 ( -0.000 -0.000 -6.639) 6.639 6.043 ( -0.000 -0.000 -7.019) 7.019 6.251 ( 0.000 0.000 0.241) 0.241 6.251 ( 0.000 0.000 0.241) 0.241 6.525 ( -0.000 -0.000 -9.585) 9.585 6.568 ( 0.000 0.000 4.976) 4.976 7.151 ( 0.000 0.000 0.682) 0.682 7.151 ( 0.000 0.000 0.682) 0.682 7.320 ( 0.000 0.000 0.659) 0.659 7.320 ( 0.000 0.000 0.659) 0.659 7.531 ( 0.000 0.000 1.239) 1.239 7.644 ( 0.000 0.000 1.832) 1.832 7.859 ( 0.000 0.000 2.723) 2.723 7.927 ( 0.000 0.000 5.328) 5.328 7.927 ( 0.000 0.000 5.328) 5.328 8.154 ( 0.000 0.000 6.842) 6.842 8.493 ( -0.000 -0.000 -1.752) 1.752 8.691 ( 0.000 0.000 2.543) 2.543 9.125 ( 0.000 0.000 5.208) 5.208 9.146 ( -0.000 -0.000 -4.596) 4.596 9.146 ( -0.000 -0.000 -4.596) 4.596 9.176 ( 0.000 0.000 3.848) 3.848======================= Grid point 398 (74/75) =======================q-point: (-0.44 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.022 ( 7.164 -0.000 0.000) 7.164 2.055 ( 2.546 -0.000 0.000) 2.546 2.176 ( 2.408 -0.000 0.000) 2.408 2.222 ( -4.126 0.000 -0.000) 4.126 2.296 ( -0.717 0.000 -0.000) 0.717 2.345 ( -6.792 0.000 -0.000) 6.792 2.647 ( 2.646 -0.000 0.000) 2.646 2.676 ( -0.158 0.000 -0.000) 0.158 2.873 ( -1.577 0.000 -0.000) 1.577 2.901 ( -4.556 0.000 -0.000) 4.556 3.719 ( 7.663 -0.000 0.000) 7.663 3.758 ( 5.655 -0.000 0.000) 5.655 3.984 ( -0.977 0.000 -0.000) 0.977 4.093 ( -13.357 0.000 -0.000) 13.357 4.812 ( 2.925 -0.000 0.000) 2.925 4.847 ( -2.151 0.000 -0.000) 2.151 5.298 ( 2.701 -0.000 0.000) 2.701 5.332 ( -2.184 0.000 -0.000) 2.184 5.835 ( 1.128 -0.000 0.000) 1.128 5.867 ( -3.440 0.000 -0.000) 3.440 6.201 ( 2.013 -0.000 0.000) 2.013 6.223 ( -0.739 0.000 -0.000) 0.739 6.302 ( 4.978 -0.000 0.000) 4.978 6.358 ( -2.127 0.000 -0.000) 2.127 6.515 ( 3.206 -0.000 0.000) 3.206 6.566 ( -3.659 0.000 -0.000) 3.659 7.013 ( 13.374 -0.000 0.000) 13.374 7.121 ( 0.405 -0.000 0.000) 0.405 7.200 ( 13.027 -0.000 0.000) 13.027 7.289 ( 3.000 -0.000 0.000) 3.000 7.657 ( 1.016 -0.000 0.000) 1.016 7.699 ( 0.609 -0.000 0.000) 0.609 7.724 ( -7.850 0.000 -0.000) 7.850 7.790 ( -12.708 0.000 -0.000) 12.708 7.888 ( -5.630 0.000 -0.000) 5.630 7.908 ( -9.114 0.000 -0.000) 9.114 8.519 ( 3.439 -0.000 0.000) 3.439 8.545 ( -0.448 0.000 -0.000) 0.448 9.023 ( 4.917 -0.000 0.000) 4.917 9.057 ( -0.091 0.000 -0.000) 0.091 9.274 ( 0.085 -0.000 0.000) 0.085 9.293 ( -2.504 0.000 -0.000) 2.504======================= Grid point 407 (75/75) =======================q-point: (-0.44 -0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.98e-04 2.98e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.037 ( -0.000 -0.000 -2.772) 2.772 2.075 ( -0.000 -0.000 -11.172) 11.172 2.075 ( -0.000 -0.000 -11.172) 11.172 2.135 ( 0.000 0.000 4.881) 4.881 2.392 ( 0.000 0.000 8.968) 8.968 2.392 ( 0.000 0.000 8.968) 8.968 2.685 ( -0.000 -0.000 -11.959) 11.959 2.715 ( 0.000 0.000 6.109) 6.109 2.715 ( 0.000 0.000 6.109) 6.109 3.044 ( 0.000 0.000 12.591) 12.591 3.689 ( -0.000 -0.000 -8.976) 8.976 3.867 ( 0.000 0.000 3.640) 3.640 3.979 ( 0.000 0.000 0.220) 0.220 3.979 ( 0.000 0.000 0.220) 0.220 4.797 ( -0.000 -0.000 -3.854) 3.854 4.843 ( 0.000 0.000 0.367) 0.367 5.285 ( -0.000 -0.000 -4.428) 4.428 5.285 ( -0.000 -0.000 -4.428) 4.428 5.847 ( 0.000 0.000 0.422) 0.422 5.847 ( 0.000 0.000 0.422) 0.422 6.139 ( -0.000 -0.000 -6.603) 6.603 6.234 ( -0.000 -0.000 -2.854) 2.854 6.313 ( -0.000 -0.000 -3.584) 3.584 6.313 ( -0.000 -0.000 -3.584) 3.584 6.482 ( -0.000 -0.000 -1.114) 1.114 6.603 ( 0.000 0.000 3.480) 3.480 7.129 ( 0.000 0.000 0.733) 0.733 7.129 ( 0.000 0.000 0.733) 0.733 7.312 ( 0.000 0.000 0.012) 0.012 7.312 ( 0.000 0.000 0.012) 0.012 7.547 ( -0.000 -0.000 -6.408) 6.408 7.743 ( 0.000 0.000 6.116) 6.116 7.746 ( 0.000 0.000 5.498) 5.498 7.746 ( 0.000 0.000 5.498) 5.498 7.761 ( -0.000 -0.000 -5.657) 5.657 7.944 ( 0.000 0.000 8.059) 8.059 8.519 ( -0.000 -0.000 -1.077) 1.077 8.590 ( 0.000 0.000 4.137) 4.137 9.046 ( 0.000 0.000 0.252) 0.252 9.087 ( 0.000 0.000 2.701) 2.701 9.257 ( -0.000 -0.000 -2.593) 2.593 9.257 ( -0.000 -0.000 -2.593) 2.593=================== 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 3/30618 10.0 817.450 817.450 821.326 0.000 0.000 -0.000 3/30618 20.0 125.309 125.309 102.236 0.000 0.000 -0.000 3/30618 30.0 52.767 52.767 41.599 0.000 0.000 -0.000 3/30618 40.0 29.578 29.578 23.631 0.000 0.000 -0.000 3/30618 50.0 19.100 19.100 15.501 0.000 0.000 -0.000 3/30618 60.0 13.538 13.538 11.110 0.000 0.000 -0.000 3/30618 70.0 10.265 10.265 8.483 0.000 0.000 -0.000 3/30618 80.0 8.185 8.185 6.791 0.000 0.000 -0.000 3/30618 90.0 6.777 6.777 5.636 0.000 0.000 -0.000 3/30618 100.0 5.776 5.776 4.809 0.000 0.000 -0.000 3/30618 110.0 5.033 5.033 4.192 0.000 0.000 -0.000 3/30618 120.0 4.463 4.463 3.717 0.000 0.000 -0.000 3/30618 130.0 4.012 4.012 3.341 0.000 0.000 -0.000 3/30618 140.0 3.647 3.647 3.035 0.000 0.000 -0.000 3/30618 150.0 3.345 3.345 2.783 0.000 0.000 -0.000 3/30618 160.0 3.092 3.092 2.571 0.000 0.000 -0.000 3/30618 170.0 2.876 2.876 2.390 0.000 0.000 -0.000 3/30618 180.0 2.689 2.689 2.234 0.000 0.000 -0.000 3/30618 190.0 2.526 2.526 2.098 0.000 0.000 -0.000 3/30618 200.0 2.383 2.383 1.978 0.000 0.000 -0.000 3/30618 210.0 2.255 2.255 1.872 0.000 0.000 -0.000 3/30618 220.0 2.142 2.142 1.777 0.000 0.000 -0.000 3/30618 230.0 2.039 2.039 1.691 0.000 0.000 -0.000 3/30618 240.0 1.946 1.946 1.614 0.000 0.000 -0.000 3/30618 250.0 1.862 1.862 1.543 0.000 0.000 -0.000 3/30618 260.0 1.785 1.785 1.479 0.000 0.000 -0.000 3/30618 270.0 1.714 1.714 1.420 0.000 0.000 -0.000 3/30618 280.0 1.649 1.649 1.366 0.000 0.000 -0.000 3/30618 290.0 1.588 1.588 1.315 0.000 0.000 -0.000 3/30618 300.0 1.532 1.532 1.269 0.000 0.000 -0.000 3/30618 310.0 1.480 1.480 1.225 0.000 0.000 -0.000 3/30618 320.0 1.432 1.432 1.185 0.000 0.000 -0.000 3/30618 330.0 1.386 1.386 1.147 0.000 0.000 -0.000 3/30618 340.0 1.344 1.344 1.112 0.000 0.000 -0.000 3/30618 350.0 1.304 1.304 1.079 0.000 0.000 -0.000 3/30618 360.0 1.266 1.266 1.047 0.000 0.000 -0.000 3/30618 370.0 1.231 1.231 1.018 0.000 0.000 -0.000 3/30618 380.0 1.197 1.197 0.990 0.000 0.000 -0.000 3/30618 390.0 1.165 1.165 0.964 0.000 0.000 -0.000 3/30618 400.0 1.135 1.135 0.939 0.000 0.000 -0.000 3/30618 410.0 1.107 1.107 0.915 0.000 0.000 -0.000 3/30618 420.0 1.080 1.080 0.893 0.000 0.000 -0.000 3/30618 430.0 1.054 1.054 0.872 0.000 0.000 -0.000 3/30618 440.0 1.029 1.029 0.851 0.000 0.000 -0.000 3/30618 450.0 1.006 1.006 0.832 0.000 0.000 -0.000 3/30618 460.0 0.984 0.984 0.813 0.000 0.000 -0.000 3/30618 470.0 0.962 0.962 0.795 0.000 0.000 -0.000 3/30618 480.0 0.942 0.942 0.779 0.000 0.000 -0.000 3/30618 490.0 0.922 0.922 0.762 0.000 0.000 -0.000 3/30618 500.0 0.903 0.903 0.747 0.000 0.000 -0.000 3/30618 510.0 0.885 0.885 0.732 0.000 0.000 -0.000 3/30618 520.0 0.868 0.868 0.717 0.000 0.000 -0.000 3/30618 530.0 0.851 0.851 0.704 0.000 0.000 -0.000 3/30618 540.0 0.835 0.835 0.690 0.000 0.000 -0.000 3/30618 550.0 0.820 0.820 0.678 0.000 0.000 -0.000 3/30618 560.0 0.805 0.805 0.665 0.000 0.000 -0.000 3/30618 570.0 0.791 0.791 0.653 0.000 0.000 -0.000 3/30618 580.0 0.777 0.777 0.642 0.000 0.000 -0.000 3/30618 590.0 0.764 0.764 0.631 0.000 0.000 -0.000 3/30618 600.0 0.751 0.751 0.620 0.000 0.000 -0.000 3/30618 610.0 0.738 0.738 0.610 0.000 0.000 -0.000 3/30618 620.0 0.726 0.726 0.600 0.000 0.000 -0.000 3/30618 630.0 0.715 0.715 0.590 0.000 0.000 -0.000 3/30618 640.0 0.703 0.703 0.581 0.000 0.000 -0.000 3/30618 650.0 0.692 0.692 0.572 0.000 0.000 -0.000 3/30618 660.0 0.682 0.682 0.563 0.000 0.000 -0.000 3/30618 670.0 0.671 0.671 0.555 0.000 0.000 -0.000 3/30618 680.0 0.661 0.661 0.547 0.000 0.000 -0.000 3/30618 690.0 0.652 0.652 0.539 0.000 0.000 -0.000 3/30618 700.0 0.642 0.642 0.531 0.000 0.000 -0.000 3/30618 710.0 0.633 0.633 0.523 0.000 0.000 -0.000 3/30618 720.0 0.624 0.624 0.516 0.000 0.000 -0.000 3/30618 730.0 0.616 0.616 0.509 0.000 0.000 -0.000 3/30618 740.0 0.607 0.607 0.502 0.000 0.000 -0.000 3/30618 750.0 0.599 0.599 0.495 0.000 0.000 -0.000 3/30618 760.0 0.591 0.591 0.488 0.000 0.000 -0.000 3/30618 770.0 0.584 0.584 0.482 0.000 0.000 -0.000 3/30618 780.0 0.576 0.576 0.476 0.000 0.000 -0.000 3/30618 790.0 0.569 0.569 0.470 0.000 0.000 -0.000 3/30618 800.0 0.562 0.562 0.464 0.000 0.000 -0.000 3/30618 810.0 0.555 0.555 0.458 0.000 0.000 -0.000 3/30618 820.0 0.548 0.548 0.452 0.000 0.000 -0.000 3/30618 830.0 0.541 0.541 0.447 0.000 0.000 -0.000 3/30618 840.0 0.535 0.535 0.442 0.000 0.000 -0.000 3/30618 850.0 0.528 0.528 0.436 0.000 0.000 -0.000 3/30618 860.0 0.522 0.522 0.431 0.000 0.000 -0.000 3/30618 870.0 0.516 0.516 0.426 0.000 0.000 -0.000 3/30618 880.0 0.510 0.510 0.421 0.000 0.000 -0.000 3/30618 890.0 0.504 0.504 0.417 0.000 0.000 -0.000 3/30618 900.0 0.499 0.499 0.412 0.000 0.000 -0.000 3/30618 910.0 0.493 0.493 0.407 0.000 0.000 -0.000 3/30618 920.0 0.488 0.488 0.403 0.000 0.000 -0.000 3/30618 930.0 0.483 0.483 0.399 0.000 0.000 -0.000 3/30618 940.0 0.477 0.477 0.394 0.000 0.000 -0.000 3/30618 950.0 0.472 0.472 0.390 0.000 0.000 -0.000 3/30618 960.0 0.467 0.467 0.386 0.000 0.000 -0.000 3/30618 970.0 0.463 0.463 0.382 0.000 0.000 -0.000 3/30618 980.0 0.458 0.458 0.378 0.000 0.000 -0.000 3/30618 990.0 0.453 0.453 0.374 0.000 0.000 -0.000 3/30618 1000.0 0.449 0.449 0.371 0.000 0.000 -0.000 3/30618Thermal conductivity related properties were written into "kappa-m999.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 09:28:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|