# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/ae789245-6dc9-447e-8d1a-eff27bf6601a/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 HoF3 / Pnma (62) / materials id 561877](https://mdr.nims.go.jp/datasets/f43aad75-e0ce-483b-8a5b-2989d3def262) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 17:28:33]-------------------------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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 6.295959710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783217869999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.322277960000000Atomic positions (fractional): *1 Ho 0.13030529837604 0.75000000000000 0.56376162336992 164.930 2 Ho 0.63030529837604 0.75000000000000 0.93623837663008 164.930 3 Ho 0.36969470162396 0.25000000000000 0.06376162336992 164.930 4 Ho 0.86969470162396 0.25000000000000 0.43623837663008 164.930 *5 F 0.33451739764440 0.93731262689166 0.87982597121440 18.998 *6 F 0.97783033216338 0.75000000000000 0.08710834010846 18.998 7 F 0.83451739764440 0.56268737310834 0.62017402878560 18.998 8 F 0.02216966783662 0.25000000000000 0.91289165989154 18.998 9 F 0.47783033216338 0.75000000000000 0.41289165989154 18.998 10 F 0.16548260235560 0.43731262689166 0.37982597121440 18.998 11 F 0.66548260235560 0.43731262689166 0.12017402878560 18.998 12 F 0.83451739764440 0.93731262689166 0.62017402878560 18.998 13 F 0.16548260235560 0.06268737310834 0.37982597121440 18.998 14 F 0.52216966783662 0.25000000000000 0.58710834010846 18.998 15 F 0.66548260235560 0.06268737310834 0.12017402878560 18.998 16 F 0.33451739764440 0.56268737310834 0.87982597121440 18.998-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.295959710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783217869999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.322277960000000Atomic positions (fractional): *1 Ho 0.13030529837604 0.75000000000000 0.56376162336992 164.930 > 1 2 Ho 0.63030529837604 0.75000000000000 0.93623837663008 164.930 > 2 3 Ho 0.36969470162396 0.25000000000000 0.06376162336992 164.930 > 3 4 Ho 0.86969470162396 0.25000000000000 0.43623837663008 164.930 > 4 *5 F 0.33451739764440 0.93731262689166 0.87982597121440 18.998 > 5 *6 F 0.97783033216338 0.75000000000000 0.08710834010846 18.998 > 6 7 F 0.83451739764440 0.56268737310834 0.62017402878560 18.998 > 7 8 F 0.02216966783662 0.25000000000000 0.91289165989154 18.998 > 8 9 F 0.47783033216338 0.75000000000000 0.41289165989154 18.998 > 9 10 F 0.16548260235560 0.43731262689166 0.37982597121440 18.998 > 10 11 F 0.66548260235560 0.43731262689166 0.12017402878560 18.998 > 11 12 F 0.83451739764440 0.93731262689166 0.62017402878560 18.998 > 12 13 F 0.16548260235560 0.06268737310834 0.37982597121440 18.998 > 13 14 F 0.52216966783662 0.25000000000000 0.58710834010846 18.998 > 14 15 F 0.66548260235560 0.06268737310834 0.12017402878560 18.998 > 15 16 F 0.33451739764440 0.56268737310834 0.87982597121440 18.998 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 12.591919420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.566435739999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.644555920000000Atomic positions (fractional): *1 Ho 0.06515264918802 0.37500000000000 0.28188081168496 164.930 > 1 2 Ho 0.56515264918802 0.37500000000000 0.28188081168496 164.930 > 1 3 Ho 0.06515264918802 0.87500000000000 0.28188081168496 164.930 > 1 4 Ho 0.56515264918802 0.87500000000000 0.28188081168496 164.930 > 1 5 Ho 0.06515264918802 0.37500000000000 0.78188081168496 164.930 > 1 6 Ho 0.56515264918802 0.37500000000000 0.78188081168496 164.930 > 1 7 Ho 0.06515264918802 0.87500000000000 0.78188081168496 164.930 > 1 8 Ho 0.56515264918802 0.87500000000000 0.78188081168496 164.930 > 1 9 Ho 0.31515264918802 0.37500000000000 0.46811918831504 164.930 > 2 10 Ho 0.81515264918802 0.37500000000000 0.46811918831504 164.930 > 2 11 Ho 0.31515264918802 0.87500000000000 0.46811918831504 164.930 > 2 12 Ho 0.81515264918802 0.87500000000000 0.46811918831504 164.930 > 2 13 Ho 0.31515264918802 0.37500000000000 0.96811918831504 164.930 > 2 14 Ho 0.81515264918802 0.37500000000000 0.96811918831504 164.930 > 2 15 Ho 0.31515264918802 0.87500000000000 0.96811918831504 164.930 > 2 16 Ho 0.81515264918802 0.87500000000000 0.96811918831504 164.930 > 2 17 Ho 0.18484735081198 0.12500000000000 0.03188081168496 164.930 > 3 18 Ho 0.68484735081198 0.12500000000000 0.03188081168496 164.930 > 3 19 Ho 0.18484735081198 0.62500000000000 0.03188081168496 164.930 > 3 20 Ho 0.68484735081198 0.62500000000000 0.03188081168496 164.930 > 3 21 Ho 0.18484735081198 0.12500000000000 0.53188081168496 164.930 > 3 22 Ho 0.68484735081198 0.12500000000000 0.53188081168496 164.930 > 3 23 Ho 0.18484735081198 0.62500000000000 0.53188081168496 164.930 > 3 24 Ho 0.68484735081198 0.62500000000000 0.53188081168496 164.930 > 3 25 Ho 0.43484735081198 0.12500000000000 0.21811918831504 164.930 > 4 26 Ho 0.93484735081198 0.12500000000000 0.21811918831504 164.930 > 4 27 Ho 0.43484735081198 0.62500000000000 0.21811918831504 164.930 > 4 28 Ho 0.93484735081198 0.62500000000000 0.21811918831504 164.930 > 4 29 Ho 0.43484735081198 0.12500000000000 0.71811918831504 164.930 > 4 30 Ho 0.93484735081198 0.12500000000000 0.71811918831504 164.930 > 4 31 Ho 0.43484735081198 0.62500000000000 0.71811918831504 164.930 > 4 32 Ho 0.93484735081198 0.62500000000000 0.71811918831504 164.930 > 4 *33 F 0.16725869882220 0.46865631344583 0.43991298560720 18.998 > 5 34 F 0.66725869882220 0.46865631344583 0.43991298560720 18.998 > 5 35 F 0.16725869882220 0.96865631344583 0.43991298560720 18.998 > 5 36 F 0.66725869882220 0.96865631344583 0.43991298560720 18.998 > 5 37 F 0.16725869882220 0.46865631344583 0.93991298560720 18.998 > 5 38 F 0.66725869882220 0.46865631344583 0.93991298560720 18.998 > 5 39 F 0.16725869882220 0.96865631344583 0.93991298560720 18.998 > 5 40 F 0.66725869882220 0.96865631344583 0.93991298560720 18.998 > 5 *41 F 0.48891516608169 0.37500000000000 0.04355417005423 18.998 > 6 42 F 0.98891516608169 0.37500000000000 0.04355417005423 18.998 > 6 43 F 0.48891516608169 0.87500000000000 0.04355417005423 18.998 > 6 44 F 0.98891516608169 0.87500000000000 0.04355417005423 18.998 > 6 45 F 0.48891516608169 0.37500000000000 0.54355417005423 18.998 > 6 46 F 0.98891516608169 0.37500000000000 0.54355417005423 18.998 > 6 47 F 0.48891516608169 0.87500000000000 0.54355417005423 18.998 > 6 48 F 0.98891516608169 0.87500000000000 0.54355417005423 18.998 > 6 49 F 0.41725869882220 0.28134368655417 0.31008701439280 18.998 > 7 50 F 0.91725869882220 0.28134368655417 0.31008701439280 18.998 > 7 51 F 0.41725869882220 0.78134368655417 0.31008701439280 18.998 > 7 52 F 0.91725869882220 0.78134368655417 0.31008701439280 18.998 > 7 53 F 0.41725869882220 0.28134368655417 0.81008701439280 18.998 > 7 54 F 0.91725869882220 0.28134368655417 0.81008701439280 18.998 > 7 55 F 0.41725869882220 0.78134368655417 0.81008701439280 18.998 > 7 56 F 0.91725869882220 0.78134368655417 0.81008701439280 18.998 > 7 57 F 0.01108483391831 0.12500000000000 0.45644582994577 18.998 > 8 58 F 0.51108483391831 0.12500000000000 0.45644582994577 18.998 > 8 59 F 0.01108483391831 0.62500000000000 0.45644582994577 18.998 > 8 60 F 0.51108483391831 0.62500000000000 0.45644582994577 18.998 > 8 61 F 0.01108483391831 0.12500000000000 0.95644582994577 18.998 > 8 62 F 0.51108483391831 0.12500000000000 0.95644582994577 18.998 > 8 63 F 0.01108483391831 0.62500000000000 0.95644582994577 18.998 > 8 64 F 0.51108483391831 0.62500000000000 0.95644582994577 18.998 > 8 65 F 0.23891516608169 0.37500000000000 0.20644582994577 18.998 > 9 66 F 0.73891516608169 0.37500000000000 0.20644582994577 18.998 > 9 67 F 0.23891516608169 0.87500000000000 0.20644582994577 18.998 > 9 68 F 0.73891516608169 0.87500000000000 0.20644582994577 18.998 > 9 69 F 0.23891516608169 0.37500000000000 0.70644582994577 18.998 > 9 70 F 0.73891516608169 0.37500000000000 0.70644582994577 18.998 > 9 71 F 0.23891516608169 0.87500000000000 0.70644582994577 18.998 > 9 72 F 0.73891516608169 0.87500000000000 0.70644582994577 18.998 > 9 73 F 0.08274130117780 0.21865631344583 0.18991298560720 18.998 > 10 74 F 0.58274130117780 0.21865631344583 0.18991298560720 18.998 > 10 75 F 0.08274130117780 0.71865631344583 0.18991298560720 18.998 > 10 76 F 0.58274130117780 0.71865631344583 0.18991298560720 18.998 > 10 77 F 0.08274130117780 0.21865631344583 0.68991298560720 18.998 > 10 78 F 0.58274130117780 0.21865631344583 0.68991298560720 18.998 > 10 79 F 0.08274130117780 0.71865631344583 0.68991298560720 18.998 > 10 80 F 0.58274130117780 0.71865631344583 0.68991298560720 18.998 > 10 81 F 0.33274130117780 0.21865631344583 0.06008701439280 18.998 > 11 82 F 0.83274130117780 0.21865631344583 0.06008701439280 18.998 > 11 83 F 0.33274130117780 0.71865631344583 0.06008701439280 18.998 > 11 84 F 0.83274130117780 0.71865631344583 0.06008701439280 18.998 > 11 85 F 0.33274130117780 0.21865631344583 0.56008701439280 18.998 > 11 86 F 0.83274130117780 0.21865631344583 0.56008701439280 18.998 > 11 87 F 0.33274130117780 0.71865631344583 0.56008701439280 18.998 > 11 88 F 0.83274130117780 0.71865631344583 0.56008701439280 18.998 > 11 89 F 0.41725869882220 0.46865631344583 0.31008701439280 18.998 > 12 90 F 0.91725869882220 0.46865631344583 0.31008701439280 18.998 > 12 91 F 0.41725869882220 0.96865631344583 0.31008701439280 18.998 > 12 92 F 0.91725869882220 0.96865631344583 0.31008701439280 18.998 > 12 93 F 0.41725869882220 0.46865631344583 0.81008701439280 18.998 > 12 94 F 0.91725869882220 0.46865631344583 0.81008701439280 18.998 > 12 95 F 0.41725869882220 0.96865631344583 0.81008701439280 18.998 > 12 96 F 0.91725869882220 0.96865631344583 0.81008701439280 18.998 > 12 97 F 0.08274130117780 0.03134368655417 0.18991298560720 18.998 > 13 98 F 0.58274130117780 0.03134368655417 0.18991298560720 18.998 > 13 99 F 0.08274130117780 0.53134368655417 0.18991298560720 18.998 > 13 100 F 0.58274130117780 0.53134368655417 0.18991298560720 18.998 > 13 101 F 0.08274130117780 0.03134368655417 0.68991298560720 18.998 > 13 102 F 0.58274130117780 0.03134368655417 0.68991298560720 18.998 > 13 103 F 0.08274130117780 0.53134368655417 0.68991298560720 18.998 > 13 104 F 0.58274130117780 0.53134368655417 0.68991298560720 18.998 > 13 105 F 0.26108483391831 0.12500000000000 0.29355417005423 18.998 > 14 106 F 0.76108483391831 0.12500000000000 0.29355417005423 18.998 > 14 107 F 0.26108483391831 0.62500000000000 0.29355417005423 18.998 > 14 108 F 0.76108483391831 0.62500000000000 0.29355417005423 18.998 > 14 109 F 0.26108483391831 0.12500000000000 0.79355417005423 18.998 > 14 110 F 0.76108483391831 0.12500000000000 0.79355417005423 18.998 > 14 111 F 0.26108483391831 0.62500000000000 0.79355417005423 18.998 > 14 112 F 0.76108483391831 0.62500000000000 0.79355417005423 18.998 > 14 113 F 0.33274130117780 0.03134368655417 0.06008701439280 18.998 > 15 114 F 0.83274130117780 0.03134368655417 0.06008701439280 18.998 > 15 115 F 0.33274130117780 0.53134368655417 0.06008701439280 18.998 > 15 116 F 0.83274130117780 0.53134368655417 0.06008701439280 18.998 > 15 117 F 0.33274130117780 0.03134368655417 0.56008701439280 18.998 > 15 118 F 0.83274130117780 0.03134368655417 0.56008701439280 18.998 > 15 119 F 0.33274130117780 0.53134368655417 0.56008701439280 18.998 > 15 120 F 0.83274130117780 0.53134368655417 0.56008701439280 18.998 > 15 121 F 0.16725869882220 0.28134368655417 0.43991298560720 18.998 > 16 122 F 0.66725869882220 0.28134368655417 0.43991298560720 18.998 > 16 123 F 0.16725869882220 0.78134368655417 0.43991298560720 18.998 > 16 124 F 0.66725869882220 0.78134368655417 0.43991298560720 18.998 > 16 125 F 0.16725869882220 0.28134368655417 0.93991298560720 18.998 > 16 126 F 0.66725869882220 0.28134368655417 0.93991298560720 18.998 > 16 127 F 0.16725869882220 0.78134368655417 0.93991298560720 18.998 > 16 128 F 0.66725869882220 0.78134368655417 0.93991298560720 18.998 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.8139083 0.0000000 0.0000000 0.0000000 2.7453814 0.0000000 0.0000000 0.0000000 2.6783888-------------------------- Born effective charges -------------------------- 1 Ho 3.9786859 0.0000000 0.2606953 0.0000000 3.8652964 0.0000000 0.1411961 -0.0000000 3.6477955 2 Ho 3.9786859 0.0000000 -0.2606953 0.0000000 3.8652964 0.0000000 -0.1411961 -0.0000000 3.6477955 3 Ho 3.9786859 0.0000000 -0.2606953 0.0000000 3.8652964 0.0000000 -0.1411961 -0.0000000 3.6477955 4 Ho 3.9786859 0.0000000 0.2606953 0.0000000 3.8652964 0.0000000 0.1411961 -0.0000000 3.6477955 5 F -1.2694127 0.0226683 -0.2467505 0.0166866 -1.5698874 -0.3359729 -0.2744876 -0.3412087 -1.0042023 6 F -1.4398606 0.0000000 -0.2384797 0.0000000 -0.7255215 0.0000000 -0.2589318 -0.0000000 -1.6393909 7 F -1.2694127 -0.0226683 0.2467505 -0.0166866 -1.5698874 -0.3359729 0.2744876 -0.3412087 -1.0042023 8 F -1.4398606 0.0000000 -0.2384797 0.0000000 -0.7255215 0.0000000 -0.2589318 -0.0000000 -1.6393909 9 F -1.4398606 0.0000000 0.2384797 0.0000000 -0.7255215 0.0000000 0.2589318 -0.0000000 -1.6393909 10 F -1.2694127 -0.0226683 0.2467505 -0.0166866 -1.5698874 -0.3359729 0.2744876 -0.3412087 -1.0042023 11 F -1.2694127 -0.0226683 -0.2467505 -0.0166866 -1.5698874 0.3359729 -0.2744876 0.3412087 -1.0042023 12 F -1.2694127 0.0226683 0.2467505 0.0166866 -1.5698874 0.3359729 0.2744876 0.3412087 -1.0042023 13 F -1.2694127 0.0226683 0.2467505 0.0166866 -1.5698874 0.3359729 0.2744876 0.3412087 -1.0042023 14 F -1.4398606 0.0000000 0.2384797 0.0000000 -0.7255215 0.0000000 0.2589318 -0.0000000 -1.6393909 15 F -1.2694127 0.0226683 -0.2467505 0.0166866 -1.5698874 -0.3359729 -0.2744876 -0.3412087 -1.0042023 16 F -1.2694127 -0.0226683 -0.2467505 -0.0166866 -1.5698874 0.3359729 -0.2744876 0.3412087 -1.0042023----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1240Number of blocks in projector: 1240Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 168Use standard eigh solver.Tree of FC basis block matrices:- (1240, 1221), data: False|-- (168, 165), data: True|-- (168, 165), data: True|-- (168, 165), data: True|-- (224, 222), data: True|-- (224, 222), data: True|-- (288, 282), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 240 - Time: 1.800Solver_block: 200 / 240 - Time: 1.748Solver_block: 240 / 240 - Time: 0.769Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.344--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384Permutation basis: 9696/9696Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1240Number of blocks in projector: 1240Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 288Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 224Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 168Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 168Use standard eigh solver.Tree of FC basis block matrices:- (1240, 1221), data: False|-- (168, 165), data: True|-- (168, 165), data: True|-- (168, 165), data: True|-- (224, 222), data: True|-- (224, 222), data: True|-- (288, 282), 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 17:28:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:28:50]-------------------------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 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.295959710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783217869999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.322277960000000Atomic positions (fractional): 1 Ho 0.13030529837604 0.75000000000000 0.56376162336992 164.930 2 Ho 0.63030529837604 0.75000000000000 0.93623837663008 164.930 3 Ho 0.36969470162396 0.25000000000000 0.06376162336992 164.930 4 Ho 0.86969470162396 0.25000000000000 0.43623837663008 164.930 5 F 0.33451739764440 0.93731262689166 0.87982597121440 18.998 6 F 0.97783033216338 0.75000000000000 0.08710834010846 18.998 7 F 0.83451739764440 0.56268737310834 0.62017402878560 18.998 8 F 0.02216966783662 0.25000000000000 0.91289165989154 18.998 9 F 0.47783033216338 0.75000000000000 0.41289165989154 18.998 10 F 0.16548260235560 0.43731262689166 0.37982597121440 18.998 11 F 0.66548260235560 0.43731262689166 0.12017402878560 18.998 12 F 0.83451739764440 0.93731262689166 0.62017402878560 18.998 13 F 0.16548260235560 0.06268737310834 0.37982597121440 18.998 14 F 0.52216966783662 0.25000000000000 0.58710834010846 18.998 15 F 0.66548260235560 0.06268737310834 0.12017402878560 18.998 16 F 0.33451739764440 0.56268737310834 0.87982597121440 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 12.591919420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.566435739999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.644555920000000Atomic positions (fractional): 1 Ho 0.06515264918802 0.37500000000000 0.28188081168496 164.930 > 1 2 Ho 0.56515264918802 0.37500000000000 0.28188081168496 164.930 > 1 3 Ho 0.06515264918802 0.87500000000000 0.28188081168496 164.930 > 1 4 Ho 0.56515264918802 0.87500000000000 0.28188081168496 164.930 > 1 5 Ho 0.06515264918802 0.37500000000000 0.78188081168496 164.930 > 1 6 Ho 0.56515264918802 0.37500000000000 0.78188081168496 164.930 > 1 7 Ho 0.06515264918802 0.87500000000000 0.78188081168496 164.930 > 1 8 Ho 0.56515264918802 0.87500000000000 0.78188081168496 164.930 > 1 9 Ho 0.31515264918802 0.37500000000000 0.46811918831504 164.930 > 9 10 Ho 0.81515264918802 0.37500000000000 0.46811918831504 164.930 > 9 11 Ho 0.31515264918802 0.87500000000000 0.46811918831504 164.930 > 9 12 Ho 0.81515264918802 0.87500000000000 0.46811918831504 164.930 > 9 13 Ho 0.31515264918802 0.37500000000000 0.96811918831504 164.930 > 9 14 Ho 0.81515264918802 0.37500000000000 0.96811918831504 164.930 > 9 15 Ho 0.31515264918802 0.87500000000000 0.96811918831504 164.930 > 9 16 Ho 0.81515264918802 0.87500000000000 0.96811918831504 164.930 > 9 17 Ho 0.18484735081198 0.12500000000000 0.03188081168496 164.930 > 17 18 Ho 0.68484735081198 0.12500000000000 0.03188081168496 164.930 > 17 19 Ho 0.18484735081198 0.62500000000000 0.03188081168496 164.930 > 17 20 Ho 0.68484735081198 0.62500000000000 0.03188081168496 164.930 > 17 21 Ho 0.18484735081198 0.12500000000000 0.53188081168496 164.930 > 17 22 Ho 0.68484735081198 0.12500000000000 0.53188081168496 164.930 > 17 23 Ho 0.18484735081198 0.62500000000000 0.53188081168496 164.930 > 17 24 Ho 0.68484735081198 0.62500000000000 0.53188081168496 164.930 > 17 25 Ho 0.43484735081198 0.12500000000000 0.21811918831504 164.930 > 25 26 Ho 0.93484735081198 0.12500000000000 0.21811918831504 164.930 > 25 27 Ho 0.43484735081198 0.62500000000000 0.21811918831504 164.930 > 25 28 Ho 0.93484735081198 0.62500000000000 0.21811918831504 164.930 > 25 29 Ho 0.43484735081198 0.12500000000000 0.71811918831504 164.930 > 25 30 Ho 0.93484735081198 0.12500000000000 0.71811918831504 164.930 > 25 31 Ho 0.43484735081198 0.62500000000000 0.71811918831504 164.930 > 25 32 Ho 0.93484735081198 0.62500000000000 0.71811918831504 164.930 > 25 33 F 0.16725869882220 0.46865631344583 0.43991298560720 18.998 > 33 34 F 0.66725869882220 0.46865631344583 0.43991298560720 18.998 > 33 35 F 0.16725869882220 0.96865631344583 0.43991298560720 18.998 > 33 36 F 0.66725869882220 0.96865631344583 0.43991298560720 18.998 > 33 37 F 0.16725869882220 0.46865631344583 0.93991298560720 18.998 > 33 38 F 0.66725869882220 0.46865631344583 0.93991298560720 18.998 > 33 39 F 0.16725869882220 0.96865631344583 0.93991298560720 18.998 > 33 40 F 0.66725869882220 0.96865631344583 0.93991298560720 18.998 > 33 41 F 0.48891516608169 0.37500000000000 0.04355417005423 18.998 > 41 42 F 0.98891516608169 0.37500000000000 0.04355417005423 18.998 > 41 43 F 0.48891516608169 0.87500000000000 0.04355417005423 18.998 > 41 44 F 0.98891516608169 0.87500000000000 0.04355417005423 18.998 > 41 45 F 0.48891516608169 0.37500000000000 0.54355417005423 18.998 > 41 46 F 0.98891516608169 0.37500000000000 0.54355417005423 18.998 > 41 47 F 0.48891516608169 0.87500000000000 0.54355417005423 18.998 > 41 48 F 0.98891516608169 0.87500000000000 0.54355417005423 18.998 > 41 49 F 0.41725869882220 0.28134368655417 0.31008701439280 18.998 > 49 50 F 0.91725869882220 0.28134368655417 0.31008701439280 18.998 > 49 51 F 0.41725869882220 0.78134368655417 0.31008701439280 18.998 > 49 52 F 0.91725869882220 0.78134368655417 0.31008701439280 18.998 > 49 53 F 0.41725869882220 0.28134368655417 0.81008701439280 18.998 > 49 54 F 0.91725869882220 0.28134368655417 0.81008701439280 18.998 > 49 55 F 0.41725869882220 0.78134368655417 0.81008701439280 18.998 > 49 56 F 0.91725869882220 0.78134368655417 0.81008701439280 18.998 > 49 57 F 0.01108483391831 0.12500000000000 0.45644582994577 18.998 > 57 58 F 0.51108483391831 0.12500000000000 0.45644582994577 18.998 > 57 59 F 0.01108483391831 0.62500000000000 0.45644582994577 18.998 > 57 60 F 0.51108483391831 0.62500000000000 0.45644582994577 18.998 > 57 61 F 0.01108483391831 0.12500000000000 0.95644582994577 18.998 > 57 62 F 0.51108483391831 0.12500000000000 0.95644582994577 18.998 > 57 63 F 0.01108483391831 0.62500000000000 0.95644582994577 18.998 > 57 64 F 0.51108483391831 0.62500000000000 0.95644582994577 18.998 > 57 65 F 0.23891516608169 0.37500000000000 0.20644582994577 18.998 > 65 66 F 0.73891516608169 0.37500000000000 0.20644582994577 18.998 > 65 67 F 0.23891516608169 0.87500000000000 0.20644582994577 18.998 > 65 68 F 0.73891516608169 0.87500000000000 0.20644582994577 18.998 > 65 69 F 0.23891516608169 0.37500000000000 0.70644582994577 18.998 > 65 70 F 0.73891516608169 0.37500000000000 0.70644582994577 18.998 > 65 71 F 0.23891516608169 0.87500000000000 0.70644582994577 18.998 > 65 72 F 0.73891516608169 0.87500000000000 0.70644582994577 18.998 > 65 73 F 0.08274130117780 0.21865631344583 0.18991298560720 18.998 > 73 74 F 0.58274130117780 0.21865631344583 0.18991298560720 18.998 > 73 75 F 0.08274130117780 0.71865631344583 0.18991298560720 18.998 > 73 76 F 0.58274130117780 0.71865631344583 0.18991298560720 18.998 > 73 77 F 0.08274130117780 0.21865631344583 0.68991298560720 18.998 > 73 78 F 0.58274130117780 0.21865631344583 0.68991298560720 18.998 > 73 79 F 0.08274130117780 0.71865631344583 0.68991298560720 18.998 > 73 80 F 0.58274130117780 0.71865631344583 0.68991298560720 18.998 > 73 81 F 0.33274130117780 0.21865631344583 0.06008701439280 18.998 > 81 82 F 0.83274130117780 0.21865631344583 0.06008701439280 18.998 > 81 83 F 0.33274130117780 0.71865631344583 0.06008701439280 18.998 > 81 84 F 0.83274130117780 0.71865631344583 0.06008701439280 18.998 > 81 85 F 0.33274130117780 0.21865631344583 0.56008701439280 18.998 > 81 86 F 0.83274130117780 0.21865631344583 0.56008701439280 18.998 > 81 87 F 0.33274130117780 0.71865631344583 0.56008701439280 18.998 > 81 88 F 0.83274130117780 0.71865631344583 0.56008701439280 18.998 > 81 89 F 0.41725869882220 0.46865631344583 0.31008701439280 18.998 > 89 90 F 0.91725869882220 0.46865631344583 0.31008701439280 18.998 > 89 91 F 0.41725869882220 0.96865631344583 0.31008701439280 18.998 > 89 92 F 0.91725869882220 0.96865631344583 0.31008701439280 18.998 > 89 93 F 0.41725869882220 0.46865631344583 0.81008701439280 18.998 > 89 94 F 0.91725869882220 0.46865631344583 0.81008701439280 18.998 > 89 95 F 0.41725869882220 0.96865631344583 0.81008701439280 18.998 > 89 96 F 0.91725869882220 0.96865631344583 0.81008701439280 18.998 > 89 97 F 0.08274130117780 0.03134368655417 0.18991298560720 18.998 > 97 98 F 0.58274130117780 0.03134368655417 0.18991298560720 18.998 > 97 99 F 0.08274130117780 0.53134368655417 0.18991298560720 18.998 > 97 100 F 0.58274130117780 0.53134368655417 0.18991298560720 18.998 > 97 101 F 0.08274130117780 0.03134368655417 0.68991298560720 18.998 > 97 102 F 0.58274130117780 0.03134368655417 0.68991298560720 18.998 > 97 103 F 0.08274130117780 0.53134368655417 0.68991298560720 18.998 > 97 104 F 0.58274130117780 0.53134368655417 0.68991298560720 18.998 > 97 105 F 0.26108483391831 0.12500000000000 0.29355417005423 18.998 > 105 106 F 0.76108483391831 0.12500000000000 0.29355417005423 18.998 > 105 107 F 0.26108483391831 0.62500000000000 0.29355417005423 18.998 > 105 108 F 0.76108483391831 0.62500000000000 0.29355417005423 18.998 > 105 109 F 0.26108483391831 0.12500000000000 0.79355417005423 18.998 > 105 110 F 0.76108483391831 0.12500000000000 0.79355417005423 18.998 > 105 111 F 0.26108483391831 0.62500000000000 0.79355417005423 18.998 > 105 112 F 0.76108483391831 0.62500000000000 0.79355417005423 18.998 > 105 113 F 0.33274130117780 0.03134368655417 0.06008701439280 18.998 > 113 114 F 0.83274130117780 0.03134368655417 0.06008701439280 18.998 > 113 115 F 0.33274130117780 0.53134368655417 0.06008701439280 18.998 > 113 116 F 0.83274130117780 0.53134368655417 0.06008701439280 18.998 > 113 117 F 0.33274130117780 0.03134368655417 0.56008701439280 18.998 > 113 118 F 0.83274130117780 0.03134368655417 0.56008701439280 18.998 > 113 119 F 0.33274130117780 0.53134368655417 0.56008701439280 18.998 > 113 120 F 0.83274130117780 0.53134368655417 0.56008701439280 18.998 > 113 121 F 0.16725869882220 0.28134368655417 0.43991298560720 18.998 > 121 122 F 0.66725869882220 0.28134368655417 0.43991298560720 18.998 > 121 123 F 0.16725869882220 0.78134368655417 0.43991298560720 18.998 > 121 124 F 0.66725869882220 0.78134368655417 0.43991298560720 18.998 > 121 125 F 0.16725869882220 0.28134368655417 0.93991298560720 18.998 > 121 126 F 0.66725869882220 0.28134368655417 0.93991298560720 18.998 > 121 127 F 0.16725869882220 0.78134368655417 0.93991298560720 18.998 > 121 128 F 0.66725869882220 0.78134368655417 0.93991298560720 18.998 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.8139083 0.0000000 0.0000000 0.0000000 2.7453814 0.0000000 0.0000000 0.0000000 2.6783888-------------------------- Born effective charges -------------------------- 1 Ho 3.9786859 0.0000000 0.2606953 0.0000000 3.8652964 0.0000000 0.1411961 -0.0000000 3.6477955 2 Ho 3.9786859 0.0000000 -0.2606953 0.0000000 3.8652964 0.0000000 -0.1411961 -0.0000000 3.6477955 3 Ho 3.9786859 0.0000000 -0.2606953 0.0000000 3.8652964 0.0000000 -0.1411961 -0.0000000 3.6477955 4 Ho 3.9786859 0.0000000 0.2606953 0.0000000 3.8652964 0.0000000 0.1411961 -0.0000000 3.6477955 5 F -1.2694127 0.0226683 -0.2467505 0.0166866 -1.5698874 -0.3359729 -0.2744876 -0.3412087 -1.0042023 6 F -1.4398606 0.0000000 -0.2384797 0.0000000 -0.7255215 0.0000000 -0.2589318 -0.0000000 -1.6393909 7 F -1.2694127 -0.0226683 0.2467505 -0.0166866 -1.5698874 -0.3359729 0.2744876 -0.3412087 -1.0042023 8 F -1.4398606 0.0000000 -0.2384797 0.0000000 -0.7255215 0.0000000 -0.2589318 -0.0000000 -1.6393909 9 F -1.4398606 0.0000000 0.2384797 0.0000000 -0.7255215 0.0000000 0.2589318 -0.0000000 -1.6393909 10 F -1.2694127 -0.0226683 0.2467505 -0.0166866 -1.5698874 -0.3359729 0.2744876 -0.3412087 -1.0042023 11 F -1.2694127 -0.0226683 -0.2467505 -0.0166866 -1.5698874 0.3359729 -0.2744876 0.3412087 -1.0042023 12 F -1.2694127 0.0226683 0.2467505 0.0166866 -1.5698874 0.3359729 0.2744876 0.3412087 -1.0042023 13 F -1.2694127 0.0226683 0.2467505 0.0166866 -1.5698874 0.3359729 0.2744876 0.3412087 -1.0042023 14 F -1.4398606 0.0000000 0.2384797 0.0000000 -0.7255215 0.0000000 0.2589318 -0.0000000 -1.6393909 15 F -1.2694127 0.0226683 -0.2467505 0.0166866 -1.5698874 -0.3359729 -0.2744876 -0.3412087 -1.0042023 16 F -1.2694127 -0.0226683 -0.2467505 -0.0166866 -1.5698874 0.3359729 -0.2744876 0.3412087 -1.0042023----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 41, 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: -0.00000005 (xzx) -0.00000005 (xzx) -0.00000005 (xxz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000005 (zx) 0.00000005 (zx) 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 17:29:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 17:29:06]-------------------------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 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.295959710000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.783217869999999 0.000000000000000 c 0.000000000000000 0.000000000000000 4.322277960000000Atomic positions (fractional): 1 Ho 0.13030529837604 0.75000000000000 0.56376162336992 164.930 2 Ho 0.63030529837604 0.75000000000000 0.93623837663008 164.930 3 Ho 0.36969470162396 0.25000000000000 0.06376162336992 164.930 4 Ho 0.86969470162396 0.25000000000000 0.43623837663008 164.930 5 F 0.33451739764440 0.93731262689166 0.87982597121440 18.998 6 F 0.97783033216338 0.75000000000000 0.08710834010846 18.998 7 F 0.83451739764440 0.56268737310834 0.62017402878560 18.998 8 F 0.02216966783662 0.25000000000000 0.91289165989154 18.998 9 F 0.47783033216338 0.75000000000000 0.41289165989154 18.998 10 F 0.16548260235560 0.43731262689166 0.37982597121440 18.998 11 F 0.66548260235560 0.43731262689166 0.12017402878560 18.998 12 F 0.83451739764440 0.93731262689166 0.62017402878560 18.998 13 F 0.16548260235560 0.06268737310834 0.37982597121440 18.998 14 F 0.52216966783662 0.25000000000000 0.58710834010846 18.998 15 F 0.66548260235560 0.06268737310834 0.12017402878560 18.998 16 F 0.33451739764440 0.56268737310834 0.87982597121440 18.998-------------------------------- supercell ---------------------------------Lattice vectors: a 12.591919420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.566435739999998 0.000000000000000 c 0.000000000000000 0.000000000000000 8.644555920000000Atomic positions (fractional): 1 Ho 0.06515264918802 0.37500000000000 0.28188081168496 164.930 > 1 2 Ho 0.56515264918802 0.37500000000000 0.28188081168496 164.930 > 1 3 Ho 0.06515264918802 0.87500000000000 0.28188081168496 164.930 > 1 4 Ho 0.56515264918802 0.87500000000000 0.28188081168496 164.930 > 1 5 Ho 0.06515264918802 0.37500000000000 0.78188081168496 164.930 > 1 6 Ho 0.56515264918802 0.37500000000000 0.78188081168496 164.930 > 1 7 Ho 0.06515264918802 0.87500000000000 0.78188081168496 164.930 > 1 8 Ho 0.56515264918802 0.87500000000000 0.78188081168496 164.930 > 1 9 Ho 0.31515264918802 0.37500000000000 0.46811918831504 164.930 > 9 10 Ho 0.81515264918802 0.37500000000000 0.46811918831504 164.930 > 9 11 Ho 0.31515264918802 0.87500000000000 0.46811918831504 164.930 > 9 12 Ho 0.81515264918802 0.87500000000000 0.46811918831504 164.930 > 9 13 Ho 0.31515264918802 0.37500000000000 0.96811918831504 164.930 > 9 14 Ho 0.81515264918802 0.37500000000000 0.96811918831504 164.930 > 9 15 Ho 0.31515264918802 0.87500000000000 0.96811918831504 164.930 > 9 16 Ho 0.81515264918802 0.87500000000000 0.96811918831504 164.930 > 9 17 Ho 0.18484735081198 0.12500000000000 0.03188081168496 164.930 > 17 18 Ho 0.68484735081198 0.12500000000000 0.03188081168496 164.930 > 17 19 Ho 0.18484735081198 0.62500000000000 0.03188081168496 164.930 > 17 20 Ho 0.68484735081198 0.62500000000000 0.03188081168496 164.930 > 17 21 Ho 0.18484735081198 0.12500000000000 0.53188081168496 164.930 > 17 22 Ho 0.68484735081198 0.12500000000000 0.53188081168496 164.930 > 17 23 Ho 0.18484735081198 0.62500000000000 0.53188081168496 164.930 > 17 24 Ho 0.68484735081198 0.62500000000000 0.53188081168496 164.930 > 17 25 Ho 0.43484735081198 0.12500000000000 0.21811918831504 164.930 > 25 26 Ho 0.93484735081198 0.12500000000000 0.21811918831504 164.930 > 25 27 Ho 0.43484735081198 0.62500000000000 0.21811918831504 164.930 > 25 28 Ho 0.93484735081198 0.62500000000000 0.21811918831504 164.930 > 25 29 Ho 0.43484735081198 0.12500000000000 0.71811918831504 164.930 > 25 30 Ho 0.93484735081198 0.12500000000000 0.71811918831504 164.930 > 25 31 Ho 0.43484735081198 0.62500000000000 0.71811918831504 164.930 > 25 32 Ho 0.93484735081198 0.62500000000000 0.71811918831504 164.930 > 25 33 F 0.16725869882220 0.46865631344583 0.43991298560720 18.998 > 33 34 F 0.66725869882220 0.46865631344583 0.43991298560720 18.998 > 33 35 F 0.16725869882220 0.96865631344583 0.43991298560720 18.998 > 33 36 F 0.66725869882220 0.96865631344583 0.43991298560720 18.998 > 33 37 F 0.16725869882220 0.46865631344583 0.93991298560720 18.998 > 33 38 F 0.66725869882220 0.46865631344583 0.93991298560720 18.998 > 33 39 F 0.16725869882220 0.96865631344583 0.93991298560720 18.998 > 33 40 F 0.66725869882220 0.96865631344583 0.93991298560720 18.998 > 33 41 F 0.48891516608169 0.37500000000000 0.04355417005423 18.998 > 41 42 F 0.98891516608169 0.37500000000000 0.04355417005423 18.998 > 41 43 F 0.48891516608169 0.87500000000000 0.04355417005423 18.998 > 41 44 F 0.98891516608169 0.87500000000000 0.04355417005423 18.998 > 41 45 F 0.48891516608169 0.37500000000000 0.54355417005423 18.998 > 41 46 F 0.98891516608169 0.37500000000000 0.54355417005423 18.998 > 41 47 F 0.48891516608169 0.87500000000000 0.54355417005423 18.998 > 41 48 F 0.98891516608169 0.87500000000000 0.54355417005423 18.998 > 41 49 F 0.41725869882220 0.28134368655417 0.31008701439280 18.998 > 49 50 F 0.91725869882220 0.28134368655417 0.31008701439280 18.998 > 49 51 F 0.41725869882220 0.78134368655417 0.31008701439280 18.998 > 49 52 F 0.91725869882220 0.78134368655417 0.31008701439280 18.998 > 49 53 F 0.41725869882220 0.28134368655417 0.81008701439280 18.998 > 49 54 F 0.91725869882220 0.28134368655417 0.81008701439280 18.998 > 49 55 F 0.41725869882220 0.78134368655417 0.81008701439280 18.998 > 49 56 F 0.91725869882220 0.78134368655417 0.81008701439280 18.998 > 49 57 F 0.01108483391831 0.12500000000000 0.45644582994577 18.998 > 57 58 F 0.51108483391831 0.12500000000000 0.45644582994577 18.998 > 57 59 F 0.01108483391831 0.62500000000000 0.45644582994577 18.998 > 57 60 F 0.51108483391831 0.62500000000000 0.45644582994577 18.998 > 57 61 F 0.01108483391831 0.12500000000000 0.95644582994577 18.998 > 57 62 F 0.51108483391831 0.12500000000000 0.95644582994577 18.998 > 57 63 F 0.01108483391831 0.62500000000000 0.95644582994577 18.998 > 57 64 F 0.51108483391831 0.62500000000000 0.95644582994577 18.998 > 57 65 F 0.23891516608169 0.37500000000000 0.20644582994577 18.998 > 65 66 F 0.73891516608169 0.37500000000000 0.20644582994577 18.998 > 65 67 F 0.23891516608169 0.87500000000000 0.20644582994577 18.998 > 65 68 F 0.73891516608169 0.87500000000000 0.20644582994577 18.998 > 65 69 F 0.23891516608169 0.37500000000000 0.70644582994577 18.998 > 65 70 F 0.73891516608169 0.37500000000000 0.70644582994577 18.998 > 65 71 F 0.23891516608169 0.87500000000000 0.70644582994577 18.998 > 65 72 F 0.73891516608169 0.87500000000000 0.70644582994577 18.998 > 65 73 F 0.08274130117780 0.21865631344583 0.18991298560720 18.998 > 73 74 F 0.58274130117780 0.21865631344583 0.18991298560720 18.998 > 73 75 F 0.08274130117780 0.71865631344583 0.18991298560720 18.998 > 73 76 F 0.58274130117780 0.71865631344583 0.18991298560720 18.998 > 73 77 F 0.08274130117780 0.21865631344583 0.68991298560720 18.998 > 73 78 F 0.58274130117780 0.21865631344583 0.68991298560720 18.998 > 73 79 F 0.08274130117780 0.71865631344583 0.68991298560720 18.998 > 73 80 F 0.58274130117780 0.71865631344583 0.68991298560720 18.998 > 73 81 F 0.33274130117780 0.21865631344583 0.06008701439280 18.998 > 81 82 F 0.83274130117780 0.21865631344583 0.06008701439280 18.998 > 81 83 F 0.33274130117780 0.71865631344583 0.06008701439280 18.998 > 81 84 F 0.83274130117780 0.71865631344583 0.06008701439280 18.998 > 81 85 F 0.33274130117780 0.21865631344583 0.56008701439280 18.998 > 81 86 F 0.83274130117780 0.21865631344583 0.56008701439280 18.998 > 81 87 F 0.33274130117780 0.71865631344583 0.56008701439280 18.998 > 81 88 F 0.83274130117780 0.71865631344583 0.56008701439280 18.998 > 81 89 F 0.41725869882220 0.46865631344583 0.31008701439280 18.998 > 89 90 F 0.91725869882220 0.46865631344583 0.31008701439280 18.998 > 89 91 F 0.41725869882220 0.96865631344583 0.31008701439280 18.998 > 89 92 F 0.91725869882220 0.96865631344583 0.31008701439280 18.998 > 89 93 F 0.41725869882220 0.46865631344583 0.81008701439280 18.998 > 89 94 F 0.91725869882220 0.46865631344583 0.81008701439280 18.998 > 89 95 F 0.41725869882220 0.96865631344583 0.81008701439280 18.998 > 89 96 F 0.91725869882220 0.96865631344583 0.81008701439280 18.998 > 89 97 F 0.08274130117780 0.03134368655417 0.18991298560720 18.998 > 97 98 F 0.58274130117780 0.03134368655417 0.18991298560720 18.998 > 97 99 F 0.08274130117780 0.53134368655417 0.18991298560720 18.998 > 97 100 F 0.58274130117780 0.53134368655417 0.18991298560720 18.998 > 97 101 F 0.08274130117780 0.03134368655417 0.68991298560720 18.998 > 97 102 F 0.58274130117780 0.03134368655417 0.68991298560720 18.998 > 97 103 F 0.08274130117780 0.53134368655417 0.68991298560720 18.998 > 97 104 F 0.58274130117780 0.53134368655417 0.68991298560720 18.998 > 97 105 F 0.26108483391831 0.12500000000000 0.29355417005423 18.998 > 105 106 F 0.76108483391831 0.12500000000000 0.29355417005423 18.998 > 105 107 F 0.26108483391831 0.62500000000000 0.29355417005423 18.998 > 105 108 F 0.76108483391831 0.62500000000000 0.29355417005423 18.998 > 105 109 F 0.26108483391831 0.12500000000000 0.79355417005423 18.998 > 105 110 F 0.76108483391831 0.12500000000000 0.79355417005423 18.998 > 105 111 F 0.26108483391831 0.62500000000000 0.79355417005423 18.998 > 105 112 F 0.76108483391831 0.62500000000000 0.79355417005423 18.998 > 105 113 F 0.33274130117780 0.03134368655417 0.06008701439280 18.998 > 113 114 F 0.83274130117780 0.03134368655417 0.06008701439280 18.998 > 113 115 F 0.33274130117780 0.53134368655417 0.06008701439280 18.998 > 113 116 F 0.83274130117780 0.53134368655417 0.06008701439280 18.998 > 113 117 F 0.33274130117780 0.03134368655417 0.56008701439280 18.998 > 113 118 F 0.83274130117780 0.03134368655417 0.56008701439280 18.998 > 113 119 F 0.33274130117780 0.53134368655417 0.56008701439280 18.998 > 113 120 F 0.83274130117780 0.53134368655417 0.56008701439280 18.998 > 113 121 F 0.16725869882220 0.28134368655417 0.43991298560720 18.998 > 121 122 F 0.66725869882220 0.28134368655417 0.43991298560720 18.998 > 121 123 F 0.16725869882220 0.78134368655417 0.43991298560720 18.998 > 121 124 F 0.66725869882220 0.78134368655417 0.43991298560720 18.998 > 121 125 F 0.16725869882220 0.28134368655417 0.93991298560720 18.998 > 121 126 F 0.66725869882220 0.28134368655417 0.93991298560720 18.998 > 121 127 F 0.16725869882220 0.78134368655417 0.93991298560720 18.998 > 121 128 F 0.66725869882220 0.78134368655417 0.93991298560720 18.998 > 121----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.8139083 0.0000000 0.0000000 0.0000000 2.7453814 0.0000000 0.0000000 0.0000000 2.6783888-------------------------- Born effective charges -------------------------- 1 Ho 3.9786859 0.0000000 0.2606953 0.0000000 3.8652964 0.0000000 0.1411961 -0.0000000 3.6477955 2 Ho 3.9786859 0.0000000 -0.2606953 0.0000000 3.8652964 0.0000000 -0.1411961 -0.0000000 3.6477955 3 Ho 3.9786859 0.0000000 -0.2606953 0.0000000 3.8652964 0.0000000 -0.1411961 -0.0000000 3.6477955 4 Ho 3.9786859 0.0000000 0.2606953 0.0000000 3.8652964 0.0000000 0.1411961 -0.0000000 3.6477955 5 F -1.2694127 0.0226683 -0.2467505 0.0166866 -1.5698874 -0.3359729 -0.2744876 -0.3412087 -1.0042023 6 F -1.4398606 0.0000000 -0.2384797 0.0000000 -0.7255215 0.0000000 -0.2589318 -0.0000000 -1.6393909 7 F -1.2694127 -0.0226683 0.2467505 -0.0166866 -1.5698874 -0.3359729 0.2744876 -0.3412087 -1.0042023 8 F -1.4398606 0.0000000 -0.2384797 0.0000000 -0.7255215 0.0000000 -0.2589318 -0.0000000 -1.6393909 9 F -1.4398606 0.0000000 0.2384797 0.0000000 -0.7255215 0.0000000 0.2589318 -0.0000000 -1.6393909 10 F -1.2694127 -0.0226683 0.2467505 -0.0166866 -1.5698874 -0.3359729 0.2744876 -0.3412087 -1.0042023 11 F -1.2694127 -0.0226683 -0.2467505 -0.0166866 -1.5698874 0.3359729 -0.2744876 0.3412087 -1.0042023 12 F -1.2694127 0.0226683 0.2467505 0.0166866 -1.5698874 0.3359729 0.2744876 0.3412087 -1.0042023 13 F -1.2694127 0.0226683 0.2467505 0.0166866 -1.5698874 0.3359729 0.2744876 0.3412087 -1.0042023 14 F -1.4398606 0.0000000 0.2384797 0.0000000 -0.7255215 0.0000000 0.2589318 -0.0000000 -1.6393909 15 F -1.2694127 0.0226683 -0.2467505 0.0166866 -1.5698874 -0.3359729 -0.2744876 -0.3412087 -1.0042023 16 F -1.2694127 -0.0226683 -0.2467505 -0.0166866 -1.5698874 0.3359729 -0.2744876 0.3412087 -1.0042023----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000005 (xzx) -0.00000005 (xzx) -0.00000005 (xxz)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 ... [ 8 7 12 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.73, Number of G-points: 307, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/140) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating 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 2.755 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.423 ( 0.000 0.000 0.000) 0.000 7.910 ( 0.000 0.000 0.000) 0.000 8.054 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.410 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 9.784 ( 0.000 0.000 0.000) 0.000 9.806 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.279 ( 0.000 0.000 0.000) 0.000 10.416 ( 0.000 0.000 0.000) 0.000 10.439 ( 0.000 0.000 0.000) 0.000 10.455 ( 0.000 0.000 0.000) 0.000 10.919 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 11.937 ( 0.000 0.000 0.000) 0.000 12.201 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 13.129 ( 0.000 0.000 0.000) 0.000 13.349 ( 0.000 0.000 0.000) 0.000 14.775 ( 0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/140) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.578 ( 28.869 0.000 0.000) 28.869 0.584 ( 29.121 0.000 0.000) 29.121 1.071 ( 52.993 0.000 0.000) 52.993 2.812 ( 4.041 0.000 0.000) 4.041 2.855 ( 1.877 0.000 0.000) 1.877 3.284 ( 2.177 0.000 0.000) 2.177 3.558 ( -18.843 0.000 0.000) 18.843 3.873 ( 0.135 0.000 0.000) 0.135 3.934 ( 5.161 0.000 0.000) 5.161 4.025 ( 2.041 0.000 0.000) 2.041 4.098 ( -0.144 0.000 0.000) 0.144 5.110 ( -3.293 0.000 0.000) 3.293 5.410 ( 10.231 0.000 0.000) 10.231 5.677 ( -2.381 0.000 0.000) 2.381 5.814 ( 4.027 0.000 0.000) 4.027 5.912 ( -3.718 0.000 0.000) 3.718 6.090 ( -11.295 0.000 0.000) 11.295 6.173 ( 0.816 0.000 0.000) 0.816 6.239 ( -8.169 0.000 0.000) 8.169 6.635 ( -5.056 0.000 0.000) 5.056 6.857 ( -14.223 0.000 0.000) 14.223 7.354 ( -6.540 0.000 0.000) 6.540 7.504 ( 17.316 0.000 0.000) 17.316 7.950 ( 3.884 0.000 0.000) 3.884 8.128 ( 7.068 0.000 0.000) 7.068 8.443 ( 6.071 0.000 0.000) 6.071 8.491 ( 7.538 0.000 0.000) 7.538 9.208 ( -2.417 0.000 0.000) 2.417 9.340 ( -4.632 0.000 0.000) 4.632 9.349 ( -6.650 0.000 0.000) 6.650 9.822 ( 1.904 0.000 0.000) 1.904 10.232 ( -4.624 0.000 0.000) 4.624 10.263 ( -1.590 0.000 0.000) 1.590 10.420 ( -3.448 0.000 0.000) 3.448 10.425 ( -1.222 0.000 0.000) 1.222 10.449 ( 3.529 0.000 0.000) 3.529 10.924 ( 0.834 0.000 0.000) 0.834 10.961 ( -8.043 0.000 0.000) 8.043 11.118 ( -3.028 0.000 0.000) 3.028 11.268 ( -0.304 0.000 0.000) 0.304 12.000 ( 5.669 0.000 0.000) 5.669 12.276 ( 7.160 0.000 0.000) 7.160 12.566 ( -1.147 0.000 0.000) 1.147 13.161 ( 3.184 0.000 0.000) 3.184 13.313 ( -3.494 0.000 0.000) 3.494 13.895 ( -2.611 0.000 0.000) 2.611 15.106 ( 3.700 0.000 0.000) 3.700 15.551 ( -0.533 0.000 0.000) 0.533======================= Grid point 2 (3/140) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.142 ( 27.759 0.000 0.000) 27.759 1.150 ( 27.737 0.000 0.000) 27.737 2.064 ( 44.226 0.000 0.000) 44.226 2.848 ( 0.889 0.000 0.000) 0.889 2.911 ( 3.814 0.000 0.000) 3.814 3.135 ( -22.882 0.000 0.000) 22.882 3.332 ( 0.442 0.000 0.000) 0.442 3.971 ( 12.202 0.000 0.000) 12.202 4.042 ( 0.225 0.000 0.000) 0.225 4.071 ( 8.083 0.000 0.000) 8.083 4.092 ( -0.451 0.000 0.000) 0.451 5.018 ( -5.660 0.000 0.000) 5.660 5.553 ( 2.716 0.000 0.000) 2.716 5.595 ( -25.233 0.000 0.000) 25.233 5.618 ( -3.161 0.000 0.000) 3.161 5.937 ( -14.667 0.000 0.000) 14.667 6.003 ( 14.992 0.000 0.000) 14.992 6.054 ( -1.741 0.000 0.000) 1.741 6.197 ( 1.624 0.000 0.000) 1.624 6.515 ( -6.398 0.000 0.000) 6.398 6.597 ( -11.955 0.000 0.000) 11.955 7.184 ( -10.208 0.000 0.000) 10.208 7.843 ( 16.363 0.000 0.000) 16.363 8.057 ( 6.573 0.000 0.000) 6.573 8.311 ( 10.787 0.000 0.000) 10.787 8.608 ( 9.976 0.000 0.000) 9.976 8.671 ( 9.550 0.000 0.000) 9.550 9.135 ( -4.956 0.000 0.000) 4.956 9.216 ( -6.385 0.000 0.000) 6.385 9.217 ( -7.279 0.000 0.000) 7.279 9.820 ( -1.859 0.000 0.000) 1.859 10.105 ( -7.695 0.000 0.000) 7.695 10.211 ( -3.615 0.000 0.000) 3.615 10.323 ( -6.151 0.000 0.000) 6.151 10.404 ( -0.542 0.000 0.000) 0.542 10.552 ( 6.401 0.000 0.000) 6.401 10.770 ( -10.196 0.000 0.000) 10.196 10.962 ( 3.118 0.000 0.000) 3.118 11.036 ( -4.970 0.000 0.000) 4.970 11.253 ( -1.287 0.000 0.000) 1.287 12.133 ( 7.134 0.000 0.000) 7.134 12.462 ( 10.936 0.000 0.000) 10.936 12.531 ( -2.361 0.000 0.000) 2.361 13.218 ( -5.969 0.000 0.000) 5.969 13.250 ( 5.694 0.000 0.000) 5.694 13.816 ( -5.334 0.000 0.000) 5.334 15.203 ( 5.715 0.000 0.000) 5.715 15.532 ( -1.399 0.000 0.000) 1.399======================= Grid point 3 (4/140) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 25.061 0.000 0.000) 25.061 1.678 ( 26.252 0.000 0.000) 26.252 2.438 ( -7.716 0.000 0.000) 7.716 2.669 ( -23.949 0.000 0.000) 23.949 3.005 ( 5.517 0.000 0.000) 5.517 3.184 ( 19.635 0.000 0.000) 19.635 3.317 ( 13.580 0.000 0.000) 13.580 4.047 ( 0.440 0.000 0.000) 0.440 4.079 ( -0.836 0.000 0.000) 0.836 4.216 ( 4.372 0.000 0.000) 4.372 4.339 ( 21.678 0.000 0.000) 21.678 4.909 ( -3.817 0.000 0.000) 3.817 5.025 ( -29.877 0.000 0.000) 29.877 5.524 ( -24.062 0.000 0.000) 24.062 5.558 ( -0.918 0.000 0.000) 0.918 5.564 ( -2.007 0.000 0.000) 2.007 6.104 ( 4.490 0.000 0.000) 4.490 6.239 ( 2.632 0.000 0.000) 2.632 6.340 ( 17.320 0.000 0.000) 17.320 6.383 ( -9.544 0.000 0.000) 9.544 6.397 ( -5.142 0.000 0.000) 5.142 6.954 ( -12.871 0.000 0.000) 12.871 8.128 ( 11.418 0.000 0.000) 11.418 8.191 ( 6.180 0.000 0.000) 6.180 8.538 ( 11.689 0.000 0.000) 11.689 8.809 ( 9.368 0.000 0.000) 9.368 8.822 ( 3.878 0.000 0.000) 3.878 9.020 ( -5.789 0.000 0.000) 5.789 9.077 ( -5.866 0.000 0.000) 5.866 9.098 ( -5.417 0.000 0.000) 5.417 9.786 ( -0.550 0.000 0.000) 0.550 9.947 ( -7.724 0.000 0.000) 7.724 10.134 ( -3.454 0.000 0.000) 3.454 10.192 ( -6.355 0.000 0.000) 6.355 10.412 ( 1.490 0.000 0.000) 1.490 10.587 ( -7.773 0.000 0.000) 7.773 10.683 ( 6.514 0.000 0.000) 6.514 10.928 ( -5.830 0.000 0.000) 5.830 11.044 ( 4.801 0.000 0.000) 4.801 11.213 ( -2.890 0.000 0.000) 2.890 12.269 ( 6.439 0.000 0.000) 6.439 12.472 ( -3.687 0.000 0.000) 3.687 12.688 ( 11.405 0.000 0.000) 11.405 13.079 ( -7.945 0.000 0.000) 7.945 13.381 ( 7.309 0.000 0.000) 7.309 13.688 ( -7.323 0.000 0.000) 7.323 15.319 ( 5.694 0.000 0.000) 5.694 15.492 ( -2.752 0.000 0.000) 2.752======================= Grid point 4 (5/140) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( -20.241 0.000 0.000) 20.241 2.131 ( 20.241 0.000 0.000) 20.241 2.185 ( -24.862 0.000 0.000) 24.862 2.185 ( 24.862 0.000 0.000) 24.862 3.125 ( -6.408 0.000 0.000) 6.408 3.125 ( 6.408 0.000 0.000) 6.408 4.002 ( -30.519 0.000 0.000) 30.519 4.002 ( 30.519 0.000 0.000) 30.519 4.061 ( -0.898 0.000 0.000) 0.898 4.061 ( 0.898 0.000 0.000) 0.898 4.630 ( -7.474 0.000 0.000) 7.474 4.630 ( 7.474 0.000 0.000) 7.474 5.049 ( -20.647 0.000 0.000) 20.647 5.049 ( 20.647 0.000 0.000) 20.647 5.545 ( -0.047 0.000 0.000) 0.047 5.545 ( 0.047 0.000 0.000) 0.047 6.219 ( -7.026 0.000 0.000) 7.026 6.219 ( 7.026 0.000 0.000) 7.026 6.304 ( -3.914 0.000 0.000) 3.914 6.304 ( 3.914 0.000 0.000) 3.914 6.672 ( -15.558 0.000 0.000) 15.558 6.672 ( 15.558 0.000 0.000) 15.558 8.256 ( -0.966 0.000 0.000) 0.966 8.256 ( 0.966 0.000 0.000) 0.966 8.754 ( -9.183 0.000 0.000) 9.183 8.754 ( 9.183 0.000 0.000) 9.183 8.944 ( -3.825 0.000 0.000) 3.825 8.944 ( 3.825 0.000 0.000) 3.825 9.023 ( -1.031 0.000 0.000) 1.031 9.023 ( 1.031 0.000 0.000) 1.031 9.822 ( -4.320 0.000 0.000) 4.320 9.822 ( 4.320 0.000 0.000) 4.320 10.107 ( -1.432 0.000 0.000) 1.432 10.107 ( 1.432 0.000 0.000) 1.432 10.468 ( -4.254 0.000 0.000) 4.254 10.468 ( 4.254 0.000 0.000) 4.254 10.809 ( -6.141 0.000 0.000) 6.141 10.809 ( 6.141 0.000 0.000) 6.141 11.139 ( -4.452 0.000 0.000) 4.452 11.139 ( 4.452 0.000 0.000) 4.452 12.384 ( -5.104 0.000 0.000) 5.104 12.384 ( 5.104 0.000 0.000) 5.104 12.902 ( -9.947 0.000 0.000) 9.947 12.902 ( 9.947 0.000 0.000) 9.947 13.534 ( -7.956 0.000 0.000) 7.956 13.534 ( 7.956 0.000 0.000) 7.956 15.421 ( -4.393 0.000 0.000) 4.393 15.421 ( 4.393 0.000 0.000) 4.393======================= Grid point 9 (6/140) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.597 ( 0.000 28.234 0.000) 28.234 0.603 ( 0.000 28.383 0.000) 28.383 1.173 ( 0.000 54.723 0.000) 54.723 2.728 ( 0.000 -3.408 0.000) 3.408 2.763 ( 0.000 -6.872 0.000) 6.872 3.251 ( 0.000 -0.653 0.000) 0.653 3.707 ( 0.000 -6.023 0.000) 6.023 3.836 ( 0.000 -4.006 0.000) 4.006 3.892 ( 0.000 -6.749 0.000) 6.749 3.958 ( 0.000 4.958 0.000) 4.958 4.166 ( 0.000 5.503 0.000) 5.503 5.136 ( 0.000 -0.721 0.000) 0.721 5.323 ( 0.000 4.001 0.000) 4.001 5.406 ( 0.000 -21.912 0.000) 21.912 5.579 ( 0.000 -11.271 0.000) 11.271 6.116 ( 0.000 1.786 0.000) 1.786 6.313 ( 0.000 8.975 0.000) 8.975 6.361 ( 0.000 4.706 0.000) 4.706 6.714 ( 0.000 2.373 0.000) 2.373 6.775 ( 0.000 0.156 0.000) 0.156 7.126 ( 0.000 -5.356 0.000) 5.356 7.315 ( 0.000 -1.404 0.000) 1.404 7.438 ( 0.000 2.238 0.000) 2.238 7.661 ( 0.000 -14.943 0.000) 14.943 7.873 ( 0.000 3.008 0.000) 3.008 8.239 ( 0.000 9.141 0.000) 9.141 8.381 ( 0.000 0.196 0.000) 0.196 8.385 ( 0.000 -2.294 0.000) 2.294 9.452 ( 0.000 2.198 0.000) 2.198 9.750 ( 0.000 -4.672 0.000) 4.672 9.771 ( 0.000 -11.696 0.000) 11.696 9.799 ( 0.000 1.249 0.000) 1.249 10.369 ( 0.000 7.520 0.000) 7.520 10.413 ( 0.000 -0.268 0.000) 0.268 10.423 ( 0.000 -1.461 0.000) 1.461 10.474 ( 0.000 12.536 0.000) 12.536 10.547 ( 0.000 7.639 0.000) 7.639 11.030 ( 0.000 10.682 0.000) 10.682 11.291 ( 0.000 2.065 0.000) 2.065 11.772 ( 0.000 -1.694 0.000) 1.694 11.864 ( 0.000 -20.927 0.000) 20.927 11.969 ( 0.000 3.188 0.000) 3.188 12.781 ( 0.000 3.013 0.000) 3.013 13.233 ( 0.000 15.157 0.000) 15.157 13.252 ( 0.000 -8.912 0.000) 8.912 14.792 ( 0.000 1.545 0.000) 1.545 14.883 ( 0.000 1.230 0.000) 1.230 15.466 ( 0.000 -8.435 0.000) 8.435======================= Grid point 10 (7/140) =======================q-point: ( 0.12 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( 19.156 20.578 0.000) 28.114 0.830 ( 19.994 19.839 0.000) 28.167 1.593 ( 35.434 39.613 0.000) 53.149 2.782 ( 1.923 -6.782 0.000) 7.050 2.804 ( 5.965 -1.636 0.000) 6.185 3.244 ( -0.026 -2.680 0.000) 2.680 3.496 ( -16.616 -4.705 0.000) 17.269 3.828 ( 0.006 -4.060 0.000) 4.060 3.963 ( 4.830 -1.597 0.000) 5.087 4.004 ( 3.171 1.465 0.000) 3.493 4.164 ( -0.229 5.382 0.000) 5.387 5.077 ( -4.533 -1.563 0.000) 4.794 5.285 ( -1.535 -13.814 0.000) 13.899 5.566 ( -1.199 -10.204 0.000) 10.274 5.578 ( 13.775 -6.324 0.000) 15.158 6.085 ( -6.425 -1.295 0.000) 6.555 6.149 ( -10.542 9.508 0.000) 14.196 6.306 ( -7.623 6.159 0.000) 9.800 6.455 ( -15.500 15.598 0.000) 21.990 6.675 ( -3.473 3.816 0.000) 5.160 6.827 ( -13.617 -2.467 0.000) 13.839 7.341 ( -1.475 -1.395 0.000) 2.030 7.465 ( 9.354 -3.015 0.000) 9.827 7.724 ( 5.931 -14.455 0.000) 15.624 8.285 ( 4.575 8.112 0.000) 9.313 8.442 ( 5.905 0.226 0.000) 5.910 8.479 ( 8.558 -1.151 0.000) 8.635 8.626 ( 28.340 -22.798 0.000) 36.372 9.397 ( -4.666 4.255 0.000) 6.315 9.512 ( -10.709 0.458 0.000) 10.719 9.794 ( -1.029 -1.419 0.000) 1.753 10.065 ( 12.491 -23.517 0.000) 26.629 10.361 ( -2.370 4.891 0.000) 5.435 10.391 ( -6.835 7.887 0.000) 10.436 10.393 ( -1.301 -2.018 0.000) 2.401 10.469 ( 5.254 3.368 0.000) 6.241 10.554 ( -0.876 7.321 0.000) 7.373 11.027 ( 0.108 9.688 0.000) 9.688 11.275 ( -1.911 1.696 0.000) 2.555 11.623 ( -12.475 9.285 0.000) 15.551 11.927 ( 5.776 -20.154 0.000) 20.965 11.972 ( 2.517 0.042 0.000) 2.518 12.790 ( 0.919 3.562 0.000) 3.679 13.246 ( -1.289 -8.195 0.000) 8.295 13.267 ( 3.368 14.941 0.000) 15.316 14.365 ( -20.741 22.901 0.000) 30.897 15.035 ( 5.685 -4.503 0.000) 7.252 15.463 ( -0.362 -8.268 0.000) 8.276======================= Grid point 11 (8/140) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.261 ( 24.746 11.801 0.000) 27.416 1.284 ( 24.257 11.957 0.000) 27.044 2.353 ( 35.008 24.503 0.000) 42.732 2.838 ( 3.451 -6.695 0.000) 7.532 2.884 ( 3.800 3.069 0.000) 4.884 3.123 ( -19.988 -0.542 0.000) 19.995 3.260 ( 0.465 -6.074 0.000) 6.092 3.902 ( 9.015 -6.123 0.000) 10.898 4.025 ( 1.106 -2.412 0.000) 2.654 4.108 ( 7.464 3.311 0.000) 8.165 4.165 ( 1.013 5.789 0.000) 5.877 4.976 ( -5.583 -2.947 0.000) 6.313 5.248 ( -3.382 -18.781 0.000) 19.083 5.540 ( -1.190 -7.383 0.000) 7.479 5.710 ( -22.980 6.070 0.000) 23.769 5.896 ( 14.028 -5.526 0.000) 15.077 6.051 ( -11.610 3.117 0.000) 12.022 6.104 ( -3.301 3.951 0.000) 5.148 6.252 ( -7.228 3.872 0.000) 8.200 6.601 ( -3.531 7.359 0.000) 8.162 6.628 ( -7.021 2.675 0.000) 7.514 7.176 ( -11.130 -0.569 0.000) 11.144 7.750 ( 14.908 -8.124 0.000) 16.977 7.873 ( 8.435 -13.399 0.000) 15.833 8.414 ( 8.180 5.962 0.000) 10.122 8.598 ( 9.239 -0.345 0.000) 9.245 8.679 ( 10.354 0.729 0.000) 10.379 8.911 ( 5.424 -10.838 0.000) 12.120 9.300 ( -4.710 7.161 0.000) 8.571 9.310 ( -9.855 1.527 0.000) 9.973 9.755 ( -2.385 -3.680 0.000) 4.385 10.158 ( -5.501 -0.578 0.000) 5.531 10.272 ( -1.529 -12.298 0.000) 12.393 10.281 ( -4.950 1.936 0.000) 5.315 10.365 ( -1.483 -2.530 0.000) 2.933 10.487 ( -5.721 1.844 0.000) 6.011 10.607 ( 7.761 5.989 0.000) 9.803 11.051 ( 2.550 8.275 0.000) 8.659 11.194 ( -6.561 2.768 0.000) 7.121 11.414 ( -7.199 12.753 0.000) 14.645 12.053 ( 4.752 -4.681 0.000) 6.670 12.059 ( 6.591 -18.834 0.000) 19.954 12.820 ( 2.239 4.233 0.000) 4.789 13.191 ( -4.084 -5.698 0.000) 7.011 13.363 ( 6.193 14.606 0.000) 15.864 14.062 ( -11.569 19.459 0.000) 22.638 15.148 ( 5.816 -4.626 0.000) 7.431 15.449 ( -1.079 -7.788 0.000) 7.862======================= Grid point 12 (9/140) =======================q-point: ( 0.38 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 24.069 7.256 0.000) 25.139 1.760 ( 23.073 7.595 0.000) 24.291 2.538 ( -10.398 8.829 0.000) 13.641 2.691 ( -20.828 2.395 0.000) 20.965 2.946 ( 4.907 -5.046 0.000) 7.038 3.164 ( -0.492 -4.892 0.000) 4.917 3.408 ( 33.607 11.368 0.000) 35.478 4.037 ( 0.321 -1.846 0.000) 1.873 4.061 ( 2.454 -4.548 0.000) 5.168 4.252 ( 5.408 3.004 0.000) 6.186 4.325 ( 17.057 0.803 0.000) 17.076 4.870 ( -3.901 -2.808 0.000) 4.807 5.022 ( -23.302 -4.720 0.000) 23.775 5.279 ( -16.116 -6.469 0.000) 17.366 5.528 ( 0.218 -3.822 0.000) 3.828 5.734 ( -13.912 5.214 0.000) 14.857 6.026 ( 0.314 -4.338 0.000) 4.350 6.130 ( -5.189 -4.942 0.000) 7.166 6.295 ( 16.402 -4.167 0.000) 16.923 6.535 ( -2.727 8.167 0.000) 8.610 6.547 ( -1.628 11.067 0.000) 11.186 6.929 ( -13.550 -1.429 0.000) 13.625 8.005 ( 9.875 -10.635 0.000) 14.513 8.033 ( 6.942 -12.653 0.000) 14.432 8.593 ( 9.262 3.266 0.000) 9.821 8.782 ( 8.594 -1.226 0.000) 8.681 8.815 ( 1.213 -0.675 0.000) 1.388 8.983 ( 3.904 -0.507 0.000) 3.937 9.127 ( -7.712 2.197 0.000) 8.019 9.212 ( -4.204 9.138 0.000) 10.059 9.731 ( 0.689 -2.927 0.000) 3.007 9.973 ( -10.190 3.295 0.000) 10.709 10.191 ( -3.357 1.941 0.000) 3.877 10.254 ( -2.738 -1.790 0.000) 3.271 10.338 ( -1.068 -5.666 0.000) 5.766 10.364 ( -4.802 -9.432 0.000) 10.584 10.758 ( 7.264 6.560 0.000) 9.788 11.044 ( -7.708 5.550 0.000) 9.498 11.125 ( 4.611 7.566 0.000) 8.860 11.311 ( -4.321 9.276 0.000) 10.233 12.140 ( 3.677 -8.625 0.000) 9.376 12.162 ( 3.359 -16.497 0.000) 16.835 12.884 ( 4.185 3.069 0.000) 5.189 13.094 ( -5.467 -3.042 0.000) 6.257 13.506 ( 8.036 14.500 0.000) 16.578 13.858 ( -9.474 15.870 0.000) 18.483 15.261 ( 5.362 -5.278 0.000) 7.524 15.416 ( -2.330 -7.055 0.000) 7.430======================= Grid point 13 (10/140) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.125 ( -1.966 1.771 0.000) 2.646 2.125 ( 1.966 1.771 0.000) 2.646 2.317 ( -5.287 10.346 0.000) 11.619 2.317 ( 5.287 10.346 0.000) 11.619 3.063 ( -6.251 -5.611 0.000) 8.400 3.063 ( 6.251 -5.611 0.000) 8.400 4.014 ( -8.637 -0.268 0.000) 8.641 4.014 ( 8.637 -0.268 0.000) 8.641 4.145 ( -17.116 7.036 0.000) 18.506 4.145 ( 17.116 7.036 0.000) 18.506 4.611 ( -10.779 -1.964 0.000) 10.957 4.611 ( 10.779 -1.964 0.000) 10.957 4.956 ( -14.997 -5.869 0.000) 16.104 4.956 ( 14.997 -5.869 0.000) 16.104 5.563 ( -3.986 0.357 0.000) 4.002 5.563 ( 3.986 0.357 0.000) 4.002 6.051 ( -2.589 -6.949 0.000) 7.415 6.051 ( 2.589 -6.949 0.000) 7.415 6.504 ( -1.299 6.948 0.000) 7.068 6.504 ( 1.299 6.948 0.000) 7.068 6.644 ( -14.420 0.869 0.000) 14.446 6.644 ( 14.420 0.869 0.000) 14.446 8.110 ( -0.263 -12.296 0.000) 12.299 8.110 ( 0.263 -12.296 0.000) 12.299 8.754 ( -6.194 -0.041 0.000) 6.195 8.754 ( 6.194 -0.041 0.000) 6.195 8.930 ( -6.853 -0.293 0.000) 6.859 8.930 ( 6.853 -0.293 0.000) 6.859 9.128 ( -4.414 7.868 0.000) 9.022 9.128 ( 4.414 7.868 0.000) 9.022 9.801 ( -6.434 -0.175 0.000) 6.436 9.801 ( 6.434 -0.175 0.000) 6.436 10.179 ( -2.495 3.928 0.000) 4.653 10.179 ( 2.495 3.928 0.000) 4.653 10.327 ( -0.056 -10.735 0.000) 10.735 10.327 ( 0.056 -10.735 0.000) 10.735 10.898 ( -7.042 6.396 0.000) 9.513 10.898 ( 7.042 6.396 0.000) 9.513 11.221 ( -4.806 7.763 0.000) 9.130 11.221 ( 4.806 7.763 0.000) 9.130 12.187 ( -0.766 -12.661 0.000) 12.685 12.187 ( 0.766 -12.661 0.000) 12.685 12.982 ( -5.545 0.017 0.000) 5.545 12.982 ( 5.545 0.017 0.000) 5.545 13.676 ( -8.934 14.710 0.000) 17.210 13.676 ( 8.934 14.710 0.000) 17.210 15.354 ( -3.946 -6.169 0.000) 7.323 15.354 ( 3.946 -6.169 0.000) 7.323======================= Grid point 18 (11/140) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.184 ( 0.000 27.289 0.000) 27.289 1.189 ( 0.000 27.169 0.000) 27.169 2.278 ( 0.000 48.549 0.000) 48.549 2.550 ( 0.000 -13.358 0.000) 13.358 2.570 ( 0.000 -11.000 0.000) 11.000 3.288 ( 0.000 4.767 0.000) 4.767 3.584 ( 0.000 -5.073 0.000) 5.073 3.719 ( 0.000 -8.721 0.000) 8.721 3.720 ( 0.000 -6.899 0.000) 6.899 4.080 ( 0.000 6.891 0.000) 6.891 4.264 ( 0.000 1.028 0.000) 1.028 4.948 ( 0.000 -20.863 0.000) 20.863 5.111 ( 0.000 -1.702 0.000) 1.702 5.269 ( 0.000 -16.027 0.000) 16.027 5.453 ( 0.000 8.203 0.000) 8.203 6.048 ( 0.000 -6.341 0.000) 6.341 6.474 ( 0.000 5.234 0.000) 5.234 6.493 ( 0.000 5.973 0.000) 5.973 6.785 ( 0.000 0.912 0.000) 0.912 6.796 ( 0.000 5.384 0.000) 5.384 7.008 ( 0.000 -5.548 0.000) 5.548 7.293 ( 0.000 -0.220 0.000) 0.220 7.355 ( 0.000 -13.540 0.000) 13.540 7.449 ( 0.000 -1.417 0.000) 1.417 7.964 ( 0.000 5.333 0.000) 5.333 8.315 ( 0.000 -4.274 0.000) 4.274 8.384 ( 0.000 4.590 0.000) 4.590 8.397 ( 0.000 1.351 0.000) 1.351 9.535 ( 0.000 5.555 0.000) 5.555 9.566 ( 0.000 -6.970 0.000) 6.970 9.637 ( 0.000 -5.556 0.000) 5.556 9.819 ( 0.000 0.108 0.000) 0.108 10.386 ( 0.000 -1.688 0.000) 1.688 10.400 ( 0.000 -0.934 0.000) 0.934 10.556 ( 0.000 9.822 0.000) 9.822 10.710 ( 0.000 9.107 0.000) 9.107 10.722 ( 0.000 7.840 0.000) 7.840 11.358 ( 0.000 19.645 0.000) 19.645 11.361 ( 0.000 4.564 0.000) 4.564 11.439 ( 0.000 -18.927 0.000) 18.927 11.715 ( 0.000 -3.791 0.000) 3.791 12.086 ( 0.000 8.310 0.000) 8.310 12.631 ( 0.000 -13.699 0.000) 13.699 12.996 ( 0.000 -14.810 0.000) 14.810 13.717 ( 0.000 26.684 0.000) 26.684 14.835 ( 0.000 2.323 0.000) 2.323 14.907 ( 0.000 0.821 0.000) 0.821 15.206 ( 0.000 -16.113 0.000) 16.113======================= Grid point 19 (12/140) =======================q-point: ( 0.12 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.307 ( 11.712 24.054 0.000) 26.754 1.315 ( 11.854 25.745 0.000) 28.343 2.493 ( 20.320 41.168 0.000) 45.910 2.574 ( 2.428 -12.884 0.000) 13.111 2.681 ( 9.962 -9.048 0.000) 13.457 3.244 ( -4.135 3.733 0.000) 5.571 3.415 ( -12.156 -2.019 0.000) 12.323 3.710 ( -0.518 -6.907 0.000) 6.926 3.823 ( 5.579 -9.596 0.000) 11.101 4.109 ( 3.121 6.780 0.000) 7.464 4.259 ( -0.238 1.163 0.000) 1.187 4.914 ( -2.566 -18.546 0.000) 18.723 5.047 ( -5.458 -1.584 0.000) 5.683 5.285 ( 1.376 -14.619 0.000) 14.684 5.573 ( 10.763 4.014 0.000) 11.487 6.016 ( -3.464 -5.148 0.000) 6.204 6.313 ( -13.365 6.698 0.000) 14.949 6.424 ( -8.576 3.814 0.000) 9.385 6.680 ( -14.357 6.248 0.000) 15.657 6.776 ( -11.679 -1.931 0.000) 11.838 6.790 ( -0.462 6.694 0.000) 6.710 7.299 ( 4.792 -1.979 0.000) 5.184 7.398 ( -3.585 -3.306 0.000) 4.876 7.416 ( 5.813 -14.163 0.000) 15.309 8.370 ( 26.014 -4.494 0.000) 26.399 8.410 ( 3.360 3.826 0.000) 5.092 8.444 ( 11.483 -2.088 0.000) 11.671 8.464 ( 5.711 1.750 0.000) 5.973 9.465 ( -7.230 -2.910 0.000) 7.794 9.514 ( -1.801 6.548 0.000) 6.791 9.707 ( 4.459 -11.899 0.000) 12.707 9.784 ( -3.211 -0.024 0.000) 3.211 10.322 ( -4.444 -2.833 0.000) 5.270 10.388 ( -2.507 -1.758 0.000) 3.062 10.585 ( -9.298 8.859 0.000) 12.843 10.636 ( 6.920 10.018 0.000) 12.176 10.722 ( -3.119 6.643 0.000) 7.339 11.280 ( -3.108 8.178 0.000) 8.748 11.338 ( -2.369 4.473 0.000) 5.061 11.580 ( 9.312 -6.934 0.000) 11.610 11.684 ( -3.066 -1.636 0.000) 3.475 12.058 ( -1.908 8.404 0.000) 8.618 12.648 ( 1.654 -13.472 0.000) 13.573 12.995 ( -0.368 -14.845 0.000) 14.850 13.745 ( 2.749 26.393 0.000) 26.535 14.687 ( -11.284 9.784 0.000) 14.935 14.960 ( 3.416 -2.687 0.000) 4.346 15.208 ( 0.179 -15.767 0.000) 15.768======================= Grid point 20 (13/140) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.610 ( 17.743 17.913 0.000) 25.213 1.621 ( 17.932 21.131 0.000) 27.714 2.643 ( 4.299 -11.586 0.000) 12.357 2.869 ( 6.097 -4.253 0.000) 7.434 2.951 ( 14.014 21.781 0.000) 25.900 3.150 ( -14.095 3.956 0.000) 14.640 3.204 ( 10.458 8.333 0.000) 13.371 3.732 ( 3.652 -9.429 0.000) 10.111 3.897 ( 1.931 -10.352 0.000) 10.530 4.204 ( 6.134 5.791 0.000) 8.436 4.272 ( 2.343 2.473 0.000) 3.406 4.865 ( -2.532 -16.451 0.000) 16.644 4.929 ( -5.879 -1.114 0.000) 5.983 5.322 ( 2.428 -12.457 0.000) 12.692 5.800 ( -1.131 -0.738 0.000) 1.350 5.855 ( -5.002 4.254 0.000) 6.566 6.057 ( -7.772 0.113 0.000) 7.773 6.181 ( -13.933 1.913 0.000) 14.063 6.334 ( -15.325 4.307 0.000) 15.919 6.670 ( -3.581 -0.063 0.000) 3.581 6.784 ( 0.005 9.347 0.000) 9.347 7.177 ( -10.045 1.278 0.000) 10.126 7.550 ( 11.020 -9.739 0.000) 14.707 7.563 ( 8.392 -15.279 0.000) 17.432 8.511 ( 6.465 3.442 0.000) 7.324 8.606 ( 8.226 0.830 0.000) 8.268 8.699 ( 11.947 1.052 0.000) 11.993 8.763 ( 13.679 -3.501 0.000) 14.120 9.308 ( -8.076 -0.298 0.000) 8.082 9.477 ( -1.752 8.893 0.000) 9.063 9.717 ( -2.667 0.062 0.000) 2.668 9.808 ( 5.906 -17.514 0.000) 18.483 10.223 ( -5.281 -4.792 0.000) 7.131 10.313 ( -4.729 -3.822 0.000) 6.080 10.359 ( -13.045 7.997 0.000) 15.302 10.597 ( -9.203 3.841 0.000) 9.973 10.791 ( 7.990 10.083 0.000) 12.865 11.263 ( 1.267 8.092 0.000) 8.190 11.267 ( -4.565 5.244 0.000) 6.953 11.604 ( -4.580 3.534 0.000) 5.784 11.762 ( 8.565 -5.984 0.000) 10.448 12.035 ( -0.453 5.031 0.000) 5.051 12.693 ( 2.760 -12.976 0.000) 13.266 12.970 ( -2.305 -14.340 0.000) 14.525 13.824 ( 5.119 25.453 0.000) 25.962 14.456 ( -11.162 16.125 0.000) 19.611 15.035 ( 4.015 -5.729 0.000) 6.996 15.210 ( -0.051 -14.759 0.000) 14.759======================= Grid point 21 (14/140) =======================q-point: ( 0.38 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 17.987 12.133 0.000) 21.697 1.988 ( 17.868 14.818 0.000) 23.213 2.714 ( -0.250 -5.314 0.000) 5.320 2.780 ( -11.587 13.636 0.000) 17.894 2.891 ( -8.601 5.797 0.000) 10.372 2.989 ( -2.002 -11.103 0.000) 11.282 3.730 ( 25.852 11.833 0.000) 28.432 3.860 ( 11.963 -7.737 0.000) 14.247 3.910 ( -0.367 -11.389 0.000) 11.395 4.329 ( 5.576 4.273 0.000) 7.025 4.385 ( 8.929 2.792 0.000) 9.355 4.784 ( -7.107 -12.350 0.000) 14.249 4.836 ( -2.447 0.461 0.000) 2.490 5.354 ( -25.902 8.719 0.000) 27.331 5.387 ( 4.384 -9.697 0.000) 10.642 5.788 ( -15.397 0.724 0.000) 15.414 5.965 ( -1.321 -1.786 0.000) 2.221 6.095 ( -8.876 2.000 0.000) 9.099 6.183 ( 12.466 -5.810 0.000) 13.753 6.587 ( -5.493 -4.408 0.000) 7.043 6.796 ( 1.427 12.270 0.000) 12.353 6.984 ( -8.770 7.772 0.000) 11.718 7.722 ( 6.826 -16.056 0.000) 17.446 7.737 ( 6.985 -13.679 0.000) 15.359 8.649 ( 6.873 2.368 0.000) 7.269 8.771 ( 7.965 -0.285 0.000) 7.970 8.816 ( 0.329 1.199 0.000) 1.243 8.979 ( 5.174 -1.052 0.000) 5.280 9.190 ( -0.337 4.942 0.000) 4.954 9.433 ( -3.382 11.170 0.000) 11.671 9.714 ( 3.035 1.404 0.000) 3.344 9.939 ( 6.913 -16.693 0.000) 18.068 10.088 ( -13.544 6.119 0.000) 14.862 10.137 ( -2.383 -6.098 0.000) 6.547 10.210 ( -5.333 -6.747 0.000) 8.601 10.383 ( -11.349 0.705 0.000) 11.371 10.938 ( 6.722 9.813 0.000) 11.895 11.167 ( -5.289 7.242 0.000) 8.968 11.320 ( 4.107 8.139 0.000) 9.116 11.511 ( -4.803 6.541 0.000) 8.115 11.908 ( 5.901 -5.212 0.000) 7.873 12.027 ( -0.719 0.388 0.000) 0.817 12.756 ( 3.498 -12.663 0.000) 13.138 12.908 ( -3.694 -13.520 0.000) 14.016 13.943 ( 6.746 23.839 0.000) 24.775 14.255 ( -9.131 19.323 0.000) 21.372 15.112 ( 3.532 -8.576 0.000) 9.275 15.201 ( -0.915 -13.168 0.000) 13.200======================= Grid point 22 (15/140) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.223 ( -0.654 7.412 0.000) 7.441 2.223 ( 0.654 7.412 0.000) 7.441 2.599 ( -0.150 15.515 0.000) 15.516 2.599 ( 0.150 15.515 0.000) 15.516 2.911 ( -4.926 -7.792 0.000) 9.218 2.911 ( 4.926 -7.792 0.000) 9.218 3.886 ( -2.221 -13.208 0.000) 13.394 3.886 ( 2.221 -13.208 0.000) 13.394 4.316 ( -14.597 7.993 0.000) 16.642 4.316 ( 14.597 7.993 0.000) 16.642 4.560 ( -10.443 -2.146 0.000) 10.662 4.560 ( 10.443 -2.146 0.000) 10.662 4.928 ( -13.950 4.346 0.000) 14.611 4.928 ( 13.950 4.346 0.000) 14.611 5.521 ( -9.971 -4.679 0.000) 11.015 5.521 ( 9.971 -4.679 0.000) 11.015 5.978 ( -3.007 0.204 0.000) 3.014 5.978 ( 3.007 0.204 0.000) 3.014 6.427 ( -10.733 -8.377 0.000) 13.615 6.427 ( 10.733 -8.377 0.000) 13.615 6.851 ( -4.468 13.324 0.000) 14.053 6.851 ( 4.468 13.324 0.000) 14.053 7.803 ( -0.612 -15.853 0.000) 15.865 7.803 ( 0.612 -15.853 0.000) 15.865 8.766 ( -4.606 1.456 0.000) 4.831 8.766 ( 4.606 1.456 0.000) 4.831 8.917 ( -6.705 -1.305 0.000) 6.831 8.917 ( 6.705 -1.305 0.000) 6.831 9.320 ( -8.034 10.087 0.000) 12.896 9.320 ( 8.034 10.087 0.000) 12.896 9.845 ( -9.902 4.036 0.000) 10.693 9.845 ( 9.902 4.036 0.000) 10.693 10.075 ( -6.100 -12.546 0.000) 13.950 10.075 ( 6.100 -12.546 0.000) 13.950 10.194 ( -6.222 -2.700 0.000) 6.783 10.194 ( 6.222 -2.700 0.000) 6.783 11.059 ( -5.625 8.945 0.000) 10.567 11.059 ( 5.625 8.945 0.000) 10.567 11.413 ( -4.996 7.648 0.000) 9.136 11.413 ( 4.996 7.648 0.000) 9.136 11.994 ( -2.853 -3.167 0.000) 4.262 11.994 ( 2.853 -3.167 0.000) 4.262 12.830 ( -3.960 -12.870 0.000) 13.465 12.830 ( 3.960 -12.870 0.000) 13.465 14.088 ( -7.818 21.727 0.000) 23.091 14.088 ( 7.818 21.727 0.000) 23.091 15.170 ( -2.257 -11.086 0.000) 11.314 15.170 ( 2.257 -11.086 0.000) 11.314======================= Grid point 27 (16/140) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 0.000 24.565 0.000) 24.565 1.738 ( 0.000 24.622 0.000) 24.622 2.202 ( 0.000 -19.570 0.000) 19.570 2.212 ( 0.000 -19.996 0.000) 19.996 3.216 ( 0.000 32.494 0.000) 32.494 3.479 ( 0.000 17.522 0.000) 17.522 3.517 ( 0.000 -0.730 0.000) 0.730 3.549 ( 0.000 -9.357 0.000) 9.357 3.565 ( 0.000 -5.199 0.000) 5.199 4.049 ( 0.000 -23.354 0.000) 23.354 4.264 ( 0.000 10.969 0.000) 10.969 4.552 ( 0.000 -16.398 0.000) 16.398 5.047 ( 0.000 -3.108 0.000) 3.108 5.064 ( 0.000 -2.477 0.000) 2.477 5.655 ( 0.000 10.531 0.000) 10.531 5.874 ( 0.000 -9.774 0.000) 9.774 6.556 ( 0.000 2.221 0.000) 2.221 6.564 ( 0.000 1.354 0.000) 1.354 6.822 ( 0.000 2.742 0.000) 2.742 6.900 ( 0.000 -4.571 0.000) 4.571 6.930 ( 0.000 7.209 0.000) 7.209 7.107 ( 0.000 -9.894 0.000) 9.894 7.317 ( 0.000 2.521 0.000) 2.521 7.389 ( 0.000 -3.786 0.000) 3.786 8.086 ( 0.000 6.039 0.000) 6.039 8.210 ( 0.000 -5.570 0.000) 5.570 8.429 ( 0.000 1.339 0.000) 1.339 8.438 ( 0.000 0.783 0.000) 0.783 9.490 ( 0.000 -0.406 0.000) 0.406 9.533 ( 0.000 -3.970 0.000) 3.970 9.669 ( 0.000 6.548 0.000) 6.548 9.783 ( 0.000 -3.774 0.000) 3.774 10.365 ( 0.000 -0.155 0.000) 0.155 10.377 ( 0.000 -1.054 0.000) 1.054 10.785 ( 0.000 12.147 0.000) 12.147 10.840 ( 0.000 3.102 0.000) 3.102 10.841 ( 0.000 2.974 0.000) 2.974 11.076 ( 0.000 -15.505 0.000) 15.505 11.479 ( 0.000 6.391 0.000) 6.391 11.612 ( 0.000 -5.850 0.000) 5.850 11.812 ( 0.000 22.482 0.000) 22.482 12.268 ( 0.000 -20.092 0.000) 20.092 12.325 ( 0.000 14.107 0.000) 14.107 12.656 ( 0.000 -16.680 0.000) 16.680 14.282 ( 0.000 26.218 0.000) 26.218 14.798 ( 0.000 -22.292 0.000) 22.292 14.882 ( 0.000 1.953 0.000) 1.953 14.910 ( 0.000 -0.641 0.000) 0.641======================= Grid point 28 (17/140) =======================q-point: ( 0.12 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.806 ( 7.075 22.727 0.000) 23.803 1.850 ( 10.352 24.467 0.000) 26.567 2.243 ( 4.068 -18.423 0.000) 18.867 2.325 ( 10.332 -20.083 0.000) 22.585 3.309 ( 7.242 20.332 0.000) 21.583 3.433 ( -2.487 19.323 0.000) 19.482 3.440 ( -5.585 4.682 0.000) 7.287 3.561 ( 1.081 -2.270 0.000) 2.514 3.603 ( 1.586 -10.142 0.000) 10.266 4.069 ( 2.480 -21.260 0.000) 21.404 4.288 ( 2.408 10.442 0.000) 10.716 4.556 ( 0.458 -15.016 0.000) 15.023 5.015 ( -3.003 -0.333 0.000) 3.021 5.065 ( 0.163 -5.283 0.000) 5.285 5.706 ( 4.919 7.928 0.000) 9.330 5.877 ( 0.252 -7.736 0.000) 7.740 6.425 ( -12.241 3.663 0.000) 12.777 6.463 ( -10.360 0.046 0.000) 10.360 6.750 ( -11.952 1.072 0.000) 11.999 6.756 ( -8.303 -0.106 0.000) 8.304 6.945 ( 1.531 8.172 0.000) 8.314 7.146 ( 3.899 -11.191 0.000) 11.851 7.282 ( 0.914 0.681 0.000) 1.140 7.327 ( -4.528 -3.190 0.000) 5.539 8.348 ( 20.360 1.291 0.000) 20.401 8.394 ( 15.620 -2.559 0.000) 15.828 8.468 ( 3.908 1.942 0.000) 4.364 8.489 ( 4.715 0.122 0.000) 4.717 9.441 ( -4.352 1.204 0.000) 4.516 9.520 ( -1.261 -6.271 0.000) 6.397 9.656 ( -1.028 6.407 0.000) 6.488 9.759 ( -2.067 -2.970 0.000) 3.619 10.293 ( -5.938 0.456 0.000) 5.955 10.334 ( -4.606 -2.863 0.000) 5.423 10.737 ( -8.598 5.247 0.000) 10.073 10.795 ( -6.113 0.112 0.000) 6.114 10.860 ( 6.497 11.343 0.000) 13.072 11.120 ( 4.053 -13.180 0.000) 13.789 11.461 ( -1.774 6.802 0.000) 7.029 11.599 ( -1.264 -5.794 0.000) 5.930 11.848 ( 3.435 21.049 0.000) 21.328 12.290 ( 2.106 -19.788 0.000) 19.900 12.309 ( -1.476 14.782 0.000) 14.855 12.652 ( -0.616 -17.036 0.000) 17.047 14.303 ( 2.000 25.806 0.000) 25.884 14.809 ( 1.049 -21.834 0.000) 21.860 14.833 ( -4.397 4.794 0.000) 6.506 14.908 ( -0.170 -2.656 0.000) 2.662======================= Grid point 29 (18/140) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.999 ( 11.726 18.264 0.000) 21.705 2.098 ( 13.477 23.126 0.000) 26.766 2.357 ( 7.085 -15.460 0.000) 17.006 2.557 ( 11.211 -19.667 0.000) 22.638 3.262 ( -7.828 10.922 0.000) 13.438 3.312 ( -7.156 11.515 0.000) 13.557 3.482 ( -0.051 -7.998 0.000) 7.998 3.609 ( -0.975 -15.476 0.000) 15.507 3.724 ( 18.472 24.513 0.000) 30.694 4.171 ( 8.137 -13.801 0.000) 16.021 4.355 ( 4.024 8.579 0.000) 9.476 4.569 ( 0.750 -11.893 0.000) 11.917 4.946 ( -3.361 3.226 0.000) 4.659 5.077 ( 1.308 -9.369 0.000) 9.460 5.818 ( 3.042 2.557 0.000) 3.974 5.878 ( 0.355 -2.142 0.000) 2.171 6.112 ( -17.063 4.224 0.000) 17.578 6.181 ( -16.395 -1.810 0.000) 16.494 6.452 ( -14.268 6.869 0.000) 15.835 6.600 ( -8.865 -6.155 0.000) 10.792 6.993 ( 3.215 10.854 0.000) 11.320 7.242 ( -2.643 4.723 0.000) 5.412 7.252 ( 6.410 -13.820 0.000) 15.234 7.369 ( 5.176 -7.284 0.000) 8.936 8.573 ( 6.340 2.496 0.000) 6.813 8.610 ( 7.066 -0.792 0.000) 7.110 8.718 ( 14.058 0.689 0.000) 14.074 8.729 ( 16.332 -0.530 0.000) 16.341 9.344 ( -4.373 4.373 0.000) 6.185 9.506 ( 1.094 -11.084 0.000) 11.138 9.645 ( 0.370 6.445 0.000) 6.456 9.724 ( -0.758 -0.813 0.000) 1.112 10.153 ( -7.761 -0.591 0.000) 7.783 10.210 ( -7.500 -5.001 0.000) 9.015 10.514 ( -13.444 6.257 0.000) 14.829 10.609 ( -12.096 -2.407 0.000) 12.333 11.006 ( 7.616 10.292 0.000) 12.804 11.218 ( 5.516 -9.133 0.000) 10.669 11.412 ( -3.035 7.828 0.000) 8.396 11.563 ( -2.336 -5.738 0.000) 6.196 11.936 ( 5.105 18.046 0.000) 18.754 12.269 ( -2.518 15.414 0.000) 15.618 12.346 ( 3.360 -19.057 0.000) 19.351 12.626 ( -2.115 -17.484 0.000) 17.611 14.359 ( 3.534 24.543 0.000) 24.796 14.729 ( -5.578 10.234 0.000) 11.656 14.836 ( 1.633 -20.481 0.000) 20.546 14.905 ( -0.101 -6.892 0.000) 6.892======================= Grid point 30 (19/140) =======================q-point: ( 0.38 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.245 ( 12.187 13.077 0.000) 17.875 2.343 ( 9.912 17.945 0.000) 20.500 2.511 ( 7.949 -11.814 0.000) 14.239 2.705 ( 2.464 -15.720 0.000) 15.912 3.100 ( -7.120 16.569 0.000) 18.034 3.162 ( -7.605 17.496 0.000) 19.078 3.467 ( 0.056 -17.774 0.000) 17.774 3.568 ( -3.044 -19.520 0.000) 19.756 4.151 ( 21.564 15.516 0.000) 26.565 4.371 ( 10.380 -5.087 0.000) 11.560 4.434 ( 3.456 5.747 0.000) 6.706 4.575 ( -0.628 -7.857 0.000) 7.882 4.916 ( 1.928 7.526 0.000) 7.769 5.140 ( 6.117 -12.591 0.000) 13.998 5.556 ( -22.912 9.763 0.000) 24.905 5.737 ( -19.808 -6.378 0.000) 20.810 5.975 ( 2.683 3.286 0.000) 4.242 6.069 ( 6.316 -5.023 0.000) 8.069 6.211 ( -9.901 8.490 0.000) 13.043 6.417 ( -9.313 -10.087 0.000) 13.729 7.068 ( 4.146 13.806 0.000) 14.415 7.200 ( -2.088 11.582 0.000) 11.768 7.382 ( 6.008 -15.848 0.000) 16.949 7.456 ( 2.942 -12.767 0.000) 13.101 8.703 ( 6.318 2.667 0.000) 6.858 8.751 ( 6.828 -1.736 0.000) 7.045 8.864 ( 0.934 3.066 0.000) 3.205 8.932 ( 2.074 -3.078 0.000) 3.712 9.349 ( 6.957 10.043 0.000) 12.217 9.607 ( 8.823 -14.265 0.000) 16.773 9.659 ( -0.642 9.482 0.000) 9.504 9.760 ( 4.896 0.997 0.000) 4.996 10.009 ( -6.232 -4.046 0.000) 7.430 10.054 ( -6.623 -6.936 0.000) 9.591 10.226 ( -14.830 6.335 0.000) 16.127 10.341 ( -14.076 -4.199 0.000) 14.689 11.147 ( 6.387 9.685 0.000) 11.601 11.328 ( 5.383 -6.465 0.000) 8.413 11.344 ( -3.853 8.823 0.000) 9.627 11.507 ( -3.417 -5.656 0.000) 6.608 12.040 ( 5.076 15.612 0.000) 16.416 12.210 ( -3.421 15.090 0.000) 15.473 12.418 ( 3.851 -18.292 0.000) 18.693 12.570 ( -3.396 -17.644 0.000) 17.968 14.438 ( 4.328 22.398 0.000) 22.813 14.623 ( -5.069 15.334 0.000) 16.150 14.869 ( 1.500 -18.284 0.000) 18.345 14.903 ( -0.242 -11.423 0.000) 11.426======================= Grid point 31 (20/140) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.422 ( -3.402 10.908 0.000) 11.426 2.422 ( 3.402 10.908 0.000) 11.426 2.654 ( -6.087 -10.156 0.000) 11.841 2.654 ( 6.087 -10.156 0.000) 11.841 3.046 ( -2.525 20.339 0.000) 20.495 3.046 ( 2.525 20.339 0.000) 20.495 3.502 ( -3.110 -21.446 0.000) 21.671 3.502 ( 3.110 -21.446 0.000) 21.671 4.448 ( -5.116 4.492 0.000) 6.808 4.448 ( 5.116 4.492 0.000) 6.808 4.518 ( -5.092 -2.376 0.000) 5.619 4.518 ( 5.092 -2.376 0.000) 5.619 5.113 ( -18.584 11.779 0.000) 22.003 5.113 ( 18.584 11.779 0.000) 22.003 5.360 ( -16.181 -10.421 0.000) 19.246 5.360 ( 16.181 -10.421 0.000) 19.246 6.056 ( -5.799 6.770 0.000) 8.914 6.056 ( 5.799 6.770 0.000) 8.914 6.234 ( -9.066 -9.389 0.000) 13.052 6.234 ( 9.066 -9.389 0.000) 13.052 7.146 ( -3.438 14.639 0.000) 15.037 7.146 ( 3.438 14.639 0.000) 15.037 7.467 ( -2.067 -15.758 0.000) 15.893 7.467 ( 2.067 -15.758 0.000) 15.893 8.814 ( -4.676 2.855 0.000) 5.479 8.814 ( 4.676 2.855 0.000) 5.479 8.874 ( -5.438 -2.615 0.000) 6.034 8.874 ( 5.438 -2.615 0.000) 6.034 9.548 ( -9.967 11.512 0.000) 15.227 9.548 ( 9.967 11.512 0.000) 15.227 9.802 ( -8.520 -12.298 0.000) 14.961 9.802 ( 8.520 -12.298 0.000) 14.961 9.962 ( -9.837 5.825 0.000) 11.433 9.962 ( 9.837 5.825 0.000) 11.433 10.093 ( -9.377 -6.098 0.000) 11.186 10.093 ( 9.377 -6.098 0.000) 11.186 11.258 ( -4.866 9.367 0.000) 10.556 11.258 ( 4.866 9.367 0.000) 10.556 11.427 ( -4.536 -5.626 0.000) 7.227 11.427 ( 4.536 -5.626 0.000) 7.227 12.133 ( -4.307 14.754 0.000) 15.370 12.133 ( 4.307 14.754 0.000) 15.370 12.496 ( -3.907 -17.816 0.000) 18.240 12.496 ( 3.907 -17.816 0.000) 18.240 14.527 ( -4.636 19.359 0.000) 19.906 14.527 ( 4.636 19.359 0.000) 19.906 14.892 ( -0.848 -15.273 0.000) 15.297 14.892 ( 0.848 -15.273 0.000) 15.297======================= Grid point 63 (21/140) =======================q-point: ( 0.00 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.547 ( 0.000 0.000 28.131) 28.131 0.574 ( 0.000 0.000 29.424) 29.424 0.853 ( 0.000 0.000 43.553) 43.553 2.777 ( 0.000 0.000 2.349) 2.349 2.895 ( 0.000 0.000 5.725) 5.725 3.338 ( 0.000 0.000 7.077) 7.077 3.791 ( 0.000 0.000 -11.117) 11.117 3.830 ( 0.000 0.000 3.274) 3.274 3.931 ( 0.000 0.000 5.015) 5.015 4.268 ( 0.000 0.000 10.100) 10.100 5.110 ( 0.000 0.000 -2.622) 2.622 5.232 ( 0.000 0.000 -4.951) 4.951 5.433 ( 0.000 0.000 12.669) 12.669 5.529 ( 0.000 0.000 -11.370) 11.370 5.853 ( 0.000 0.000 -7.493) 7.493 5.880 ( 0.000 0.000 3.874) 3.874 6.205 ( 0.000 0.000 3.859) 3.859 6.208 ( 0.000 0.000 -3.329) 3.329 6.694 ( 0.000 0.000 0.355) 0.355 6.755 ( 0.000 0.000 -1.928) 1.928 6.810 ( 0.000 0.000 -0.529) 0.529 7.175 ( 0.000 0.000 -2.262) 2.262 7.350 ( 0.000 0.000 1.824) 1.824 7.423 ( 0.000 0.000 0.220) 0.220 8.085 ( 0.000 0.000 3.019) 3.019 8.305 ( 0.000 0.000 -4.198) 4.198 8.474 ( 0.000 0.000 3.145) 3.145 8.821 ( 0.000 0.000 -4.044) 4.044 9.098 ( 0.000 0.000 -13.401) 13.401 9.383 ( 0.000 0.000 -4.120) 4.120 9.852 ( 0.000 0.000 2.641) 2.641 10.224 ( 0.000 0.000 -4.346) 4.346 10.243 ( 0.000 0.000 -3.659) 3.659 10.375 ( 0.000 0.000 -5.640) 5.640 10.398 ( 0.000 0.000 -1.341) 1.341 10.526 ( 0.000 0.000 5.986) 5.986 10.898 ( 0.000 0.000 -1.361) 1.361 11.122 ( 0.000 0.000 6.400) 6.400 11.234 ( 0.000 0.000 -3.705) 3.705 11.788 ( 0.000 0.000 -0.264) 0.264 11.935 ( 0.000 0.000 -13.822) 13.822 11.965 ( 0.000 0.000 2.863) 2.863 12.579 ( 0.000 0.000 -1.460) 1.460 12.585 ( 0.000 0.000 0.780) 0.780 13.413 ( 0.000 0.000 5.710) 5.710 14.319 ( 0.000 0.000 7.794) 7.794 14.810 ( 0.000 0.000 3.464) 3.464 15.510 ( 0.000 0.000 -4.625) 4.625======================= Grid point 64 (22/140) =======================q-point: ( 0.12 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( 18.658 0.000 10.061) 21.198 0.793 ( 20.741 0.000 19.092) 28.190 1.490 ( 41.634 0.000 31.614) 52.276 2.800 ( 2.237 0.000 -0.038) 2.237 2.932 ( 2.166 0.000 6.262) 6.626 3.346 ( 1.676 0.000 6.962) 7.161 3.526 ( -17.675 0.000 -3.314) 17.983 3.916 ( -0.761 0.000 4.866) 4.925 3.955 ( 4.447 0.000 -2.166) 4.946 4.228 ( -3.307 0.000 8.338) 8.970 4.576 ( -27.179 0.000 33.522) 43.156 5.231 ( -5.567 0.000 13.516) 14.618 5.306 ( 5.093 0.000 -9.517) 10.794 5.608 ( 8.243 0.000 -5.600) 9.965 5.853 ( -1.000 0.000 -6.497) 6.574 5.858 ( -1.702 0.000 2.381) 2.927 6.079 ( -13.540 0.000 -0.833) 13.566 6.216 ( 1.155 0.000 4.051) 4.213 6.246 ( -12.125 0.000 1.192) 12.184 6.640 ( -5.014 0.000 0.438) 5.033 6.857 ( -13.805 0.000 -0.079) 13.805 7.352 ( 18.886 0.000 -13.067) 22.966 7.353 ( -6.775 0.000 0.121) 6.776 7.860 ( 15.943 0.000 -5.551) 16.881 8.116 ( 3.879 0.000 -1.686) 4.229 8.393 ( 7.236 0.000 -1.698) 7.432 8.562 ( 8.568 0.000 4.212) 9.547 9.018 ( 8.239 0.000 -17.558) 19.395 9.083 ( -1.495 0.000 -12.558) 12.646 9.332 ( -5.268 0.000 -3.374) 6.256 9.829 ( -1.069 0.000 1.696) 2.005 10.200 ( -4.132 0.000 -3.491) 5.410 10.213 ( -1.174 0.000 -4.529) 4.678 10.342 ( -3.336 0.000 -4.907) 5.934 10.429 ( 3.342 0.000 -1.632) 3.719 10.509 ( -1.486 0.000 5.673) 5.864 10.896 ( 0.165 0.000 -1.739) 1.747 11.034 ( -8.166 0.000 6.413) 10.383 11.201 ( -3.872 0.000 -2.179) 4.443 11.407 ( -11.055 0.000 10.809) 15.461 12.026 ( 5.503 0.000 2.649) 6.107 12.169 ( 9.280 0.000 -10.727) 14.184 12.574 ( -1.114 0.000 0.809) 1.377 12.771 ( 8.025 0.000 -16.208) 18.086 13.505 ( 5.038 0.000 7.249) 8.828 14.140 ( -10.137 0.000 16.568) 19.423 14.985 ( 9.508 0.000 -5.845) 11.161 15.506 ( -0.482 0.000 -4.578) 4.603======================= Grid point 65 (23/140) =======================q-point: ( 0.25 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.070 ( 29.124 0.000 -3.712) 29.360 1.258 ( 24.773 0.000 11.418) 27.278 2.304 ( 35.490 0.000 20.789) 41.130 2.859 ( 4.600 0.000 0.476) 4.625 2.943 ( 0.916 0.000 3.509) 3.627 3.132 ( -21.422 0.000 -0.266) 21.423 3.392 ( 0.594 0.000 6.240) 6.268 3.969 ( 8.429 0.000 3.559) 9.150 4.013 ( 1.812 0.000 -1.100) 2.120 4.161 ( -3.116 0.000 5.140) 6.011 4.355 ( -0.036 0.000 20.869) 20.869 5.115 ( -6.374 0.000 9.943) 11.811 5.381 ( 2.804 0.000 -11.337) 11.679 5.614 ( -23.196 0.000 1.682) 23.257 5.716 ( -2.313 0.000 3.928) 4.558 5.891 ( -9.741 0.000 -4.819) 10.868 5.937 ( 12.949 0.000 -5.638) 14.124 6.033 ( -5.300 0.000 -1.157) 5.425 6.255 ( 3.118 0.000 4.728) 5.663 6.521 ( -6.382 0.000 0.581) 6.408 6.600 ( -12.168 0.000 0.231) 12.170 7.175 ( -10.650 0.000 -0.773) 10.678 7.712 ( 17.538 0.000 -10.921) 20.660 8.074 ( 8.445 0.000 0.322) 8.451 8.239 ( 7.888 0.000 -6.633) 10.307 8.549 ( 7.659 0.000 -3.319) 8.347 8.777 ( 11.842 0.000 7.195) 13.857 9.047 ( -1.635 0.000 -8.708) 8.860 9.053 ( -2.742 0.000 -13.686) 13.958 9.187 ( -8.708 0.000 -3.282) 9.306 9.808 ( -1.312 0.000 -0.125) 1.318 10.089 ( -6.702 0.000 -2.450) 7.136 10.176 ( -2.589 0.000 -5.141) 5.756 10.248 ( -5.792 0.000 -2.905) 6.480 10.478 ( -1.389 0.000 4.965) 5.155 10.529 ( 6.258 0.000 -2.225) 6.642 10.836 ( -10.811 0.000 6.079) 12.403 10.909 ( 0.737 0.000 -3.278) 3.360 11.106 ( -4.095 0.000 1.670) 4.422 11.302 ( -2.866 0.000 5.342) 6.062 12.155 ( 6.893 0.000 2.175) 7.228 12.369 ( 10.898 0.000 -9.231) 14.282 12.541 ( -2.294 0.000 0.899) 2.464 12.861 ( 2.063 0.000 -16.056) 16.188 13.564 ( 1.658 0.000 12.873) 12.980 13.966 ( -8.007 0.000 13.900) 16.041 15.146 ( 7.226 0.000 -4.686) 8.612 15.489 ( -1.321 0.000 -4.433) 4.626======================= Grid point 66 (24/140) =======================q-point: ( 0.38 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 27.044 0.000 -3.105) 27.221 1.752 ( 24.641 0.000 7.386) 25.724 2.484 ( -12.005 0.000 3.979) 12.647 2.692 ( -22.731 0.000 2.370) 22.855 3.007 ( 6.099 0.000 -0.094) 6.099 3.235 ( 8.675 0.000 4.180) 9.629 3.427 ( 22.251 0.000 11.456) 25.027 4.040 ( 1.248 0.000 -0.168) 1.259 4.108 ( -2.314 0.000 2.487) 3.397 4.217 ( 11.192 0.000 2.445) 11.456 4.442 ( 7.223 0.000 7.842) 10.662 4.993 ( -7.451 0.000 7.728) 10.735 5.103 ( -22.466 0.000 8.246) 23.931 5.438 ( 3.225 0.000 -7.514) 8.177 5.548 ( -20.820 0.000 2.313) 20.948 5.623 ( -5.590 0.000 1.237) 5.726 6.067 ( 4.975 0.000 -3.258) 5.947 6.183 ( 8.439 0.000 -4.456) 9.543 6.376 ( -10.293 0.000 -0.693) 10.317 6.377 ( 6.486 0.000 1.749) 6.717 6.409 ( -0.502 0.000 1.929) 1.994 6.940 ( -12.910 0.000 -1.450) 12.991 8.034 ( 14.199 0.000 -7.434) 16.027 8.218 ( 5.353 0.000 0.693) 5.398 8.409 ( 8.840 0.000 -10.440) 13.680 8.644 ( 0.482 0.000 -10.479) 10.490 8.966 ( -4.907 0.000 -11.555) 12.554 8.985 ( 8.118 0.000 8.823) 11.989 9.014 ( -7.859 0.000 -5.697) 9.707 9.050 ( 2.382 0.000 1.501) 2.815 9.792 ( 0.357 0.000 0.537) 0.645 9.950 ( -6.794 0.000 -0.728) 6.833 10.110 ( -3.660 0.000 -6.123) 7.133 10.135 ( -4.808 0.000 -0.304) 4.818 10.466 ( 0.518 0.000 4.270) 4.301 10.637 ( -8.624 0.000 4.943) 9.940 10.659 ( 6.515 0.000 -2.605) 7.016 10.883 ( -3.840 0.000 -4.180) 5.676 11.088 ( 2.412 0.000 2.897) 3.770 11.242 ( -3.483 0.000 3.295) 4.794 12.287 ( 6.220 0.000 1.694) 6.447 12.483 ( -3.577 0.000 1.061) 3.731 12.586 ( 10.465 0.000 -9.650) 14.235 12.860 ( -2.323 0.000 -14.139) 14.328 13.602 ( 2.755 0.000 14.361) 14.622 13.813 ( -7.288 0.000 11.941) 13.989 15.278 ( 6.009 0.000 -3.943) 7.188 15.450 ( -2.649 0.000 -4.208) 4.972======================= Grid point 67 (25/140) =======================q-point: (-0.50 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.127 ( -22.186 0.000 -0.272) 22.188 2.127 ( 22.186 0.000 -0.272) 22.188 2.231 ( -23.660 0.000 4.722) 24.126 2.231 ( 23.660 0.000 4.722) 24.126 3.143 ( -7.278 0.000 1.435) 7.418 3.143 ( 7.278 0.000 1.435) 7.418 4.069 ( -1.657 0.000 0.827) 1.852 4.069 ( 1.657 0.000 0.827) 1.852 4.070 ( -27.431 0.000 6.866) 28.277 4.070 ( 27.431 0.000 6.866) 28.277 4.651 ( -13.736 0.000 2.602) 13.980 4.651 ( 13.736 0.000 2.602) 13.980 5.154 ( -16.119 0.000 9.854) 18.892 5.154 ( 16.119 0.000 9.854) 18.892 5.517 ( -4.783 0.000 -2.817) 5.551 5.517 ( 4.783 0.000 -2.817) 5.551 6.195 ( -7.839 0.000 -2.126) 8.123 6.195 ( 7.839 0.000 -2.126) 8.123 6.298 ( -4.754 0.000 -0.622) 4.795 6.298 ( 4.754 0.000 -0.622) 4.795 6.666 ( -14.602 0.000 -0.755) 14.622 6.666 ( 14.602 0.000 -0.755) 14.622 8.235 ( -4.829 0.000 -2.350) 5.370 8.235 ( 4.829 0.000 -2.350) 5.370 8.570 ( -6.807 0.000 -12.969) 14.647 8.570 ( 6.807 0.000 -12.969) 14.647 8.915 ( -1.171 0.000 -9.459) 9.531 8.915 ( 1.171 0.000 -9.459) 9.531 9.081 ( -1.314 0.000 7.962) 8.070 9.081 ( 1.314 0.000 7.962) 8.070 9.837 ( -4.207 0.000 0.592) 4.248 9.837 ( 4.207 0.000 0.592) 4.248 10.074 ( -0.841 0.000 -2.794) 2.918 10.074 ( 0.841 0.000 -2.794) 2.918 10.510 ( -4.114 0.000 4.013) 5.747 10.510 ( 4.114 0.000 4.013) 5.747 10.782 ( -5.835 0.000 -3.072) 6.594 10.782 ( 5.835 0.000 -3.072) 6.594 11.163 ( -4.300 0.000 2.489) 4.968 11.163 ( 4.300 0.000 2.489) 4.968 12.398 ( -4.941 0.000 1.318) 5.114 12.398 ( 4.941 0.000 1.318) 5.114 12.765 ( -7.162 0.000 -11.402) 13.465 12.765 ( 7.162 0.000 -11.402) 13.465 13.684 ( -5.485 0.000 12.717) 13.849 13.684 ( 5.485 0.000 12.717) 13.849 15.381 ( -4.356 0.000 -3.962) 5.888 15.381 ( 4.356 0.000 -3.962) 5.888======================= Grid point 72 (26/140) =======================q-point: ( 0.00 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 0.000 19.924 19.582) 27.936 0.851 ( 0.000 20.458 20.998) 29.316 1.414 ( 0.000 43.771 23.218) 49.548 2.737 ( 0.000 -4.283 1.372) 4.497 2.825 ( 0.000 -6.615 5.999) 8.930 3.321 ( 0.000 -0.584 7.149) 7.173 3.761 ( 0.000 -4.095 -8.919) 9.814 3.766 ( 0.000 -5.912 4.050) 7.166 3.886 ( 0.000 -3.145 3.799) 4.931 4.282 ( 0.000 1.087 8.232) 8.304 4.478 ( 0.000 -25.201 29.558) 38.843 5.258 ( 0.000 1.478 -1.266) 1.946 5.319 ( 0.000 -15.658 -6.608) 16.995 5.332 ( 0.000 0.739 14.463) 14.482 5.605 ( 0.000 -13.595 0.702) 13.613 6.067 ( 0.000 2.412 -4.910) 5.471 6.274 ( 0.000 7.812 -3.973) 8.764 6.274 ( 0.000 5.137 -6.871) 8.579 6.699 ( 0.000 0.894 -1.645) 1.872 6.774 ( 0.000 1.489 -0.039) 1.489 7.078 ( 0.000 -2.036 -4.824) 5.236 7.315 ( 0.000 11.382 -10.778) 15.676 7.331 ( 0.000 -1.463 1.758) 2.287 7.467 ( 0.000 4.779 -2.963) 5.622 7.905 ( 0.000 -11.241 3.251) 11.702 8.309 ( 0.000 0.335 -3.524) 3.540 8.448 ( 0.000 -2.313 2.692) 3.549 8.507 ( 0.000 -8.654 8.846) 12.375 9.345 ( 0.000 7.477 -19.174) 20.580 9.392 ( 0.000 1.148 -4.881) 5.014 9.796 ( 0.000 -4.261 2.660) 5.024 10.132 ( 0.000 -14.002 5.338) 14.985 10.315 ( 0.000 7.331 -4.622) 8.666 10.325 ( 0.000 3.106 -5.371) 6.204 10.387 ( 0.000 -0.697 -2.067) 2.181 10.622 ( 0.000 7.776 6.482) 10.123 10.747 ( 0.000 -3.882 21.137) 21.490 10.996 ( 0.000 9.313 -2.701) 9.697 11.272 ( 0.000 1.784 -2.129) 2.778 11.719 ( 0.000 -17.748 -13.674) 22.405 11.773 ( 0.000 -1.406 -0.143) 1.413 12.008 ( 0.000 4.259 4.023) 5.859 12.726 ( 0.000 5.908 -4.434) 7.387 12.948 ( 0.000 7.318 -12.962) 14.885 13.490 ( 0.000 6.156 9.790) 11.565 14.624 ( 0.000 15.331 -11.728) 19.302 14.823 ( 0.000 1.164 3.062) 3.276 15.422 ( 0.000 -8.293 -4.482) 9.426======================= Grid point 73 (27/140) =======================q-point: ( 0.12 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.790 ( 10.112 20.521 8.582) 24.434 1.082 ( 15.590 20.109 16.596) 30.379 1.832 ( 33.699 30.428 21.984) 50.446 2.757 ( 2.173 -4.812 -0.696) 5.325 2.885 ( 4.391 -4.362 6.351) 8.868 3.306 ( -0.979 -2.403 6.524) 7.021 3.486 ( -16.127 -3.547 -1.696) 16.600 3.864 ( -0.467 -4.753 4.182) 6.348 3.943 ( 6.076 -1.792 -1.082) 6.427 4.247 ( -3.039 1.018 7.621) 8.267 4.381 ( -5.649 -9.680 26.184) 28.482 5.193 ( -3.059 -10.031 -6.887) 12.547 5.220 ( -5.822 -1.243 13.319) 14.589 5.533 ( 14.134 -3.373 -3.532) 14.954 5.594 ( -1.098 -12.764 0.920) 12.844 6.047 ( -3.705 -0.203 -3.793) 5.307 6.109 ( -11.065 7.391 -3.446) 13.746 6.248 ( -6.085 5.968 -4.746) 9.756 6.509 ( -15.130 13.014 4.036) 20.361 6.671 ( -3.851 3.330 -0.244) 5.097 6.829 ( -12.875 -2.291 0.143) 13.078 7.314 ( 9.976 -1.649 -4.700) 11.150 7.386 ( -2.597 0.863 -4.494) 5.262 7.707 ( 8.205 -12.438 -1.676) 14.995 8.153 ( 13.511 2.152 -7.887) 15.792 8.396 ( 7.208 0.396 -2.082) 7.513 8.527 ( 8.743 -3.176 2.184) 9.555 8.669 ( 12.662 -13.125 0.075) 18.238 9.291 ( -4.086 6.953 -13.262) 15.522 9.363 ( -4.121 1.664 -7.258) 8.510 9.769 ( -1.904 -4.167 1.116) 4.715 10.142 ( 0.216 -12.592 -0.753) 12.616 10.287 ( -2.833 2.866 -5.580) 6.883 10.327 ( -1.116 5.933 -2.431) 6.508 10.433 ( 5.036 1.614 -3.396) 6.285 10.541 ( -6.285 3.734 9.473) 11.966 10.751 ( -1.382 -4.070 15.846) 16.418 10.996 ( 0.313 9.036 -2.455) 9.368 11.259 ( -1.890 2.160 -1.752) 3.363 11.557 ( -9.390 0.505 -7.193) 11.839 11.903 ( 7.523 -13.075 -2.075) 15.227 12.014 ( 1.561 1.150 4.137) 4.569 12.746 ( 1.635 5.163 -3.932) 6.693 12.961 ( 1.065 7.647 -12.787) 14.937 13.527 ( 2.776 3.968 11.104) 12.114 14.388 ( -14.466 16.855 2.981) 22.411 14.964 ( 7.705 -1.572 -3.878) 8.768 15.420 ( -0.317 -8.140 -4.440) 9.278======================= Grid point 74 (28/140) =======================q-point: ( 0.25 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.174 ( 24.852 11.345 -1.586) 27.365 1.450 ( 20.602 14.925 11.509) 27.922 2.524 ( 28.563 19.451 15.614) 37.921 2.824 ( 4.946 -5.177 -1.156) 7.253 2.936 ( 3.488 0.764 4.779) 5.966 3.120 ( -17.901 -0.210 0.336) 17.906 3.324 ( -0.106 -5.399 5.962) 8.044 3.899 ( 5.391 -5.296 2.144) 7.855 4.046 ( 4.754 -0.004 2.367) 5.311 4.198 ( -1.129 3.208 3.627) 4.971 4.338 ( 1.340 -1.013 17.748) 17.827 5.080 ( -6.426 -3.038 9.606) 11.950 5.177 ( -1.423 -14.139 -5.462) 15.224 5.559 ( -2.700 -8.187 1.081) 8.688 5.707 ( -18.687 3.939 -0.340) 19.101 5.854 ( 11.069 -4.102 -3.402) 12.285 6.040 ( -8.864 1.831 -1.011) 9.107 6.052 ( -4.075 5.469 -5.161) 8.553 6.291 ( -7.590 2.090 3.303) 8.537 6.588 ( -3.973 6.729 -0.809) 7.856 6.648 ( -6.337 3.533 1.672) 7.445 7.167 ( -11.628 -0.620 -0.922) 11.681 7.653 ( 15.979 -5.432 -8.506) 18.899 7.860 ( 7.896 -14.539 -1.936) 16.658 8.350 ( 8.513 5.469 -5.744) 11.635 8.537 ( 6.445 -0.837 -4.166) 7.719 8.744 ( 10.872 -2.557 2.742) 11.501 8.863 ( 6.859 -7.530 -4.174) 11.008 9.212 ( -3.524 8.235 -8.825) 12.574 9.231 ( -8.512 2.164 -5.802) 10.526 9.736 ( -1.232 -4.360 -0.345) 4.544 10.109 ( -4.358 -3.605 -5.202) 7.684 10.220 ( -3.229 -1.054 -5.543) 6.501 10.283 ( -2.887 4.945 -1.757) 5.990 10.406 ( -5.925 -2.521 8.872) 10.963 10.541 ( 2.410 2.054 -1.311) 3.427 10.691 ( -2.103 -3.681 9.180) 10.112 11.013 ( 0.956 8.382 -3.377) 9.087 11.186 ( -4.540 3.467 -0.762) 5.763 11.414 ( -5.007 6.820 -0.893) 8.507 12.049 ( 6.808 -15.418 -1.095) 16.890 12.074 ( 3.939 -3.913 2.476) 6.080 12.785 ( 2.450 5.815 -3.303) 7.122 12.980 ( 0.608 6.726 -11.717) 13.524 13.581 ( 2.823 4.321 12.638) 13.651 14.135 ( -11.098 14.428 7.222) 19.583 15.104 ( 6.552 -3.623 -3.670) 8.338 15.407 ( -0.997 -7.669 -4.308) 8.853======================= Grid point 75 (29/140) =======================q-point: ( 0.38 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( 25.595 6.219 -2.432) 26.452 1.869 ( 20.913 9.618 7.736) 24.284 2.571 ( -13.173 8.003 3.060) 15.714 2.715 ( -19.630 2.426 2.425) 19.927 2.945 ( 6.045 -5.479 -0.285) 8.164 3.200 ( -2.105 -4.698 3.340) 6.136 3.514 ( 32.054 9.676 10.445) 35.074 4.008 ( 3.337 -3.757 -0.698) 5.073 4.108 ( 0.018 -1.435 4.214) 4.451 4.286 ( 10.060 5.475 2.340) 11.690 4.412 ( 5.587 -1.940 8.139) 10.061 4.960 ( -6.558 -2.719 8.393) 10.993 5.048 ( -14.633 -8.970 1.930) 17.272 5.279 ( -15.326 -2.079 1.329) 15.523 5.535 ( -1.059 -3.185 0.580) 3.407 5.746 ( -13.181 5.309 1.116) 14.254 5.988 ( 1.537 -4.065 -3.623) 5.657 6.121 ( -3.100 -4.303 -1.194) 5.437 6.264 ( 11.369 -4.994 -2.674) 12.702 6.531 ( -2.387 9.959 -1.357) 10.331 6.564 ( -1.237 8.363 2.691) 8.872 6.917 ( -13.252 -1.253 -1.277) 13.372 7.937 ( 11.628 -8.899 -6.129) 15.873 8.009 ( 6.372 -14.428 -3.128) 16.080 8.514 ( 7.663 5.219 -6.528) 11.339 8.623 ( 1.865 -0.973 -10.331) 10.543 8.863 ( 1.538 -4.010 -3.791) 5.728 9.009 ( 2.489 -1.853 -0.060) 3.103 9.067 ( -2.686 4.485 -1.754) 5.514 9.166 ( -0.773 9.334 -2.854) 9.791 9.737 ( 1.878 -2.878 0.450) 3.466 9.974 ( -8.185 2.056 -1.778) 8.625 10.164 ( -2.328 0.727 -4.407) 5.037 10.217 ( -3.660 5.806 -1.670) 7.064 10.331 ( -1.225 -10.131 5.150) 11.431 10.459 ( -6.976 -7.571 4.272) 11.146 10.758 ( 5.980 4.522 -0.494) 7.514 10.983 ( -4.435 6.411 -5.011) 9.267 11.159 ( 2.563 6.266 2.284) 7.145 11.328 ( -4.210 7.222 1.300) 8.461 12.147 ( 3.199 -8.942 0.856) 9.535 12.157 ( 3.508 -14.404 -0.469) 14.833 12.846 ( 3.580 6.080 -3.592) 7.917 12.973 ( -1.570 5.220 -8.786) 10.339 13.653 ( 4.752 7.260 11.367) 14.300 13.936 ( -9.114 11.944 7.630) 16.850 15.224 ( 5.458 -4.890 -3.523) 8.131 15.376 ( -2.207 -6.926 -4.071) 8.332======================= Grid point 76 (30/140) =======================q-point: (-0.50 0.14 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.131 ( -12.466 2.008 0.679) 12.645 2.131 ( 12.466 2.008 0.679) 12.645 2.354 ( -10.503 10.185 3.879) 15.136 2.354 ( 10.503 10.185 3.879) 15.136 3.081 ( -7.169 -5.564 1.558) 9.208 3.081 ( 7.169 -5.564 1.558) 9.208 4.024 ( -5.075 -1.431 1.485) 5.478 4.024 ( 5.075 -1.431 1.485) 5.478 4.207 ( -17.897 8.036 5.813) 20.461 4.207 ( 17.897 8.036 5.813) 20.461 4.630 ( -15.050 -2.130 2.305) 15.374 4.630 ( 15.050 -2.130 2.305) 15.374 5.038 ( -9.725 -7.024 7.595) 14.198 5.038 ( 9.725 -7.024 7.595) 14.198 5.567 ( -4.788 2.244 0.596) 5.321 5.567 ( 4.788 2.244 0.596) 5.321 6.036 ( -3.642 -7.198 -1.510) 8.207 6.036 ( 3.642 -7.198 -1.510) 8.207 6.463 ( -5.282 5.044 -3.678) 8.177 6.463 ( 5.282 5.044 -3.678) 8.177 6.660 ( -11.187 2.578 1.144) 11.537 6.660 ( 11.187 2.578 1.144) 11.537 8.071 ( -1.286 -12.976 -3.983) 13.634 8.071 ( 1.286 -12.976 -3.983) 13.634 8.621 ( -2.364 3.077 -10.136) 10.854 8.621 ( 2.364 3.077 -10.136) 10.854 8.898 ( -4.291 -1.288 -6.631) 8.003 8.898 ( 4.291 -1.288 -6.631) 8.003 9.151 ( -2.429 6.071 3.541) 7.435 9.151 ( 2.429 6.071 3.541) 7.435 9.821 ( -6.470 0.032 0.638) 6.501 9.821 ( 6.470 0.032 0.638) 6.501 10.155 ( -1.831 4.833 -2.107) 5.581 10.155 ( 1.831 4.833 -2.107) 5.581 10.352 ( -3.254 -11.117 3.070) 11.984 10.352 ( 3.254 -11.117 3.070) 11.984 10.876 ( -5.819 5.859 -2.690) 8.685 10.876 ( 5.819 5.859 -2.690) 8.685 11.239 ( -4.645 6.957 1.695) 8.535 11.239 ( 4.645 6.957 1.695) 8.535 12.186 ( -0.439 -12.207 0.026) 12.215 12.186 ( 0.439 -12.207 0.026) 12.215 12.920 ( -3.538 5.152 -5.433) 8.281 12.920 ( 3.538 5.152 -5.433) 8.281 13.773 ( -7.250 9.954 8.877) 15.181 13.773 ( 7.250 9.954 8.877) 15.181 15.317 ( -3.841 -5.981 -3.757) 8.040 15.317 ( 3.841 -5.981 -3.757) 8.040======================= Grid point 81 (31/140) =======================q-point: ( 0.00 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( 0.000 23.815 10.663) 26.093 1.329 ( 0.000 24.042 13.772) 27.707 2.379 ( 0.000 41.409 9.824) 42.559 2.583 ( 0.000 -7.052 2.043) 7.342 2.619 ( 0.000 -12.853 6.840) 14.560 3.349 ( 0.000 3.309 6.121) 6.958 3.614 ( 0.000 -8.478 -5.773) 10.257 3.631 ( 0.000 -5.164 4.633) 6.938 3.812 ( 0.000 -4.540 4.645) 6.495 4.248 ( 0.000 -1.649 14.741) 14.833 4.273 ( 0.000 -3.941 0.858) 4.033 4.995 ( 0.000 -14.852 4.799) 15.608 5.248 ( 0.000 -2.034 10.440) 10.636 5.272 ( 0.000 -15.517 0.264) 15.519 5.435 ( 0.000 8.078 1.026) 8.143 6.013 ( 0.000 -5.769 -3.676) 6.841 6.394 ( 0.000 5.539 -7.528) 9.346 6.438 ( 0.000 5.554 -5.506) 7.821 6.750 ( 0.000 3.841 -2.794) 4.749 6.811 ( 0.000 2.383 0.885) 2.542 6.991 ( 0.000 -4.788 -1.714) 5.086 7.292 ( 0.000 -8.762 -4.361) 9.787 7.306 ( 0.000 -0.448 1.405) 1.475 7.489 ( 0.000 -3.563 2.070) 4.120 7.890 ( 0.000 7.622 -4.618) 8.912 8.307 ( 0.000 -1.531 -0.896) 1.774 8.393 ( 0.000 -1.841 -0.148) 1.847 8.420 ( 0.000 -1.615 0.657) 1.743 9.428 ( 0.000 1.733 -10.364) 10.508 9.437 ( 0.000 2.775 -6.750) 7.298 9.712 ( 0.000 -2.922 3.843) 4.828 9.918 ( 0.000 -6.733 4.738) 8.233 10.357 ( 0.000 -0.178 -2.346) 2.353 10.369 ( 0.000 -0.898 -2.825) 2.965 10.496 ( 0.000 9.421 -5.329) 10.824 10.792 ( 0.000 7.163 6.321) 9.553 10.801 ( 0.000 5.242 9.041) 10.451 11.277 ( 0.000 16.132 -6.831) 17.519 11.302 ( 0.000 -7.015 -7.799) 10.490 11.365 ( 0.000 -6.704 -5.355) 8.580 11.735 ( 0.000 -1.656 1.168) 2.027 12.155 ( 0.000 9.786 6.622) 11.816 12.608 ( 0.000 -13.812 -1.732) 13.920 12.958 ( 0.000 -6.978 -3.749) 7.921 13.773 ( 0.000 20.838 4.976) 21.424 14.825 ( 0.000 5.317 -6.543) 8.431 14.852 ( 0.000 1.305 1.663) 2.114 15.168 ( 0.000 -15.491 -3.761) 15.941======================= Grid point 82 (32/140) =======================q-point: ( 0.12 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.283 ( 5.553 24.714 4.605) 25.746 1.527 ( 12.946 21.907 14.295) 29.187 2.542 ( 7.997 3.042 1.707) 8.724 2.640 ( 13.789 21.628 9.724) 27.431 2.732 ( 8.922 -8.340 5.260) 13.298 3.305 ( -4.257 2.631 6.050) 7.852 3.413 ( -11.628 -2.031 -0.449) 11.813 3.729 ( 1.412 -7.582 2.617) 8.144 3.854 ( 4.609 -6.746 2.970) 8.693 4.235 ( -0.308 -0.911 6.511) 6.582 4.293 ( 1.428 -2.264 7.547) 8.007 4.946 ( -3.583 -12.380 3.268) 13.296 5.179 ( -6.270 -3.809 11.505) 13.645 5.297 ( 1.930 -12.325 1.819) 12.607 5.546 ( 10.285 4.119 -1.988) 11.257 5.987 ( -2.930 -4.951 -2.942) 6.462 6.254 ( -12.185 6.357 -5.612) 14.846 6.369 ( -7.791 3.823 -5.280) 10.158 6.688 ( -13.257 5.130 -0.310) 14.218 6.777 ( -4.994 1.268 0.545) 5.181 6.787 ( -6.126 3.194 -0.124) 6.910 7.282 ( 7.988 -1.534 -1.801) 8.331 7.377 ( -6.328 -1.828 -1.637) 6.788 7.417 ( 2.921 -13.392 -0.014) 13.707 8.197 ( 17.730 2.476 -9.401) 20.220 8.417 ( 6.927 1.628 -2.492) 7.540 8.452 ( 8.543 -3.445 0.122) 9.212 8.514 ( 9.977 -3.733 1.357) 10.738 9.388 ( -4.195 1.109 -6.458) 7.781 9.414 ( -1.740 4.668 -8.584) 9.925 9.696 ( -1.239 -2.355 1.720) 3.169 9.901 ( -1.410 -8.210 4.161) 9.311 10.298 ( -3.644 -1.537 -1.900) 4.388 10.363 ( -2.349 -1.534 -2.003) 3.447 10.570 ( 6.100 9.451 -5.435) 12.493 10.662 ( -9.030 6.952 7.074) 13.414 10.792 ( -4.012 3.894 6.228) 8.370 11.218 ( -1.669 6.488 -5.391) 8.599 11.324 ( -3.000 1.307 -2.888) 4.365 11.410 ( 5.028 -2.785 -11.238) 12.622 11.760 ( 2.709 -2.249 3.062) 4.667 12.135 ( -1.587 9.874 7.325) 12.396 12.631 ( 2.265 -13.270 -1.103) 13.507 12.967 ( 0.555 -7.637 -2.983) 8.218 13.796 ( 2.266 20.793 4.649) 21.426 14.675 ( -10.159 9.952 -1.265) 14.278 14.930 ( 3.925 -1.732 -1.991) 4.729 15.171 ( 0.181 -15.186 -3.766) 15.647======================= Grid point 83 (33/140) =======================q-point: ( 0.25 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.520 ( 16.989 19.859 -1.229) 26.163 1.812 ( 15.434 18.825 11.980) 27.131 2.639 ( 5.011 -11.651 -0.459) 12.692 2.878 ( 4.223 -5.702 1.218) 7.200 3.020 ( 4.136 18.599 5.946) 19.960 3.190 ( -8.163 4.709 4.453) 10.423 3.273 ( 13.202 9.062 7.037) 17.491 3.755 ( 2.917 -8.014 3.033) 9.051 3.939 ( 3.019 -10.472 4.123) 11.652 4.260 ( 3.392 1.625 1.079) 3.913 4.335 ( 3.126 0.536 9.597) 10.107 4.883 ( -2.867 -11.760 1.884) 12.251 5.038 ( -7.129 -1.960 10.309) 12.686 5.345 ( 2.973 -10.624 2.545) 11.322 5.785 ( 11.652 -0.960 -3.419) 12.181 5.822 ( -17.280 4.330 -1.105) 17.848 6.026 ( -5.700 -0.418 -3.269) 6.584 6.146 ( -13.305 1.527 -3.196) 13.769 6.344 ( -15.704 3.798 0.484) 16.164 6.694 ( -3.780 -0.356 2.102) 4.340 6.771 ( 0.192 9.533 -0.926) 9.580 7.167 ( -10.704 1.157 -1.170) 10.830 7.505 ( 10.500 -8.176 -4.143) 13.938 7.542 ( 8.261 -14.524 -2.091) 16.839 8.432 ( 8.578 2.548 -6.970) 11.343 8.526 ( 5.374 -0.253 -6.597) 8.513 8.693 ( 10.627 -1.558 -2.524) 11.033 8.766 ( 13.293 -2.455 0.003) 13.518 9.272 ( -6.832 2.385 -3.038) 7.848 9.388 ( -0.631 7.587 -7.769) 10.877 9.680 ( 0.084 -0.832 -0.413) 0.933 9.881 ( -0.019 -11.670 1.098) 11.721 10.220 ( -4.124 -2.672 -0.373) 4.928 10.291 ( -4.560 -3.226 -1.217) 5.717 10.438 ( -12.030 4.900 8.135) 15.327 10.625 ( -8.954 3.425 1.736) 9.743 10.745 ( 6.515 7.325 -3.957) 10.571 11.200 ( -2.036 7.803 -4.911) 9.442 11.266 ( -0.819 1.666 -2.468) 3.088 11.473 ( 0.978 1.165 -8.671) 8.804 11.844 ( 5.371 -3.262 4.268) 7.596 12.105 ( -1.352 7.845 7.171) 10.714 12.691 ( 3.598 -12.151 0.262) 12.676 12.964 ( -1.038 -8.726 -0.905) 8.834 13.862 ( 4.341 20.818 3.619) 21.571 14.462 ( -10.601 14.639 0.702) 18.088 15.009 ( 3.984 -5.257 -2.361) 7.006 15.173 ( -0.014 -14.288 -3.741) 14.770======================= Grid point 84 (34/140) =======================q-point: ( 0.38 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 20.014 13.402 -2.274) 24.194 2.116 ( 14.077 13.367 8.125) 21.044 2.731 ( 1.131 -6.383 1.601) 6.677 2.803 ( -13.916 12.939 2.009) 19.108 2.858 ( -3.511 1.865 -1.759) 4.347 3.063 ( -5.764 -5.530 6.134) 10.072 3.766 ( 18.408 3.318 3.015) 18.946 3.878 ( 11.547 -1.790 3.402) 12.170 3.979 ( 5.081 -9.396 6.152) 12.327 4.386 ( 8.969 2.641 0.429) 9.360 4.409 ( 3.504 2.036 7.274) 8.326 4.802 ( -6.871 -10.293 2.297) 12.587 4.926 ( -2.905 0.124 8.229) 8.728 5.379 ( -24.010 8.318 2.555) 25.539 5.419 ( 4.737 -7.892 3.405) 9.814 5.791 ( -12.554 0.278 0.239) 12.560 5.936 ( -1.971 -1.998 -2.831) 3.987 6.082 ( -7.320 1.560 -1.396) 7.613 6.152 ( 10.132 -5.181 -3.020) 11.774 6.590 ( -7.217 -4.666 -0.052) 8.594 6.791 ( 1.922 12.048 -0.135) 12.202 6.973 ( -8.217 7.536 -1.027) 11.196 7.670 ( 6.772 -15.452 -4.884) 17.564 7.711 ( 6.511 -13.138 -2.707) 14.911 8.586 ( 6.628 1.918 -5.672) 8.932 8.632 ( 5.257 1.532 -10.308) 11.672 8.809 ( 1.932 -1.133 -4.215) 4.773 8.956 ( 1.323 -2.951 -3.368) 4.669 9.189 ( 2.470 7.085 0.826) 7.548 9.379 ( -0.984 10.322 -4.418) 11.271 9.719 ( 4.322 1.085 -0.037) 4.457 9.908 ( 1.918 -10.921 -4.485) 11.961 10.138 ( -5.174 0.781 1.488) 5.440 10.176 ( -5.999 -6.042 4.837) 9.793 10.237 ( -5.923 -2.842 5.350) 8.472 10.397 ( -12.052 0.279 1.740) 12.180 10.889 ( 6.948 8.068 -5.075) 11.795 11.119 ( -4.950 7.097 -4.824) 9.906 11.308 ( 3.728 4.568 -1.926) 6.203 11.455 ( -2.428 3.175 -5.108) 6.486 11.951 ( 4.969 -2.730 3.687) 6.763 12.077 ( -1.658 3.726 5.537) 6.877 12.769 ( 4.173 -11.121 1.566) 11.981 12.924 ( -2.969 -9.649 1.176) 10.163 13.967 ( 6.123 20.480 2.335) 21.503 14.267 ( -9.029 17.377 1.217) 19.621 15.083 ( 3.352 -8.302 -2.833) 9.390 15.166 ( -0.807 -12.823 -3.599) 13.343======================= Grid point 85 (35/140) =======================q-point: (-0.50 0.29 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.232 ( -8.533 7.472 1.021) 11.388 2.232 ( 8.533 7.472 1.021) 11.388 2.626 ( -2.619 14.179 2.673) 14.665 2.626 ( 2.619 14.179 2.673) 14.665 2.936 ( -6.772 -6.628 2.560) 9.816 2.936 ( 6.772 -6.628 2.560) 9.816 3.903 ( -3.161 -12.131 1.845) 12.671 3.903 ( 3.161 -12.131 1.845) 12.671 4.362 ( -13.940 6.015 4.099) 15.726 4.362 ( 13.940 6.015 4.099) 15.726 4.584 ( -11.845 -1.384 2.982) 12.293 4.584 ( 11.845 -1.384 2.982) 12.293 4.993 ( -11.675 3.872 6.295) 13.818 4.993 ( 11.675 3.872 6.295) 13.818 5.554 ( -9.419 -3.874 3.356) 10.723 5.554 ( 9.419 -3.874 3.356) 10.723 5.956 ( -3.711 0.026 -2.326) 4.380 5.956 ( 3.711 0.026 -2.326) 4.380 6.399 ( -11.792 -7.599 -2.859) 14.317 6.399 ( 11.792 -7.599 -2.859) 14.317 6.851 ( -4.278 12.359 0.068) 13.078 6.851 ( 4.278 12.359 0.068) 13.078 7.760 ( -1.586 -15.661 -4.179) 16.286 7.760 ( 1.586 -15.661 -4.179) 16.286 8.680 ( -2.225 2.800 -7.633) 8.430 8.680 ( 2.225 2.800 -7.633) 8.430 8.864 ( -5.747 -2.026 -5.705) 8.348 8.864 ( 5.747 -2.026 -5.705) 8.348 9.315 ( -5.946 9.174 -0.194) 10.934 9.315 ( 5.946 9.174 -0.194) 10.934 9.850 ( -7.732 1.422 -2.061) 8.128 9.850 ( 7.732 1.422 -2.061) 8.128 10.103 ( -3.813 -9.615 4.323) 11.210 10.103 ( 3.813 -9.615 4.323) 11.210 10.213 ( -4.594 -1.332 2.266) 5.293 10.213 ( 4.594 -1.332 2.266) 5.293 11.014 ( -5.718 7.684 -4.742) 10.688 11.014 ( 5.718 7.684 -4.742) 10.688 11.388 ( -4.030 4.406 -2.901) 6.639 11.388 ( 4.030 4.406 -2.901) 6.639 12.032 ( -3.087 -0.247 4.041) 5.092 12.032 ( 3.087 -0.247 4.041) 5.092 12.852 ( -4.048 -10.366 2.052) 11.317 12.852 ( 4.048 -10.366 2.052) 11.317 14.103 ( -7.549 19.297 1.504) 20.776 14.103 ( 7.549 19.297 1.504) 20.776 15.138 ( -2.082 -10.825 -3.285) 11.502 15.138 ( 2.082 -10.825 -3.285) 11.502======================= Grid point 90 (36/140) =======================q-point: ( 0.00 0.43 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.792 ( 0.000 22.479 5.502) 23.143 1.831 ( 0.000 22.847 9.486) 24.738 2.238 ( 0.000 -18.232 2.676) 18.427 2.285 ( 0.000 -18.665 8.173) 20.376 3.248 ( 0.000 26.195 3.425) 26.418 3.453 ( 0.000 -6.214 -4.413) 7.622 3.463 ( 0.000 11.243 1.061) 11.293 3.625 ( 0.000 7.253 8.346) 11.057 3.687 ( 0.000 -7.161 6.946) 9.976 4.036 ( 0.000 -19.537 -0.042) 19.537 4.320 ( 0.000 8.277 5.727) 10.065 4.615 ( 0.000 -19.329 5.501) 20.097 5.123 ( 0.000 0.761 7.190) 7.230 5.186 ( 0.000 -3.622 10.685) 11.282 5.637 ( 0.000 10.431 -1.066) 10.485 5.850 ( 0.000 -9.326 -2.337) 9.614 6.483 ( 0.000 2.586 -7.093) 7.549 6.501 ( 0.000 0.889 -6.309) 6.371 6.820 ( 0.000 2.905 -0.276) 2.918 6.894 ( 0.000 -4.189 -0.665) 4.242 6.911 ( 0.000 6.933 -1.821) 7.168 7.084 ( 0.000 -9.455 -2.121) 9.690 7.325 ( 0.000 2.375 0.862) 2.527 7.400 ( 0.000 -4.369 1.026) 4.488 8.065 ( 0.000 8.042 -2.004) 8.288 8.217 ( 0.000 -6.236 0.522) 6.258 8.392 ( 0.000 0.776 -3.250) 3.341 8.404 ( 0.000 -0.362 -3.221) 3.241 9.453 ( 0.000 1.055 -4.461) 4.584 9.471 ( 0.000 -0.136 -5.712) 5.713 9.710 ( 0.000 3.020 2.890) 4.180 9.803 ( 0.000 -4.937 1.459) 5.148 10.346 ( 0.000 -0.317 -1.380) 1.416 10.351 ( 0.000 -0.689 -2.219) 2.323 10.715 ( 0.000 11.579 -6.675) 13.365 10.891 ( 0.000 2.512 4.980) 5.578 10.894 ( 0.000 2.329 4.980) 5.497 10.990 ( 0.000 -14.552 -8.321) 16.763 11.436 ( 0.000 5.085 -4.503) 6.792 11.510 ( 0.000 0.822 -8.856) 8.894 11.835 ( 0.000 15.548 1.900) 15.664 12.240 ( 0.000 -19.835 -1.604) 19.899 12.413 ( 0.000 14.175 7.860) 16.208 12.719 ( 0.000 -14.056 5.177) 14.979 14.268 ( 0.000 24.360 -1.417) 24.402 14.749 ( 0.000 -19.503 -4.297) 19.971 14.890 ( 0.000 1.367 -1.821) 2.276 14.902 ( 0.000 -1.240 1.400) 1.870======================= Grid point 91 (37/140) =======================q-point: ( 0.12 0.43 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.793 ( 3.998 23.110 2.089) 23.546 1.989 ( 11.176 21.192 10.441) 26.135 2.241 ( 2.522 -18.314 0.982) 18.513 2.412 ( 9.777 -17.847 7.599) 21.722 3.315 ( 3.719 11.754 0.720) 12.349 3.419 ( -3.882 0.259 -1.428) 4.144 3.471 ( 3.358 20.513 4.237) 21.214 3.619 ( 0.240 4.657 6.610) 8.090 3.685 ( -0.596 -8.422 6.606) 10.721 4.061 ( 3.078 -17.790 0.100) 18.055 4.341 ( 2.070 7.794 5.360) 9.683 4.614 ( -0.025 -17.573 5.197) 18.325 5.110 ( -1.646 0.785 7.874) 8.082 5.168 ( -1.335 -3.540 10.513) 11.173 5.681 ( 4.416 7.897 -2.209) 9.314 5.851 ( 0.046 -7.668 -2.624) 8.105 6.364 ( -11.415 3.667 -5.981) 13.398 6.404 ( -9.729 -0.188 -5.701) 11.277 6.751 ( -12.967 1.146 -0.255) 13.020 6.763 ( -5.794 -0.230 0.554) 5.825 6.927 ( 1.582 7.984 -1.795) 8.335 7.130 ( 3.953 -11.159 -1.754) 11.968 7.293 ( 0.337 0.534 1.051) 1.226 7.329 ( -5.097 -2.468 0.379) 5.675 8.268 ( 14.212 4.188 -6.563) 16.205 8.365 ( 10.364 -4.730 -3.310) 11.863 8.453 ( 7.559 1.443 -2.136) 7.987 8.474 ( 8.242 -0.815 -0.883) 8.329 9.419 ( -3.099 1.977 -3.038) 4.769 9.459 ( -0.986 -0.842 -5.692) 5.838 9.696 ( -1.150 2.822 2.549) 3.973 9.780 ( -2.135 -4.443 1.466) 5.143 10.276 ( -5.342 0.299 -1.063) 5.455 10.313 ( -4.350 -2.669 -1.624) 5.355 10.771 ( -3.109 7.425 -0.484) 8.065 10.802 ( 0.534 7.962 -1.730) 8.165 10.835 ( -6.917 -0.267 3.869) 7.930 11.038 ( 4.387 -12.637 -7.947) 15.559 11.414 ( -2.010 6.073 -4.886) 8.050 11.511 ( -0.274 -1.003 -7.558) 7.630 11.874 ( 3.773 15.717 2.346) 16.333 12.273 ( 3.093 -19.464 -0.679) 19.720 12.401 ( -1.189 14.631 8.214) 16.821 12.717 ( -0.405 -14.506 5.464) 15.506 14.287 ( 1.922 24.074 -1.506) 24.198 14.760 ( 1.036 -18.341 -4.087) 18.820 14.833 ( -4.452 3.368 -0.838) 5.645 14.908 ( -0.190 -3.501 0.117) 3.508======================= Grid point 92 (38/140) =======================q-point: ( 0.25 0.43 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.952 ( 11.337 20.179 -1.410) 23.188 2.223 ( 11.550 19.612 9.505) 24.665 2.342 ( 7.348 -16.405 -0.797) 17.994 2.615 ( 9.167 -16.720 5.097) 19.738 3.287 ( -6.316 7.915 2.487) 10.427 3.304 ( -5.728 9.080 -0.293) 10.740 3.535 ( -1.126 -4.648 4.970) 6.897 3.652 ( -2.040 -13.874 4.185) 14.635 3.788 ( 17.945 22.120 6.554) 29.228 4.179 ( 8.924 -11.194 1.314) 14.376 4.398 ( 3.533 6.475 4.467) 8.623 4.615 ( 0.146 -13.476 4.460) 14.195 5.050 ( -3.725 3.403 9.380) 10.651 5.160 ( 0.770 -6.784 8.521) 10.919 5.797 ( 5.327 2.110 -2.441) 6.228 5.848 ( -0.397 -1.857 -2.847) 3.422 6.069 ( -16.249 3.886 -4.065) 17.195 6.137 ( -15.854 -2.048 -4.068) 16.495 6.461 ( -14.287 7.060 0.493) 15.944 6.615 ( -9.119 -6.569 1.222) 11.305 6.976 ( 3.263 10.206 -1.674) 10.844 7.190 ( 0.984 -5.338 -3.594) 6.510 7.277 ( 1.321 -3.200 0.884) 3.573 7.361 ( 4.941 -6.229 -0.520) 7.968 8.474 ( 7.893 1.816 -8.254) 11.564 8.511 ( 6.443 -1.421 -8.530) 10.784 8.693 ( 11.867 1.281 -2.777) 12.255 8.727 ( 13.552 -1.667 -1.378) 13.723 9.350 ( -2.961 5.106 -0.361) 5.914 9.457 ( 1.688 -2.825 -4.703) 5.740 9.684 ( 0.472 1.654 1.924) 2.580 9.732 ( -2.099 -2.568 0.246) 3.326 10.158 ( -6.139 -1.199 1.302) 6.389 10.199 ( -6.632 -4.366 -0.419) 7.951 10.556 ( -13.252 5.260 4.297) 14.891 10.636 ( -12.463 -2.020 2.777) 12.927 10.935 ( 7.494 9.826 -7.011) 14.208 11.143 ( 5.738 -9.487 -7.554) 13.416 11.362 ( -3.206 7.430 -5.142) 9.588 11.490 ( -1.830 -3.464 -6.435) 7.533 11.972 ( 5.820 15.258 3.551) 16.712 12.350 ( 3.371 -12.961 2.450) 13.615 12.366 ( -1.266 9.566 7.566) 12.263 12.695 ( -1.954 -15.329 6.084) 16.607 14.342 ( 3.458 23.119 -1.693) 23.437 14.721 ( -5.561 9.787 -0.799) 11.285 14.797 ( 1.705 -18.792 -3.865) 19.261 14.899 ( -0.577 -7.533 -0.707) 7.588======================= Grid point 93 (39/140) =======================q-point: ( 0.38 0.43 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.209 ( 13.512 14.905 -1.797) 20.198 2.414 ( 6.831 13.340 5.153) 15.849 2.512 ( 8.696 -11.218 0.619) 14.207 2.723 ( 0.818 -12.794 1.735) 12.937 3.131 ( -6.719 16.637 3.026) 18.196 3.197 ( -5.949 15.071 3.608) 16.599 3.505 ( -0.414 -16.175 3.738) 16.607 3.600 ( -3.088 -19.260 3.197) 19.766 4.194 ( 20.147 14.189 4.383) 25.029 4.386 ( 10.465 -3.803 1.848) 11.287 4.469 ( 3.055 4.441 3.591) 6.477 4.611 ( -1.031 -8.476 3.782) 9.339 5.007 ( 0.952 7.508 8.366) 11.281 5.212 ( 5.290 -10.953 7.181) 14.125 5.572 ( -21.202 9.347 1.554) 23.223 5.745 ( -18.231 -6.043 0.764) 19.221 5.933 ( 3.684 3.149 -4.148) 6.379 6.030 ( 7.207 -5.081 -3.844) 9.619 6.210 ( -10.721 8.550 -0.331) 13.717 6.418 ( -10.332 -10.152 -0.115) 14.486 7.051 ( 4.100 12.747 -1.627) 13.488 7.178 ( -1.595 10.339 -1.993) 10.649 7.352 ( 4.841 -13.762 -2.753) 14.846 7.440 ( 2.156 -12.375 -1.593) 12.662 8.622 ( 7.022 1.681 -7.322) 10.283 8.648 ( 7.399 -0.445 -8.916) 11.595 8.821 ( 0.794 2.306 -4.670) 5.268 8.887 ( 0.799 -3.481 -4.514) 5.756 9.367 ( 6.009 9.724 0.957) 11.471 9.542 ( 5.675 -0.444 -5.061) 7.617 9.692 ( -0.507 -3.022 0.276) 3.077 9.744 ( 3.829 -0.593 -2.459) 4.589 10.046 ( -5.391 -3.280 4.328) 7.652 10.081 ( -2.927 -5.120 3.426) 6.821 10.279 ( -13.913 4.861 5.498) 15.729 10.369 ( -13.544 -3.162 3.033) 14.235 11.076 ( 6.561 9.201 -7.017) 13.303 11.254 ( 4.651 -5.708 -7.217) 10.309 11.291 ( -3.301 6.767 -5.601) 9.384 11.439 ( -3.352 -5.028 -6.351) 8.766 12.092 ( 5.996 14.624 5.172) 16.630 12.297 ( -4.030 15.023 8.142) 17.557 12.453 ( 5.114 -17.524 3.718) 18.629 12.638 ( -3.714 -16.047 6.275) 17.626 14.420 ( 4.351 21.320 -1.776) 21.832 14.612 ( -5.308 14.810 -1.165) 15.775 14.834 ( 1.846 -17.403 -3.404) 17.828 14.886 ( -0.784 -11.595 -1.748) 11.752======================= Grid point 94 (40/140) =======================q-point: (-0.50 0.43 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.430 ( -6.538 10.778 0.915) 12.639 2.430 ( 6.538 10.778 0.915) 12.639 2.657 ( -5.986 -9.699 0.331) 11.402 2.657 ( 5.986 -9.699 0.331) 11.402 3.092 ( -3.077 19.634 4.530) 20.384 3.092 ( 3.077 19.634 4.530) 20.384 3.535 ( -3.022 -20.874 3.306) 21.349 3.535 ( 3.022 -20.874 3.306) 21.349 4.469 ( -5.189 4.468 2.215) 7.197 4.469 ( 5.189 4.468 2.215) 7.197 4.548 ( -5.646 -2.750 3.318) 7.103 4.548 ( 5.646 -2.750 3.318) 7.103 5.170 ( -16.290 11.288 5.515) 20.572 5.170 ( 16.290 11.288 5.515) 20.572 5.405 ( -14.314 -9.874 4.455) 17.951 5.405 ( 14.314 -9.874 4.455) 17.951 6.035 ( -6.815 6.934 -2.245) 9.978 6.035 ( 6.815 6.934 -2.245) 9.978 6.214 ( -10.046 -9.295 -2.076) 13.843 6.214 ( 10.046 -9.295 -2.076) 13.843 7.128 ( -3.402 13.846 -1.623) 14.350 7.128 ( 3.402 13.846 -1.623) 14.350 7.433 ( -2.689 -15.131 -3.184) 15.695 7.433 ( 2.689 -15.131 -3.184) 15.695 8.745 ( -3.837 3.271 -6.531) 8.251 8.745 ( 3.837 3.271 -6.531) 8.251 8.811 ( -5.134 -2.913 -6.014) 8.427 8.811 ( 5.134 -2.913 -6.014) 8.427 9.527 ( -7.379 10.773 -2.197) 13.241 9.527 ( 7.379 10.773 -2.197) 13.241 9.756 ( -5.080 -10.093 -4.850) 12.296 9.756 ( 5.080 -10.093 -4.850) 12.296 10.041 ( -7.825 3.505 7.697) 11.522 10.041 ( 7.825 3.505 7.697) 11.522 10.141 ( -8.161 -4.868 4.770) 10.632 10.141 ( 8.161 -4.868 4.770) 10.632 11.193 ( -5.225 8.816 -6.452) 12.110 11.193 ( 5.225 8.816 -6.452) 12.110 11.359 ( -4.584 -6.062 -6.706) 10.136 11.359 ( 4.584 -6.062 -6.706) 10.136 12.204 ( -5.232 14.650 6.867) 17.005 12.204 ( 5.232 14.650 6.867) 17.005 12.552 ( -4.806 -16.734 5.465) 18.248 12.552 ( 4.806 -16.734 5.465) 18.248 14.512 ( -4.800 18.574 -1.595) 19.251 14.512 ( 4.800 18.574 -1.595) 19.251 14.866 ( -1.304 -14.931 -2.687) 15.227 14.866 ( 1.304 -14.931 -2.687) 15.227======================= Grid point 126 (41/140) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 0.000 0.000 27.002) 27.002 1.129 ( 0.000 0.000 28.028) 28.028 1.660 ( 0.000 0.000 39.371) 39.371 2.850 ( 0.000 0.000 5.536) 5.536 3.033 ( 0.000 0.000 7.885) 7.885 3.519 ( 0.000 0.000 10.870) 10.870 3.595 ( 0.000 0.000 -9.009) 9.009 3.924 ( 0.000 0.000 6.434) 6.434 4.063 ( 0.000 0.000 8.361) 8.361 4.418 ( 0.000 0.000 4.423) 4.423 5.046 ( 0.000 0.000 -4.140) 4.140 5.103 ( 0.000 0.000 -8.111) 8.111 5.333 ( 0.000 0.000 -7.547) 7.547 5.660 ( 0.000 0.000 -11.706) 11.706 5.730 ( 0.000 0.000 16.432) 16.432 5.898 ( 0.000 0.000 -2.069) 2.069 6.122 ( 0.000 0.000 -5.472) 5.472 6.300 ( 0.000 0.000 5.569) 5.569 6.698 ( 0.000 0.000 -0.109) 0.109 6.705 ( 0.000 0.000 -3.034) 3.034 6.798 ( 0.000 0.000 -0.739) 0.739 7.134 ( 0.000 0.000 -0.685) 0.685 7.406 ( 0.000 0.000 4.102) 4.102 7.442 ( 0.000 0.000 2.019) 2.019 8.146 ( 0.000 0.000 1.866) 1.866 8.243 ( 0.000 0.000 -2.006) 2.006 8.515 ( 0.000 0.000 1.076) 1.076 8.711 ( 0.000 0.000 -7.188) 7.188 8.755 ( 0.000 0.000 -20.352) 20.352 9.295 ( 0.000 0.000 -5.087) 5.087 9.837 ( 0.000 0.000 -4.601) 4.601 10.134 ( 0.000 0.000 -4.813) 4.813 10.144 ( 0.000 0.000 -6.361) 6.361 10.253 ( 0.000 0.000 -6.654) 6.654 10.378 ( 0.000 0.000 -0.957) 0.957 10.658 ( 0.000 0.000 7.451) 7.451 10.906 ( 0.000 0.000 2.897) 2.897 11.134 ( 0.000 0.000 -6.411) 6.411 11.248 ( 0.000 0.000 5.800) 5.800 11.595 ( 0.000 0.000 -19.932) 19.932 11.776 ( 0.000 0.000 -0.939) 0.939 12.045 ( 0.000 0.000 5.249) 5.249 12.552 ( 0.000 0.000 -1.537) 1.537 12.605 ( 0.000 0.000 1.161) 1.161 13.541 ( 0.000 0.000 7.338) 7.338 14.510 ( 0.000 0.000 11.207) 11.207 14.896 ( 0.000 0.000 5.085) 5.085 15.381 ( 0.000 0.000 -8.663) 8.663======================= Grid point 127 (42/140) =======================q-point: ( 0.12 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.945 ( -3.978 0.000 26.219) 26.519 1.217 ( 12.907 0.000 23.538) 26.844 2.124 ( 33.583 0.000 32.479) 46.720 2.823 ( -1.047 0.000 2.745) 2.937 3.073 ( 1.005 0.000 7.925) 7.988 3.443 ( -13.140 0.000 -4.754) 13.973 3.524 ( 1.269 0.000 10.533) 10.610 3.970 ( 2.985 0.000 3.428) 4.546 4.045 ( -1.024 0.000 8.065) 8.130 4.369 ( -4.452 0.000 5.500) 7.076 4.907 ( -11.616 0.000 6.081) 13.112 5.096 ( 1.066 0.000 -11.143) 11.194 5.492 ( 13.213 0.000 -5.809) 14.433 5.563 ( -9.819 0.000 12.352) 15.780 5.694 ( -0.523 0.000 -4.842) 4.870 5.862 ( -3.463 0.000 -2.263) 4.137 6.051 ( -8.291 0.000 -1.964) 8.521 6.303 ( -19.861 0.000 4.611) 20.389 6.311 ( 1.196 0.000 5.400) 5.530 6.647 ( -4.649 0.000 0.220) 4.655 6.854 ( -13.532 0.000 -0.406) 13.538 7.124 ( 18.002 0.000 -8.691) 19.991 7.369 ( -7.583 0.000 1.849) 7.805 7.791 ( 18.638 0.000 -1.577) 18.705 8.049 ( -1.964 0.000 -5.518) 5.857 8.405 ( 6.837 0.000 2.517) 7.285 8.616 ( 10.852 0.000 -0.919) 10.891 8.757 ( 3.112 0.000 -11.122) 11.549 8.771 ( 2.134 0.000 -16.196) 16.336 9.258 ( -4.181 0.000 -4.338) 6.025 9.816 ( -1.650 0.000 -3.874) 4.211 10.107 ( -3.569 0.000 -5.949) 6.937 10.109 ( -2.412 0.000 -5.858) 6.336 10.245 ( -0.921 0.000 -5.029) 5.113 10.398 ( 2.220 0.000 -1.730) 2.815 10.636 ( -2.038 0.000 7.304) 7.583 10.879 ( -2.108 0.000 -0.041) 2.109 11.130 ( -1.106 0.000 -4.013) 4.162 11.164 ( -7.766 0.000 6.404) 10.066 11.445 ( -6.712 0.000 -6.995) 9.694 11.947 ( 10.433 0.000 -9.236) 13.934 12.097 ( 4.782 0.000 4.573) 6.616 12.591 ( 2.884 0.000 -4.975) 5.751 12.595 ( -1.055 0.000 1.186) 1.588 13.634 ( 7.303 0.000 6.675) 9.893 14.428 ( -7.270 0.000 13.491) 15.325 14.954 ( 5.058 0.000 1.591) 5.303 15.378 ( -0.342 0.000 -8.572) 8.579======================= Grid point 128 (43/140) =======================q-point: ( 0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 20.009 0.000 10.266) 22.489 1.546 ( 19.144 0.000 17.501) 25.938 2.731 ( 13.738 0.000 20.640) 24.794 2.851 ( 7.524 0.000 -0.898) 7.578 3.060 ( 6.011 0.000 8.978) 10.804 3.130 ( -17.686 0.000 0.179) 17.687 3.554 ( 0.229 0.000 9.948) 9.950 4.017 ( 1.772 0.000 1.514) 2.330 4.091 ( 7.526 0.000 8.259) 11.173 4.266 ( -5.330 0.000 5.426) 7.606 4.707 ( -7.021 0.000 13.921) 15.591 5.160 ( 5.071 0.000 -11.024) 12.135 5.372 ( -8.923 0.000 14.686) 17.184 5.610 ( -12.219 0.000 -4.726) 13.101 5.740 ( -0.965 0.000 -1.404) 1.703 5.811 ( 10.159 0.000 -7.103) 12.396 5.822 ( -10.577 0.000 1.682) 10.710 6.036 ( -7.314 0.000 1.533) 7.473 6.349 ( 2.710 0.000 4.645) 5.377 6.537 ( -5.943 0.000 0.988) 6.025 6.604 ( -12.294 0.000 0.151) 12.295 7.161 ( -12.496 0.000 -0.592) 12.510 7.498 ( 19.391 0.000 -9.962) 21.800 8.058 ( 9.745 0.000 -1.502) 9.860 8.085 ( 4.514 0.000 -9.033) 10.098 8.466 ( -0.106 0.000 -6.589) 6.590 8.778 ( -1.395 0.000 -13.387) 13.459 8.841 ( 8.531 0.000 -10.021) 13.161 8.910 ( 13.319 0.000 5.713) 14.493 9.121 ( -9.290 0.000 -3.446) 9.909 9.787 ( -1.125 0.000 -3.033) 3.235 10.014 ( -5.429 0.000 -4.873) 7.295 10.046 ( -3.624 0.000 -6.977) 7.862 10.211 ( -2.627 0.000 -1.990) 3.296 10.471 ( 4.994 0.000 -3.708) 6.221 10.589 ( -2.290 0.000 6.719) 7.098 10.835 ( -2.520 0.000 -4.990) 5.590 10.971 ( -10.956 0.000 7.248) 13.137 11.104 ( -0.421 0.000 -0.189) 0.461 11.367 ( -2.622 0.000 -0.872) 2.763 12.157 ( 10.888 0.000 -10.595) 15.193 12.210 ( 6.109 0.000 3.387) 6.985 12.563 ( -2.165 0.000 1.270) 2.510 12.635 ( 1.158 0.000 -8.151) 8.232 13.764 ( 5.264 0.000 8.766) 10.225 14.259 ( -9.126 0.000 14.959) 17.523 15.071 ( 6.233 0.000 -2.535) 6.729 15.365 ( -1.001 0.000 -8.234) 8.295======================= Grid point 129 (44/140) =======================q-point: ( 0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( 26.635 0.000 1.986) 26.709 1.947 ( 20.804 0.000 12.420) 24.230 2.567 ( -18.103 0.000 4.418) 18.635 2.758 ( -19.536 0.000 4.424) 20.030 2.987 ( 7.288 0.000 -2.201) 7.613 3.310 ( -2.101 0.000 3.047) 3.701 3.729 ( 25.975 0.000 18.733) 32.025 4.050 ( 1.832 0.000 1.245) 2.215 4.169 ( -4.341 0.000 3.833) 5.791 4.329 ( 13.656 0.000 8.515) 16.093 4.603 ( -4.828 0.000 9.006) 10.219 5.145 ( -18.831 0.000 7.054) 20.109 5.284 ( 7.225 0.000 -8.049) 10.816 5.330 ( -6.263 0.000 13.294) 14.695 5.603 ( -12.486 0.000 3.534) 12.976 5.607 ( -8.158 0.000 -2.899) 8.657 6.020 ( 4.402 0.000 -0.391) 4.419 6.086 ( 12.613 0.000 -5.509) 13.764 6.365 ( -11.496 0.000 -0.160) 11.497 6.393 ( -2.895 0.000 0.666) 2.970 6.462 ( 3.660 0.000 2.681) 4.537 6.899 ( -13.482 0.000 -2.837) 13.777 7.873 ( 17.635 0.000 -8.700) 19.664 8.195 ( 6.161 0.000 -11.323) 12.891 8.202 ( 4.149 0.000 -2.200) 4.696 8.419 ( -4.130 0.000 -12.522) 13.185 8.720 ( -3.169 0.000 -12.280) 12.682 8.913 ( -10.817 0.000 -4.371) 11.667 9.028 ( 9.748 0.000 -2.309) 10.018 9.143 ( 8.006 0.000 5.698) 9.826 9.780 ( 0.681 0.000 -2.298) 2.397 9.905 ( -5.189 0.000 -3.579) 6.303 9.989 ( -1.185 0.000 -5.570) 5.695 10.135 ( -5.009 0.000 -0.068) 5.009 10.564 ( 0.208 0.000 6.066) 6.069 10.580 ( 5.605 0.000 -5.457) 7.822 10.759 ( -9.636 0.000 7.275) 12.074 10.772 ( -3.822 0.000 -7.272) 8.215 11.134 ( 3.321 0.000 2.087) 3.922 11.305 ( -3.836 0.000 1.618) 4.163 12.328 ( 5.622 0.000 2.425) 6.122 12.370 ( 10.073 0.000 -11.138) 15.018 12.508 ( -3.345 0.000 1.449) 3.646 12.627 ( -2.235 0.000 -9.928) 10.176 13.853 ( 4.147 0.000 11.671) 12.385 14.085 ( -8.073 0.000 14.661) 16.736 15.187 ( 5.331 0.000 -4.951) 7.276 15.335 ( -2.133 0.000 -7.565) 7.860======================= Grid point 130 (45/140) =======================q-point: (-0.50 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.133 ( -24.775 0.000 1.200) 24.804 2.133 ( 24.775 0.000 1.200) 24.804 2.359 ( -20.534 0.000 8.297) 22.147 2.359 ( 20.534 0.000 8.297) 22.147 3.158 ( -9.385 0.000 -0.391) 9.393 3.158 ( 9.385 0.000 -0.391) 9.393 4.096 ( -2.960 0.000 2.172) 3.671 4.096 ( 2.960 0.000 2.172) 3.671 4.260 ( -21.584 0.000 12.613) 24.999 4.260 ( 21.584 0.000 12.613) 24.999 4.738 ( -18.360 0.000 6.085) 19.342 4.738 ( 18.360 0.000 6.085) 19.342 5.377 ( -8.639 0.000 12.041) 14.820 5.377 ( 8.639 0.000 12.041) 14.820 5.440 ( -8.330 0.000 -4.993) 9.712 5.440 ( 8.330 0.000 -4.993) 9.712 6.159 ( -8.981 0.000 -0.943) 9.030 6.159 ( 8.981 0.000 -0.943) 9.030 6.280 ( -7.246 0.000 -1.245) 7.353 6.280 ( 7.246 0.000 -1.245) 7.353 6.640 ( -12.016 0.000 -1.911) 12.167 6.640 ( 12.016 0.000 -1.911) 12.167 8.158 ( -9.485 0.000 -5.802) 11.119 8.158 ( 9.485 0.000 -5.802) 11.119 8.317 ( -5.883 0.000 -12.978) 14.249 8.317 ( 5.883 0.000 -12.978) 14.249 8.734 ( -5.795 0.000 -7.865) 9.770 8.734 ( 5.795 0.000 -7.865) 9.770 9.180 ( -4.112 0.000 2.048) 4.594 9.180 ( 4.112 0.000 2.048) 4.594 9.819 ( -3.271 0.000 -2.479) 4.105 9.819 ( 3.271 0.000 -2.479) 4.105 10.028 ( -4.803 0.000 -1.510) 5.035 10.028 ( 4.803 0.000 -1.510) 5.035 10.612 ( -4.876 0.000 6.439) 8.077 10.612 ( 4.876 0.000 6.439) 8.077 10.685 ( -4.868 0.000 -6.753) 8.325 10.685 ( 4.868 0.000 -6.753) 8.325 11.218 ( -4.675 0.000 2.354) 5.234 11.218 ( 4.675 0.000 2.354) 5.234 12.430 ( -4.550 0.000 1.801) 4.893 12.430 ( 4.550 0.000 1.801) 4.893 12.539 ( -6.626 0.000 -10.949) 12.798 12.539 ( 6.626 0.000 -10.949) 12.798 13.947 ( -5.716 0.000 13.600) 14.752 13.947 ( 5.716 0.000 13.600) 14.752 15.278 ( -3.700 0.000 -6.501) 7.481 15.278 ( 3.700 0.000 -6.501) 7.481======================= Grid point 135 (46/140) =======================q-point: ( 0.00 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.257 ( 0.000 11.437 24.036) 26.618 1.285 ( 0.000 15.598 23.040) 27.823 1.963 ( 0.000 27.362 30.908) 41.280 2.791 ( 0.000 -5.603 4.723) 7.328 2.971 ( 0.000 -5.837 8.405) 10.233 3.504 ( 0.000 -0.534 10.972) 10.985 3.593 ( 0.000 -1.158 -7.846) 7.931 3.874 ( 0.000 -5.040 7.156) 8.753 3.986 ( 0.000 -5.531 5.969) 8.137 4.407 ( 0.000 -2.107 3.948) 4.475 4.819 ( 0.000 -15.464 8.094) 17.454 5.149 ( 0.000 2.983 -6.548) 7.196 5.223 ( 0.000 -6.686 -2.006) 6.980 5.572 ( 0.000 -10.099 -4.208) 10.940 5.719 ( 0.000 -1.169 19.080) 19.115 5.938 ( 0.000 1.501 -8.193) 8.330 6.168 ( 0.000 5.012 -6.767) 8.421 6.183 ( 0.000 -2.225 -0.950) 2.420 6.652 ( 0.000 -0.949 -3.048) 3.193 6.775 ( 0.000 3.376 0.142) 3.379 6.976 ( 0.000 3.460 -5.082) 6.148 7.203 ( 0.000 7.889 -1.748) 8.080 7.384 ( 0.000 -1.833 3.746) 4.170 7.450 ( 0.000 1.297 0.656) 1.454 7.973 ( 0.000 -12.148 2.764) 12.459 8.258 ( 0.000 1.301 -1.523) 2.003 8.478 ( 0.000 -8.951 -10.218) 13.584 8.483 ( 0.000 -2.990 0.879) 3.117 9.026 ( 0.000 11.899 -13.612) 18.080 9.295 ( 0.000 0.184 -5.106) 5.110 9.780 ( 0.000 -3.949 -4.990) 6.364 10.104 ( 0.000 -8.807 -5.512) 10.390 10.207 ( 0.000 5.233 -6.398) 8.265 10.224 ( 0.000 3.989 -5.155) 6.518 10.367 ( 0.000 -0.315 0.395) 0.505 10.761 ( 0.000 8.711 7.107) 11.243 10.967 ( 0.000 5.473 0.651) 5.511 11.070 ( 0.000 -4.629 7.960) 9.208 11.225 ( 0.000 0.142 -0.449) 0.471 11.407 ( 0.000 -14.126 -16.777) 21.933 11.761 ( 0.000 -1.167 -1.022) 1.551 12.116 ( 0.000 6.614 6.810) 9.493 12.640 ( 0.000 9.026 -4.824) 10.234 12.776 ( 0.000 3.569 -4.840) 6.014 13.635 ( 0.000 8.630 6.048) 10.538 14.582 ( 0.000 6.356 4.914) 8.034 14.898 ( 0.000 0.063 4.318) 4.319 15.297 ( 0.000 -7.800 -8.306) 11.394======================= Grid point 136 (47/140) =======================q-point: ( 0.12 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( -3.018 13.902 21.426) 25.718 1.441 ( 10.993 17.582 20.167) 28.925 2.328 ( 28.978 18.887 26.796) 43.755 2.771 ( -0.332 -4.658 2.944) 5.520 3.028 ( 3.020 -4.658 8.105) 9.823 3.427 ( -12.953 -1.577 -2.001) 13.202 3.481 ( -1.907 -2.414 8.612) 9.144 3.966 ( 5.114 -2.981 5.310) 7.952 3.983 ( 1.254 -3.551 5.933) 7.028 4.369 ( -3.559 -1.347 4.614) 5.981 4.750 ( -5.712 -11.294 10.366) 16.359 5.051 ( -3.411 -2.964 -5.166) 6.863 5.415 ( 10.759 -3.736 -2.685) 11.702 5.574 ( 0.238 -9.786 -3.215) 10.303 5.596 ( -7.996 0.144 15.933) 17.827 5.938 ( -0.610 2.837 -7.321) 7.875 6.058 ( -10.226 1.346 -1.274) 10.393 6.155 ( -4.102 0.701 -3.606) 5.506 6.573 ( -10.867 7.264 1.912) 13.210 6.672 ( -5.453 4.427 0.465) 7.039 6.834 ( -11.160 -1.592 0.521) 11.284 7.169 ( 11.974 3.637 -7.003) 14.340 7.371 ( -7.701 0.056 1.337) 7.816 7.671 ( 8.670 -10.690 -1.742) 13.874 8.037 ( 8.754 -0.601 -5.025) 10.111 8.381 ( 7.145 -1.459 0.318) 7.299 8.537 ( 6.192 -6.076 -2.763) 9.105 8.573 ( 9.134 -5.639 -8.318) 13.580 9.022 ( -0.044 11.220 -11.750) 16.247 9.261 ( -3.693 0.538 -4.650) 5.962 9.752 ( -2.354 -4.397 -4.123) 6.471 10.054 ( -3.675 -6.959 -6.765) 10.377 10.186 ( -2.420 4.686 -4.943) 7.229 10.269 ( 2.398 6.002 -4.332) 7.781 10.371 ( 1.614 -1.818 -1.663) 2.946 10.716 ( -4.270 6.443 8.440) 11.444 10.927 ( -3.764 2.451 -0.558) 4.527 11.030 ( -3.707 -2.454 6.876) 8.188 11.218 ( -1.850 2.257 -2.102) 3.596 11.356 ( -1.870 -8.641 -11.784) 14.732 11.863 ( 7.936 -5.169 -1.767) 9.634 12.123 ( 0.913 4.775 6.824) 8.379 12.661 ( 1.848 8.892 -4.948) 10.342 12.790 ( 1.297 5.224 -4.840) 7.238 13.690 ( 4.565 5.822 6.450) 9.815 14.495 ( -7.771 6.172 7.873) 12.667 14.945 ( 4.155 -0.822 1.384) 4.456 15.296 ( -0.198 -7.671 -8.231) 11.254======================= Grid point 137 (48/140) =======================q-point: ( 0.25 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.252 ( 16.863 11.487 9.754) 22.615 1.718 ( 16.201 14.383 15.869) 26.854 2.794 ( 5.046 -5.323 -1.877) 7.571 2.852 ( 6.721 10.268 15.583) 19.835 3.050 ( 0.352 -1.963 5.910) 6.237 3.168 ( -2.907 5.091 6.325) 8.624 3.470 ( 1.285 -5.476 8.957) 10.576 3.986 ( 1.648 -4.581 6.143) 7.839 4.124 ( 9.412 2.562 5.687) 11.291 4.283 ( -4.658 0.208 4.804) 6.695 4.648 ( -3.844 -4.953 11.926) 13.474 5.033 ( 1.057 -7.616 -5.325) 9.353 5.360 ( -9.627 -1.988 14.722) 17.702 5.550 ( -1.200 -6.646 -2.532) 7.212 5.683 ( -2.324 -2.002 -2.515) 3.967 5.821 ( -2.451 1.253 0.396) 2.781 5.919 ( -1.887 4.196 -6.814) 8.222 6.022 ( -7.335 0.815 -0.670) 7.411 6.352 ( -9.380 -1.619 2.511) 9.844 6.578 ( -4.147 6.041 -0.129) 7.329 6.691 ( -5.062 5.622 2.761) 8.053 7.140 ( -12.853 -1.628 -1.959) 13.103 7.481 ( 16.501 -1.745 -7.993) 18.417 7.799 ( 6.148 -14.749 -4.140) 16.506 8.222 ( 8.578 4.217 -7.161) 11.943 8.444 ( 0.056 -1.782 -5.986) 6.246 8.667 ( 4.787 -5.112 -8.642) 11.123 8.817 ( 13.103 -3.647 -2.734) 13.874 9.048 ( 3.254 9.495 -5.362) 11.379 9.144 ( -7.471 2.280 -3.339) 8.495 9.712 ( -1.188 -4.758 -3.197) 5.854 9.975 ( -4.284 -4.707 -7.950) 10.184 10.127 ( -3.136 4.742 -3.828) 6.854 10.267 ( -1.693 4.962 -0.586) 5.275 10.443 ( 3.396 0.114 -4.449) 5.598 10.616 ( -4.698 1.721 8.827) 10.147 10.814 ( -7.190 -5.148 1.270) 8.934 10.952 ( -3.740 4.397 -1.165) 5.889 11.172 ( -1.134 3.140 -1.150) 3.531 11.352 ( -0.043 -1.939 -5.173) 5.525 12.021 ( 7.436 -8.403 -1.390) 11.307 12.153 ( 1.929 0.036 5.533) 5.859 12.705 ( 2.540 10.232 -4.961) 11.651 12.818 ( 1.289 7.832 -4.954) 9.357 13.782 ( 4.315 2.836 8.297) 9.772 14.313 ( -9.839 5.514 10.481) 15.397 15.042 ( 5.241 -2.603 -2.233) 6.263 15.287 ( -0.698 -7.261 -7.940) 10.782======================= Grid point 138 (49/140) =======================q-point: ( 0.38 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 24.524 6.914 2.581) 25.610 2.056 ( 17.079 9.317 11.449) 22.574 2.641 ( -17.661 6.959 3.936) 19.386 2.779 ( -16.298 2.048 3.869) 16.876 2.929 ( 7.672 -5.344 -1.413) 9.456 3.272 ( -5.497 -3.585 3.587) 7.480 3.776 ( 27.135 5.037 15.605) 31.705 4.039 ( 3.379 -2.219 3.877) 5.601 4.199 ( -3.052 1.274 4.292) 5.418 4.368 ( 14.531 2.728 6.843) 16.292 4.577 ( -4.732 -1.778 8.277) 9.699 5.037 ( -6.018 -10.361 -0.855) 12.013 5.164 ( -6.976 -2.715 9.342) 11.971 5.376 ( -13.789 0.456 7.831) 15.864 5.545 ( -0.454 -0.649 0.519) 0.947 5.767 ( -10.372 6.992 0.490) 12.518 5.917 ( 3.412 -5.902 -2.191) 7.161 6.072 ( 4.732 -2.314 -3.891) 6.549 6.219 ( -0.045 -7.649 -1.427) 7.781 6.506 ( -3.927 7.750 -1.012) 8.746 6.624 ( -1.047 9.000 3.123) 9.584 6.879 ( -12.679 -0.941 -2.750) 13.008 7.792 ( 13.385 -7.763 -8.322) 17.569 7.919 ( 5.314 -14.300 -5.834) 16.333 8.370 ( 5.707 4.640 -8.740) 11.424 8.421 ( -1.176 1.009 -9.712) 9.835 8.698 ( -0.621 -1.469 -10.238) 10.362 8.912 ( -8.008 -1.228 -5.747) 9.933 9.088 ( 7.304 4.807 -1.881) 8.944 9.164 ( 5.751 3.426 2.906) 7.297 9.718 ( 2.023 -3.585 -2.826) 4.993 9.884 ( -4.880 -1.833 -6.834) 8.595 10.084 ( -0.479 5.130 -2.571) 5.759 10.217 ( -3.629 6.324 0.566) 7.313 10.436 ( -2.272 -5.707 3.428) 7.034 10.542 ( -5.183 -5.304 4.953) 8.918 10.727 ( 0.874 -0.332 -2.272) 2.456 10.876 ( -3.987 5.510 -5.099) 8.500 11.192 ( 2.765 4.066 0.429) 4.936 11.328 ( -2.436 1.368 -1.999) 3.435 12.142 ( 4.455 -10.009 -0.398) 10.963 12.189 ( 1.347 -5.277 3.248) 6.341 12.760 ( 2.906 12.003 -5.017) 13.330 12.833 ( -0.043 9.922 -5.176) 11.191 13.865 ( 4.452 2.457 10.054) 11.267 14.124 ( -8.843 4.565 11.049) 14.870 15.142 ( 4.541 -4.258 -4.637) 7.762 15.265 ( -1.679 -6.557 -7.312) 9.964======================= Grid point 139 (50/140) =======================q-point: (-0.50 0.14 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.157 ( -19.843 2.835 2.081) 20.152 2.157 ( 19.843 2.835 2.081) 20.152 2.462 ( -13.205 9.000 7.012) 17.452 2.462 ( 13.205 9.000 7.012) 17.452 3.105 ( -9.502 -4.604 0.616) 10.576 3.105 ( 9.502 -4.604 0.616) 10.576 4.078 ( -3.005 -1.874 3.832) 5.218 4.078 ( 3.005 -1.874 3.832) 5.218 4.350 ( -17.397 6.443 8.779) 20.524 4.350 ( 17.397 6.443 8.779) 20.524 4.711 ( -18.607 -2.130 6.193) 19.726 4.711 ( 18.607 -2.130 6.193) 19.726 5.194 ( -5.718 -7.736 6.965) 11.877 5.194 ( 5.718 -7.736 6.965) 11.877 5.597 ( -5.911 6.129 2.750) 8.948 5.597 ( 5.911 6.129 2.750) 8.948 6.004 ( -5.465 -8.380 -1.252) 10.083 6.004 ( 5.465 -8.380 -1.252) 10.083 6.383 ( -9.077 2.260 -4.201) 10.254 6.383 ( 9.077 2.260 -4.201) 10.254 6.675 ( -6.689 4.951 0.261) 8.326 6.675 ( 6.689 4.951 0.261) 8.326 7.960 ( -2.755 -13.569 -7.342) 15.673 7.960 ( 2.755 -13.569 -7.342) 15.673 8.419 ( -1.425 5.197 -10.476) 11.781 8.419 ( 1.425 5.197 -10.476) 11.781 8.742 ( -6.552 0.251 -7.667) 10.088 8.742 ( 6.552 0.251 -7.667) 10.088 9.204 ( -2.468 2.618 0.927) 3.716 9.204 ( 2.468 2.618 0.927) 3.716 9.788 ( -4.557 -1.631 -4.012) 6.287 9.788 ( 4.557 -1.631 -4.012) 6.287 10.126 ( -4.445 6.624 -0.339) 7.984 10.126 ( 4.445 6.624 -0.339) 7.984 10.441 ( -3.222 -9.222 5.180) 11.057 10.441 ( 3.222 -9.222 5.180) 11.057 10.794 ( -4.252 4.420 -5.109) 7.982 10.794 ( 4.252 4.420 -5.109) 7.982 11.262 ( -3.841 3.316 -0.213) 5.079 11.262 ( 3.841 3.316 -0.213) 5.079 12.195 ( -0.974 -8.981 1.158) 9.107 12.195 ( 0.974 -8.981 1.158) 9.107 12.812 ( -2.020 11.670 -5.183) 12.928 12.812 ( 2.020 11.670 -5.183) 12.928 13.971 ( -6.470 3.419 10.853) 13.090 13.971 ( 6.470 3.419 10.853) 13.090 15.218 ( -3.093 -5.565 -6.245) 8.918 15.218 ( 3.093 -5.565 -6.245) 8.918======================= Grid point 144 (51/140) =======================q-point: ( 0.00 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.568 ( 0.000 17.094 16.482) 23.746 1.654 ( 0.000 19.022 18.582) 26.592 2.546 ( 0.000 0.841 4.892) 4.963 2.748 ( 0.000 25.384 16.959) 30.528 2.790 ( 0.000 -11.369 10.177) 15.259 3.505 ( 0.000 -6.617 -5.319) 8.490 3.507 ( 0.000 -0.376 9.734) 9.741 3.753 ( 0.000 -3.656 7.709) 8.532 3.900 ( 0.000 -2.653 4.554) 5.271 4.299 ( 0.000 -8.007 1.993) 8.251 4.549 ( 0.000 -8.690 15.086) 17.410 5.121 ( 0.000 -7.301 7.666) 10.586 5.245 ( 0.000 5.603 -6.592) 8.651 5.278 ( 0.000 -12.070 0.424) 12.078 5.688 ( 0.000 -1.341 18.519) 18.568 5.904 ( 0.000 -4.063 -7.638) 8.652 6.226 ( 0.000 4.290 -8.508) 9.528 6.290 ( 0.000 4.635 -9.480) 10.552 6.682 ( 0.000 4.110 -4.108) 5.811 6.832 ( 0.000 1.962 1.461) 2.446 6.950 ( 0.000 -3.139 -2.047) 3.748 7.220 ( 0.000 -6.765 -2.923) 7.369 7.347 ( 0.000 -1.264 2.734) 3.012 7.505 ( 0.000 -0.876 -0.313) 0.930 7.842 ( 0.000 3.472 -0.683) 3.539 8.287 ( 0.000 0.993 -0.798) 1.274 8.351 ( 0.000 -3.178 -7.451) 8.101 8.393 ( 0.000 -5.280 -0.046) 5.280 9.225 ( 0.000 7.042 -10.220) 12.411 9.312 ( 0.000 1.468 -5.938) 6.117 9.712 ( 0.000 -2.011 -4.837) 5.238 9.917 ( 0.000 -7.769 -4.332) 8.895 10.289 ( 0.000 1.734 -6.601) 6.825 10.312 ( 0.000 2.885 -2.469) 3.797 10.412 ( 0.000 5.448 -0.843) 5.513 10.941 ( 0.000 6.181 8.635) 10.619 11.002 ( 0.000 -2.555 4.262) 4.969 11.090 ( 0.000 -12.924 -6.492) 14.463 11.143 ( 0.000 11.088 -6.553) 12.880 11.263 ( 0.000 1.951 -5.582) 5.913 11.748 ( 0.000 1.030 0.493) 1.142 12.313 ( 0.000 11.672 9.092) 14.795 12.594 ( 0.000 -13.193 0.761) 13.215 12.859 ( 0.000 3.578 -6.307) 7.251 13.870 ( 0.000 13.996 4.411) 14.675 14.734 ( 0.000 7.009 -1.768) 7.228 14.883 ( 0.000 -2.692 0.768) 2.800 15.071 ( 0.000 -12.370 -5.699) 13.619======================= Grid point 145 (52/140) =======================q-point: ( 0.12 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.471 ( -1.483 19.702 13.832) 24.118 1.834 ( 11.234 18.768 16.984) 27.693 2.561 ( 1.308 -8.917 1.130) 9.083 2.863 ( 5.661 -10.169 8.739) 14.554 2.929 ( 17.184 28.393 17.728) 37.627 3.395 ( -7.808 -1.250 -1.088) 7.982 3.458 ( -5.152 0.417 9.104) 10.469 3.817 ( 3.281 -7.731 6.204) 10.441 3.934 ( 4.253 -3.176 5.270) 7.480 4.279 ( -1.492 -6.611 1.666) 6.979 4.546 ( -0.151 -6.973 13.952) 15.598 5.027 ( -5.486 -2.032 4.328) 7.277 5.278 ( 0.627 -13.276 0.274) 13.294 5.379 ( 6.930 -0.175 0.301) 6.939 5.620 ( -3.367 1.423 12.102) 12.642 5.907 ( -0.623 -4.439 -4.950) 6.678 6.129 ( -9.412 4.604 -6.249) 12.200 6.235 ( -5.563 3.476 -8.176) 10.482 6.645 ( -8.931 3.371 -3.779) 10.267 6.787 ( -8.654 2.113 0.174) 8.910 6.808 ( -2.140 0.998 2.505) 3.442 7.231 ( 5.441 0.564 -3.237) 6.356 7.362 ( -4.210 -1.671 0.483) 4.555 7.411 ( -2.586 -10.834 -0.709) 11.161 8.051 ( 13.955 2.423 -5.866) 15.330 8.363 ( 3.712 -0.632 -3.225) 4.958 8.436 ( 5.908 -4.060 -2.401) 7.560 8.472 ( 11.947 -3.203 -3.823) 12.946 9.218 ( -0.231 7.219 -9.262) 11.745 9.289 ( -2.467 2.052 -5.256) 6.158 9.681 ( -2.569 -1.772 -4.696) 5.639 9.889 ( -2.584 -7.347 -4.528) 9.009 10.261 ( -2.062 1.545 -2.223) 3.403 10.337 ( -0.665 -1.413 -0.971) 1.839 10.436 ( 4.371 8.763 -6.671) 11.849 10.843 ( -8.766 4.426 10.215) 14.170 10.921 ( -7.735 -0.326 5.265) 9.363 11.074 ( 1.210 -6.321 -10.828) 12.596 11.157 ( -1.715 2.235 -8.126) 8.600 11.301 ( 3.426 4.097 -2.848) 6.053 11.800 ( 4.730 0.154 1.822) 5.071 12.305 ( -0.774 11.657 9.561) 15.096 12.631 ( 3.474 -12.113 1.414) 12.680 12.882 ( 2.032 2.838 -5.669) 6.657 13.890 ( 1.883 13.500 4.391) 14.320 14.657 ( -7.000 8.152 0.255) 10.747 14.908 ( 2.104 -3.815 -0.942) 4.457 15.072 ( 0.116 -12.301 -5.826) 13.611======================= Grid point 146 (53/140) =======================q-point: ( 0.25 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.577 ( 11.925 18.189 6.970) 22.839 2.068 ( 12.065 17.558 14.265) 25.638 2.623 ( 5.289 -10.803 -1.161) 12.084 2.927 ( -0.670 -6.464 3.844) 7.550 3.125 ( -9.212 10.393 4.471) 14.590 3.319 ( -3.639 2.979 8.026) 9.303 3.469 ( 19.712 12.092 12.801) 26.432 3.859 ( 2.662 -6.364 7.497) 10.188 4.043 ( 4.552 -11.115 6.265) 13.547 4.278 ( 2.937 0.209 1.380) 3.252 4.552 ( 0.849 -3.576 11.458) 12.033 4.939 ( -3.452 -3.135 3.790) 6.009 5.236 ( -5.802 -8.011 7.169) 12.216 5.439 ( 2.170 -2.587 7.102) 7.864 5.685 ( 4.800 1.730 -4.469) 6.783 5.840 ( -9.371 -0.787 2.319) 9.685 5.926 ( -3.669 -0.009 -7.205) 8.086 6.077 ( -9.830 0.931 -3.396) 10.442 6.339 ( -16.024 2.350 -1.080) 16.232 6.709 ( -3.546 2.682 -0.857) 4.529 6.789 ( -0.433 4.669 3.103) 5.622 7.125 ( -11.021 1.064 -3.371) 11.574 7.418 ( 7.541 -5.091 -4.241) 10.038 7.495 ( 7.865 -12.157 -2.298) 14.660 8.275 ( 9.186 1.463 -8.753) 12.773 8.401 ( 1.189 -2.277 -5.746) 6.294 8.599 ( 7.446 -1.252 -6.658) 10.067 8.737 ( 12.497 -3.548 -2.893) 13.309 9.217 ( -3.758 4.388 -2.584) 6.329 9.237 ( 1.952 7.717 -7.296) 10.797 9.642 ( -0.673 -1.508 -4.764) 5.042 9.832 ( -2.692 -7.386 -5.168) 9.408 10.210 ( -2.910 2.090 -0.333) 3.598 10.292 ( -2.680 -2.506 1.584) 3.996 10.554 ( 4.213 8.829 -8.392) 12.889 10.640 ( -10.013 0.599 10.898) 14.812 10.736 ( -9.298 -1.135 2.579) 9.716 11.081 ( -3.383 6.702 -6.856) 10.167 11.136 ( 2.742 -6.976 -10.212) 12.667 11.353 ( 1.206 2.439 -4.262) 5.056 11.915 ( 6.435 0.025 3.972) 7.562 12.280 ( -1.841 10.811 10.033) 14.864 12.718 ( 4.935 -9.623 2.602) 11.123 12.923 ( 1.635 1.073 -3.487) 3.998 13.942 ( 3.326 13.021 4.084) 14.046 14.488 ( -9.421 10.210 2.157) 14.059 14.958 ( 2.764 -6.137 -3.028) 7.380 15.074 ( -0.002 -12.055 -6.065) 13.495======================= Grid point 147 (54/140) =======================q-point: ( 0.38 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( 19.194 13.087 2.301) 23.345 2.290 ( 9.006 11.982 9.743) 17.877 2.748 ( 3.250 -7.941 -1.044) 8.643 2.830 ( -9.098 1.865 2.028) 9.506 2.883 ( -7.060 11.683 3.907) 14.198 3.198 ( -8.119 -1.413 7.432) 11.097 3.835 ( 9.463 -5.994 4.325) 12.008 3.993 ( 5.602 -3.579 7.227) 9.819 4.126 ( 12.661 -2.154 8.818) 15.579 4.418 ( 9.425 2.605 3.270) 10.311 4.573 ( 0.969 0.446 9.150) 9.212 4.872 ( -4.648 -5.504 4.863) 8.692 5.106 ( -4.917 -1.415 9.104) 10.444 5.443 ( -18.552 6.266 3.546) 19.900 5.519 ( 4.952 -2.510 6.490) 8.541 5.785 ( -3.284 -2.649 -1.044) 4.347 5.879 ( -6.296 -1.161 -2.116) 6.743 6.035 ( 1.538 -0.536 -3.433) 3.800 6.086 ( -0.707 -3.278 -3.162) 4.609 6.571 ( -10.452 -4.066 -1.985) 11.389 6.802 ( 1.793 9.281 1.111) 9.518 6.948 ( -6.440 8.000 -1.418) 10.367 7.554 ( 6.398 -13.541 -6.586) 16.360 7.643 ( 4.844 -11.821 -4.033) 13.397 8.423 ( 4.655 1.794 -10.377) 11.513 8.460 ( 6.209 1.504 -7.267) 9.676 8.677 ( 0.716 -0.294 -8.064) 8.101 8.854 ( -2.696 -3.678 -6.311) 7.786 9.209 ( 4.560 6.659 0.088) 8.071 9.291 ( 2.585 7.523 -4.272) 9.029 9.669 ( 3.328 -1.400 -5.395) 6.492 9.792 ( -1.484 -6.611 -6.960) 9.713 10.163 ( -0.920 2.441 1.998) 3.286 10.257 ( -0.372 -4.328 4.685) 6.389 10.397 ( -10.954 2.032 6.633) 12.967 10.473 ( -10.539 -1.173 7.164) 12.798 10.752 ( 6.751 4.091 -8.496) 11.597 10.993 ( -5.037 5.934 -7.712) 10.957 11.211 ( 4.228 -3.723 -8.161) 9.917 11.346 ( -1.707 0.065 -5.931) 6.172 12.041 ( 6.027 1.926 5.863) 8.626 12.229 ( -3.293 8.486 9.442) 13.115 12.816 ( 4.721 -6.912 3.122) 8.934 12.935 ( -0.622 -1.410 -0.368) 1.584 14.024 ( 5.031 13.183 3.329) 14.498 14.303 ( -8.854 11.973 2.620) 15.120 15.011 ( 2.421 -8.431 -4.620) 9.914 15.069 ( -0.537 -11.424 -6.092) 12.957======================= Grid point 148 (55/140) =======================q-point: (-0.50 0.29 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.266 ( -14.355 7.532 2.546) 16.410 2.266 ( 14.355 7.532 2.546) 16.410 2.688 ( -4.143 9.504 3.319) 10.886 2.688 ( 4.143 9.504 3.319) 10.886 3.006 ( -10.448 -1.994 4.557) 11.571 3.006 ( 10.448 -1.994 4.557) 11.571 3.958 ( -4.606 -11.241 3.669) 12.690 3.958 ( 4.606 -11.241 3.669) 12.690 4.448 ( -10.155 3.088 4.663) 11.593 4.448 ( 10.155 3.088 4.663) 11.593 4.694 ( -11.995 0.239 8.516) 14.712 4.694 ( 11.995 0.239 8.516) 14.712 5.137 ( -9.258 3.085 7.539) 12.332 5.137 ( 9.258 3.085 7.539) 12.332 5.645 ( -7.539 -2.270 5.908) 9.844 5.645 ( 7.539 -2.270 5.908) 9.844 5.892 ( -5.339 -0.761 -3.928) 6.672 5.892 ( 5.339 -0.761 -3.928) 6.672 6.325 ( -13.501 -6.364 -4.474) 15.582 6.325 ( 13.501 -6.364 -4.474) 15.582 6.855 ( -3.464 10.695 0.243) 11.245 6.855 ( 3.464 10.695 0.243) 11.245 7.656 ( -3.079 -14.612 -6.172) 16.158 7.656 ( 3.079 -14.612 -6.172) 16.158 8.511 ( -3.152 3.922 -9.263) 10.541 8.511 ( 3.152 3.922 -9.263) 10.541 8.727 ( -6.647 -1.744 -7.354) 10.065 8.727 ( 6.647 -1.744 -7.354) 10.065 9.300 ( -2.412 6.415 -1.797) 7.085 9.300 ( 2.412 6.415 -1.797) 7.085 9.747 ( -3.555 -3.132 -7.320) 8.720 9.747 ( 3.555 -3.132 -7.320) 8.720 10.210 ( -6.036 0.117 5.204) 7.970 10.210 ( 6.036 0.117 5.204) 7.970 10.307 ( -5.132 -2.378 7.431) 9.338 10.307 ( 5.132 -2.378 7.431) 9.338 10.883 ( -6.107 5.141 -8.417) 11.600 10.883 ( 6.107 5.141 -8.417) 11.600 11.292 ( -3.616 -1.822 -7.053) 8.132 11.292 ( 3.616 -1.822 -7.053) 8.132 12.149 ( -4.777 5.142 7.816) 10.504 12.149 ( 4.777 5.142 7.816) 10.504 12.897 ( -3.137 -4.206 2.167) 5.677 12.897 ( 3.137 -4.206 2.167) 5.677 14.144 ( -7.064 13.044 2.731) 15.083 14.144 ( 7.064 13.044 2.731) 15.083 15.050 ( -1.472 -10.229 -5.643) 11.774 15.050 ( 1.472 -10.229 -5.643) 11.774======================= Grid point 153 (56/140) =======================q-point: ( 0.00 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.939 ( 0.000 17.297 9.394) 19.684 2.061 ( 0.000 17.539 13.011) 21.838 2.320 ( 0.000 -12.451 6.186) 13.903 2.491 ( 0.000 -16.697 12.451) 20.828 3.344 ( 0.000 9.410 6.222) 11.281 3.388 ( 0.000 -3.153 -2.295) 3.900 3.540 ( 0.000 15.419 7.025) 16.944 3.813 ( 0.000 9.027 10.590) 13.915 3.819 ( 0.000 -6.555 6.950) 9.553 4.087 ( 0.000 -12.509 5.288) 13.581 4.478 ( 0.000 2.949 10.405) 10.815 4.734 ( 0.000 -20.429 6.588) 21.465 5.277 ( 0.000 4.371 7.179) 8.405 5.329 ( 0.000 0.849 0.575) 1.025 5.693 ( 0.000 2.681 8.473) 8.887 5.794 ( 0.000 -5.821 -3.150) 6.619 6.308 ( 0.000 2.835 -10.350) 10.731 6.337 ( 0.000 0.155 -10.239) 10.240 6.804 ( 0.000 5.829 -2.001) 6.163 6.877 ( 0.000 3.698 -0.721) 3.768 6.882 ( 0.000 -3.022 0.074) 3.023 7.032 ( 0.000 -9.442 -3.331) 10.013 7.347 ( 0.000 1.581 1.299) 2.046 7.416 ( 0.000 -4.757 0.257) 4.764 8.023 ( 0.000 10.262 -1.909) 10.438 8.221 ( 0.000 -7.902 -0.243) 7.906 8.326 ( 0.000 0.094 -4.556) 4.557 8.330 ( 0.000 -0.181 -2.660) 2.667 9.326 ( 0.000 2.625 -7.891) 8.316 9.342 ( 0.000 0.801 -6.993) 7.039 9.709 ( 0.000 1.776 -4.447) 4.789 9.783 ( 0.000 -5.056 -4.590) 6.828 10.311 ( 0.000 1.025 -2.384) 2.595 10.332 ( 0.000 -0.566 -0.395) 0.690 10.571 ( 0.000 9.128 -6.229) 11.051 10.792 ( 0.000 -11.888 -10.753) 16.030 11.014 ( 0.000 1.384 6.854) 6.992 11.019 ( 0.000 0.392 7.700) 7.710 11.315 ( 0.000 2.408 -7.485) 7.863 11.323 ( 0.000 3.418 -9.825) 10.402 11.883 ( 0.000 13.142 3.253) 13.538 12.242 ( 0.000 -18.603 1.990) 18.709 12.579 ( 0.000 12.784 8.588) 15.400 12.809 ( 0.000 -7.815 3.288) 8.478 14.233 ( 0.000 19.623 -2.051) 19.730 14.647 ( 0.000 -18.302 -6.161) 19.311 14.854 ( 0.000 4.298 -1.511) 4.556 14.923 ( 0.000 -2.804 0.706) 2.892======================= Grid point 154 (57/140) =======================q-point: ( 0.12 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( -0.251 19.658 7.858) 21.172 2.203 ( 9.630 9.383 9.769) 16.620 2.307 ( 0.870 -7.373 7.283) 10.400 2.589 ( 7.621 -15.169 10.325) 19.869 3.332 ( -0.699 3.447 0.744) 3.595 3.417 ( -0.056 -4.353 2.020) 4.799 3.602 ( 6.974 20.322 8.896) 23.254 3.786 ( -1.673 8.028 9.463) 12.522 3.833 ( 0.498 -5.489 9.022) 10.572 4.104 ( 2.946 -11.464 4.454) 12.646 4.489 ( 1.112 2.898 9.751) 10.233 4.730 ( -0.317 -18.893 6.520) 19.989 5.265 ( -0.648 6.010 6.509) 8.883 5.365 ( 1.986 -2.436 5.891) 6.676 5.673 ( -0.577 4.046 3.566) 5.424 5.787 ( -0.725 -6.280 -3.353) 7.156 6.218 ( -8.846 3.338 -8.473) 12.696 6.261 ( -7.572 -0.660 -8.721) 11.568 6.731 ( -11.109 3.595 -1.896) 11.829 6.775 ( -5.720 -1.085 1.118) 5.928 6.886 ( 1.396 5.887 -1.971) 6.363 7.077 ( 2.977 -11.302 -3.861) 12.309 7.319 ( -0.951 0.837 1.597) 2.038 7.346 ( -4.306 -1.441 1.346) 4.736 8.144 ( 8.678 6.066 -5.600) 11.977 8.283 ( 3.166 -6.479 -4.231) 8.360 8.409 ( 9.233 1.087 -3.042) 9.781 8.435 ( 10.342 -1.199 -2.602) 10.731 9.320 ( -0.290 2.535 -7.016) 7.466 9.331 ( -0.832 1.312 -6.377) 6.564 9.685 ( -2.076 2.078 -4.814) 5.639 9.760 ( -2.257 -4.880 -4.396) 6.945 10.272 ( -2.964 0.605 0.229) 3.033 10.302 ( -3.112 -1.911 0.511) 3.688 10.627 ( 5.015 9.406 -8.390) 13.565 10.835 ( 3.095 -10.161 -10.347) 14.829 10.907 ( -9.238 2.082 7.026) 11.792 10.936 ( -7.142 -0.905 4.861) 8.686 11.283 ( -1.966 5.419 -8.007) 9.866 11.357 ( 1.007 -0.712 -7.887) 7.983 11.937 ( 5.099 13.426 4.226) 14.971 12.292 ( 4.780 -18.220 2.836) 19.049 12.576 ( -0.455 13.143 9.108) 15.997 12.816 ( 0.533 -8.464 4.004) 9.378 14.249 ( 1.658 19.551 -2.259) 19.751 14.660 ( 1.324 -18.128 -6.189) 19.201 14.809 ( -4.266 5.873 -1.235) 7.363 14.910 ( -1.254 -4.199 -0.012) 4.382======================= Grid point 155 (58/140) =======================q-point: ( 0.25 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.975 ( 8.368 18.798 3.721) 20.910 2.342 ( 5.741 -15.486 1.104) 16.553 2.429 ( 9.344 16.019 11.311) 21.722 2.730 ( 5.375 -12.039 6.573) 14.731 3.310 ( -2.443 6.497 1.007) 7.014 3.358 ( -4.551 2.170 4.785) 6.951 3.657 ( -2.536 -1.091 7.351) 7.853 3.755 ( -3.910 -9.926 5.900) 12.191 3.966 ( 16.002 16.298 11.412) 25.533 4.237 ( 9.959 -6.123 4.823) 12.647 4.524 ( 2.346 2.731 8.437) 9.173 4.725 ( -0.169 -14.694 6.573) 16.098 5.238 ( -2.598 6.610 8.514) 11.087 5.375 ( -0.246 -4.812 11.776) 12.724 5.725 ( 5.546 1.930 -3.967) 7.087 5.779 ( 0.401 -3.396 -4.449) 5.612 5.977 ( -14.275 3.675 -4.862) 15.522 6.048 ( -13.286 -2.755 -4.602) 14.328 6.456 ( -14.307 7.867 -1.068) 16.362 6.631 ( -9.873 -7.626 0.187) 12.477 6.935 ( 3.381 8.123 -2.322) 9.100 7.111 ( 1.366 -6.660 -4.493) 8.150 7.290 ( -1.131 0.270 0.662) 1.338 7.361 ( 3.525 -4.279 0.757) 5.595 8.304 ( 7.842 1.627 -8.606) 11.756 8.349 ( 4.138 -2.525 -7.301) 8.763 8.611 ( 8.846 2.070 -5.444) 10.591 8.669 ( 10.504 -3.062 -4.282) 11.749 9.312 ( 0.033 3.996 -3.264) 5.160 9.344 ( 2.588 1.816 -6.503) 7.231 9.645 ( -1.506 1.456 -6.051) 6.404 9.702 ( -3.083 -4.420 -4.065) 6.750 10.212 ( -2.830 -0.660 3.554) 4.591 10.228 ( -3.766 -2.442 3.429) 5.648 10.667 ( -10.477 2.351 5.232) 11.944 10.705 ( -11.608 -0.008 2.995) 11.988 10.768 ( 4.200 7.853 -7.344) 11.543 10.956 ( 5.624 -9.060 -10.456) 14.935 11.227 ( -3.694 6.797 -8.300) 11.347 11.347 ( -1.964 -3.748 -8.148) 9.181 12.068 ( 7.667 13.761 6.217) 16.935 12.414 ( 6.958 -17.065 4.821) 19.049 12.553 ( -2.111 13.723 10.086) 17.161 12.817 ( -0.774 -10.095 5.741) 11.639 14.298 ( 3.155 19.224 -2.733) 19.672 14.696 ( 2.216 -17.562 -6.208) 18.758 14.702 ( -6.081 9.473 -1.243) 11.325 14.877 ( -1.934 -7.423 -1.511) 7.818======================= Grid point 156 (59/140) =======================q-point: ( 0.38 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.202 ( 13.511 14.757 1.127) 20.040 2.481 ( 7.302 -6.680 1.517) 10.011 2.573 ( 3.772 5.132 5.676) 8.531 2.767 ( -2.065 -7.757 2.748) 8.484 3.206 ( -4.697 16.641 4.486) 17.864 3.298 ( -3.403 9.954 6.697) 12.470 3.599 ( -1.637 -13.006 5.697) 14.293 3.679 ( -3.304 -17.921 4.629) 18.802 4.314 ( 16.452 11.074 7.739) 21.288 4.455 ( 10.643 -1.133 5.390) 11.983 4.572 ( 2.016 1.947 7.078) 7.613 4.717 ( -1.154 -9.338 6.936) 11.689 5.189 ( -0.407 8.664 9.190) 12.636 5.393 ( 2.782 -9.063 10.585) 14.210 5.611 ( -17.134 8.391 2.190) 19.203 5.760 ( -13.365 -3.749 -0.066) 13.881 5.831 ( 4.421 1.510 -5.324) 7.083 5.934 ( 9.472 -6.030 -5.346) 12.436 6.190 ( -12.294 8.986 -1.761) 15.329 6.402 ( -12.436 -10.205 -1.675) 16.174 7.013 ( 4.273 10.277 -2.169) 11.339 7.136 ( 0.042 6.811 -2.049) 7.113 7.292 ( 1.961 -8.632 -3.055) 9.365 7.404 ( -0.035 -10.782 -1.797) 10.930 8.456 ( 7.080 1.287 -9.026) 11.543 8.474 ( 8.740 -0.212 -8.346) 12.087 8.699 ( -0.416 2.520 -7.353) 7.784 8.771 ( -1.014 -3.959 -6.958) 8.069 9.360 ( 5.027 7.084 -1.824) 8.876 9.428 ( 4.969 3.295 -6.445) 8.780 9.626 ( -0.917 -2.489 -6.613) 7.126 9.659 ( -0.906 -4.518 -5.774) 7.388 10.174 ( -0.747 -1.483 7.663) 7.841 10.179 ( -0.079 -1.255 6.162) 6.289 10.425 ( -11.774 1.311 8.564) 14.618 10.457 ( -12.235 -1.179 5.909) 13.638 10.896 ( 6.769 8.412 -11.069) 15.463 11.072 ( 5.707 -7.570 -10.800) 14.371 11.140 ( -4.842 6.955 -9.572) 12.785 11.285 ( -4.129 -5.738 -9.240) 11.634 12.225 ( 7.876 14.044 8.253) 18.094 12.484 ( -4.419 13.949 10.462) 17.987 12.558 ( 6.877 -15.397 6.822) 18.191 12.777 ( -3.352 -12.105 7.349) 14.553 14.373 ( 4.349 18.271 -3.041) 19.026 14.580 ( -5.982 13.239 -2.028) 14.668 14.744 ( 2.500 -16.210 -5.731) 17.374 14.837 ( -2.128 -11.008 -3.261) 11.677======================= Grid point 157 (60/140) =======================q-point: (-0.50 0.43 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.459 ( -10.398 10.235 2.045) 14.733 2.459 ( 10.398 10.235 2.045) 14.733 2.668 ( -6.826 -8.529 0.774) 10.951 2.668 ( 6.826 -8.529 0.774) 10.951 3.207 ( -4.201 17.980 7.006) 19.749 3.207 ( 4.201 17.980 7.006) 19.749 3.617 ( -2.748 -19.372 4.889) 20.167 3.617 ( 2.748 -19.372 4.889) 20.167 4.536 ( -4.835 5.340 4.836) 8.676 4.536 ( 4.835 5.340 4.836) 8.676 4.649 ( -6.003 -4.581 7.116) 10.376 4.649 ( 6.003 -4.581 7.116) 10.376 5.299 ( -12.098 10.463 6.938) 17.435 5.299 ( 12.098 10.463 6.938) 17.435 5.515 ( -9.727 -9.064 6.219) 14.678 5.515 ( 9.727 -9.064 6.219) 14.678 5.973 ( -9.224 7.319 -3.728) 12.351 5.973 ( 9.224 7.319 -3.728) 12.351 6.156 ( -12.064 -9.079 -3.733) 15.553 6.156 ( 12.064 -9.079 -3.733) 15.553 7.095 ( -3.651 11.964 -1.599) 12.610 7.095 ( 3.651 11.964 -1.599) 12.610 7.360 ( -3.786 -13.322 -3.953) 14.403 7.360 ( 3.786 -13.322 -3.953) 14.403 8.594 ( -4.257 3.912 -8.433) 10.225 8.594 ( 4.257 3.912 -8.433) 10.225 8.672 ( -5.693 -3.352 -7.714) 10.157 8.672 ( 5.693 -3.352 -7.714) 10.157 9.461 ( -3.101 8.393 -4.597) 10.060 9.461 ( 3.101 8.393 -4.597) 10.060 9.633 ( -2.021 -7.410 -7.275) 10.579 9.633 ( 2.021 -7.410 -7.275) 10.579 10.214 ( -2.295 1.663 9.110) 9.541 10.214 ( 2.295 1.663 9.110) 9.541 10.267 ( -2.968 -2.598 7.928) 8.855 10.267 ( 2.968 -2.598 7.928) 8.855 11.025 ( -6.117 7.892 -10.541) 14.519 11.025 ( 6.117 7.892 -10.541) 14.519 11.189 ( -5.371 -7.078 -10.387) 13.669 11.189 ( 5.371 -7.078 -10.387) 13.669 12.372 ( -6.691 14.304 9.847) 18.610 12.372 ( 6.691 14.304 9.847) 18.610 12.685 ( -5.705 -14.041 7.767) 17.030 12.685 ( 5.705 -14.041 7.767) 17.030 14.468 ( -5.242 16.310 -2.787) 17.357 14.468 ( 5.242 16.310 -2.787) 17.357 14.793 ( -2.334 -14.044 -4.770) 15.015 14.793 ( 2.334 -14.044 -4.770) 15.015======================= Grid point 189 (61/140) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 0.000 0.000 25.231) 25.231 1.651 ( 0.000 0.000 26.037) 26.037 2.321 ( 0.000 0.000 27.148) 27.148 3.028 ( 0.000 0.000 14.671) 14.671 3.172 ( 0.000 0.000 6.010) 6.010 3.443 ( 0.000 0.000 -6.985) 6.985 3.715 ( 0.000 0.000 8.066) 8.066 4.074 ( 0.000 0.000 8.819) 8.819 4.233 ( 0.000 0.000 8.678) 8.678 4.414 ( 0.000 0.000 -4.426) 4.426 4.935 ( 0.000 0.000 -8.797) 8.797 4.959 ( 0.000 0.000 -4.288) 4.288 5.289 ( 0.000 0.000 3.432) 3.432 5.435 ( 0.000 0.000 -10.826) 10.826 5.802 ( 0.000 0.000 -7.701) 7.701 5.987 ( 0.000 0.000 8.412) 8.412 6.003 ( 0.000 0.000 -6.631) 6.631 6.405 ( 0.000 0.000 5.054) 5.054 6.647 ( 0.000 0.000 -2.786) 2.786 6.689 ( 0.000 0.000 -0.755) 0.755 6.762 ( 0.000 0.000 -3.433) 3.433 7.219 ( 0.000 0.000 10.829) 10.829 7.507 ( 0.000 0.000 6.287) 6.287 7.509 ( 0.000 0.000 5.016) 5.016 8.007 ( 0.000 0.000 -20.472) 20.472 8.227 ( 0.000 0.000 -0.014) 0.014 8.484 ( 0.000 0.000 -3.098) 3.098 8.520 ( 0.000 0.000 -0.251) 0.251 8.556 ( 0.000 0.000 -8.529) 8.529 9.173 ( 0.000 0.000 -8.043) 8.043 9.709 ( 0.000 0.000 -7.361) 7.361 10.005 ( 0.000 0.000 -7.849) 7.849 10.040 ( 0.000 0.000 -4.925) 4.925 10.123 ( 0.000 0.000 -6.760) 6.760 10.356 ( 0.000 0.000 -0.946) 0.946 10.807 ( 0.000 0.000 7.892) 7.892 10.988 ( 0.000 0.000 3.962) 3.962 10.996 ( 0.000 0.000 -7.616) 7.616 11.212 ( 0.000 0.000 -18.846) 18.846 11.330 ( 0.000 0.000 2.629) 2.629 11.769 ( 0.000 0.000 0.978) 0.978 12.162 ( 0.000 0.000 6.707) 6.707 12.512 ( 0.000 0.000 -2.830) 2.830 12.625 ( 0.000 0.000 0.737) 0.737 13.695 ( 0.000 0.000 8.663) 8.663 14.725 ( 0.000 0.000 10.625) 10.625 14.987 ( 0.000 0.000 3.362) 3.362 15.188 ( 0.000 0.000 -10.544) 10.544======================= Grid point 190 (62/140) =======================q-point: ( 0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.459 ( -10.292 0.000 26.151) 28.104 1.673 ( 8.617 0.000 23.404) 24.940 2.639 ( 20.863 0.000 16.049) 26.322 2.975 ( 0.937 0.000 16.838) 16.864 3.221 ( -0.521 0.000 7.361) 7.379 3.356 ( -8.311 0.000 -4.359) 9.385 3.711 ( 0.927 0.000 7.853) 7.907 4.068 ( -0.407 0.000 6.186) 6.199 4.209 ( -1.244 0.000 8.452) 8.543 4.415 ( -0.845 0.000 -0.876) 1.217 4.913 ( 0.021 0.000 -7.281) 7.281 4.951 ( -1.086 0.000 0.262) 1.118 5.419 ( 11.242 0.000 -0.615) 11.259 5.440 ( 0.524 0.000 -10.211) 10.224 5.767 ( -3.496 0.000 -7.541) 8.312 5.835 ( -10.429 0.000 3.458) 10.987 6.039 ( -0.582 0.000 1.537) 1.644 6.406 ( -17.916 0.000 5.386) 18.709 6.411 ( 0.576 0.000 4.656) 4.691 6.646 ( -3.934 0.000 -0.368) 3.951 6.810 ( -6.746 0.000 -4.686) 8.214 7.083 ( 6.065 0.000 5.584) 8.244 7.427 ( -9.823 0.000 3.736) 10.509 7.804 ( 15.909 0.000 3.160) 16.220 7.873 ( -4.077 0.000 -14.253) 14.824 8.343 ( -1.503 0.000 -14.665) 14.741 8.485 ( 10.175 0.000 3.381) 10.722 8.558 ( 0.194 0.000 -9.692) 9.694 8.706 ( 13.379 0.000 1.645) 13.480 9.154 ( -2.562 0.000 -6.767) 7.236 9.703 ( -0.431 0.000 -6.635) 6.649 9.977 ( -2.608 0.000 -7.326) 7.777 9.996 ( -3.499 0.000 -5.720) 6.706 10.146 ( 1.421 0.000 -5.236) 5.425 10.361 ( 0.715 0.000 -1.719) 1.862 10.785 ( -2.104 0.000 7.976) 8.249 10.845 ( -7.661 0.000 -4.658) 8.966 11.089 ( 2.092 0.000 -0.506) 2.152 11.206 ( 1.403 0.000 -14.831) 14.898 11.264 ( -6.318 0.000 3.730) 7.337 11.852 ( 7.150 0.000 -1.141) 7.241 12.197 ( 3.341 0.000 5.687) 6.596 12.516 ( 0.337 0.000 -3.559) 3.575 12.615 ( -1.026 0.000 0.740) 1.265 13.771 ( 6.776 0.000 7.705) 10.261 14.666 ( -5.623 0.000 11.173) 12.508 15.002 ( 1.500 0.000 2.114) 2.592 15.187 ( -0.100 0.000 -10.440) 10.440======================= Grid point 191 (63/140) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( 7.352 0.000 18.308) 19.729 1.905 ( 14.106 0.000 19.227) 23.846 2.821 ( 2.979 0.000 -1.714) 3.437 3.021 ( -13.201 0.000 8.977) 15.965 3.139 ( -12.981 0.000 0.572) 12.993 3.296 ( 15.490 0.000 13.274) 20.399 3.770 ( 6.578 0.000 12.932) 14.509 4.066 ( 0.387 0.000 3.396) 3.418 4.263 ( 8.227 0.000 9.119) 12.281 4.358 ( -4.651 0.000 3.690) 5.937 4.905 ( -3.691 0.000 7.649) 8.493 4.980 ( 6.400 0.000 -7.099) 9.558 5.446 ( -1.095 0.000 -8.712) 8.781 5.599 ( -12.131 0.000 6.833) 13.923 5.666 ( -6.192 0.000 -7.390) 9.641 5.682 ( 14.234 0.000 -4.196) 14.840 5.973 ( -8.763 0.000 10.758) 13.876 6.084 ( -8.957 0.000 3.475) 9.607 6.427 ( 0.985 0.000 3.419) 3.558 6.554 ( -4.805 0.000 0.670) 4.852 6.606 ( -11.302 0.000 0.042) 11.302 7.147 ( -16.360 0.000 -1.551) 16.433 7.360 ( 17.550 0.000 -3.895) 17.977 7.886 ( 3.553 0.000 -11.654) 12.183 8.036 ( 7.990 0.000 -0.622) 8.015 8.268 ( -4.441 0.000 -12.358) 13.131 8.555 ( -0.815 0.000 -9.447) 9.483 8.728 ( 12.810 0.000 -1.570) 12.906 8.997 ( 14.221 0.000 2.935) 14.521 9.048 ( -8.199 0.000 -4.350) 9.281 9.698 ( 0.087 0.000 -5.249) 5.250 9.910 ( -3.968 0.000 -5.832) 7.054 9.926 ( -2.937 0.000 -5.180) 5.954 10.161 ( -0.254 0.000 -3.251) 3.261 10.394 ( 2.694 0.000 -3.922) 4.758 10.709 ( -5.761 0.000 -7.734) 9.644 10.734 ( -2.653 0.000 8.077) 8.502 11.099 ( -9.733 0.000 5.761) 11.310 11.107 ( 1.206 0.000 -0.866) 1.485 11.258 ( 2.173 0.000 -8.890) 9.152 12.018 ( 9.198 0.000 -3.429) 9.817 12.280 ( 4.693 0.000 3.820) 6.051 12.515 ( -0.782 0.000 -4.899) 4.961 12.584 ( -2.070 0.000 0.779) 2.212 13.920 ( 7.379 0.000 7.669) 10.642 14.521 ( -8.506 0.000 12.095) 14.787 15.043 ( 2.549 0.000 -1.085) 2.771 15.183 ( -0.392 0.000 -10.043) 10.051======================= Grid point 192 (64/140) =======================q-point: ( 0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.717 ( 20.751 0.000 8.312) 22.353 2.211 ( 16.313 0.000 14.532) 21.847 2.649 ( -22.073 0.000 3.949) 22.424 2.856 ( -15.299 0.000 5.413) 16.229 2.924 ( 7.680 0.000 -4.028) 8.672 3.337 ( -8.532 0.000 -0.374) 8.540 4.091 ( 2.219 0.000 3.035) 3.759 4.111 ( 23.711 0.000 20.038) 31.044 4.253 ( -5.422 0.000 4.703) 7.177 4.511 ( 15.222 0.000 9.585) 17.988 4.795 ( -7.857 0.000 10.715) 13.287 5.141 ( 9.203 0.000 -6.557) 11.299 5.237 ( -17.497 0.000 1.825) 17.592 5.514 ( -8.665 0.000 -6.570) 10.874 5.515 ( 1.527 0.000 5.934) 6.127 5.743 ( -10.413 0.000 11.307) 15.371 5.979 ( 14.864 0.000 -5.285) 15.775 6.058 ( 3.003 0.000 3.308) 4.468 6.378 ( -11.323 0.000 1.525) 11.426 6.410 ( -4.781 0.000 1.053) 4.895 6.501 ( 1.503 0.000 1.386) 2.045 6.829 ( -14.812 0.000 -4.607) 15.512 7.718 ( 17.557 0.000 -7.001) 18.901 7.974 ( 4.893 0.000 -11.706) 12.688 8.131 ( 0.636 0.000 -5.458) 5.494 8.175 ( -4.938 0.000 -12.339) 13.290 8.538 ( 0.530 0.000 -5.739) 5.764 8.846 ( -11.391 0.000 -2.806) 11.732 8.978 ( 11.934 0.000 -2.084) 12.114 9.203 ( 4.904 0.000 0.508) 4.930 9.712 ( 1.392 0.000 -4.085) 4.316 9.828 ( -4.111 0.000 -4.284) 5.937 9.912 ( 2.404 0.000 -2.255) 3.296 10.125 ( -3.667 0.000 -1.175) 3.851 10.462 ( 3.886 0.000 -6.273) 7.379 10.614 ( -4.022 0.000 -8.630) 9.521 10.701 ( -0.032 0.000 7.942) 7.942 10.902 ( -9.428 0.000 7.247) 11.892 11.151 ( 3.106 0.000 -1.214) 3.335 11.267 ( -1.230 0.000 -5.496) 5.632 12.205 ( 9.269 0.000 -5.308) 10.681 12.375 ( 4.666 0.000 2.315) 5.209 12.474 ( -3.535 0.000 -5.975) 6.942 12.533 ( -3.099 0.000 0.947) 3.240 14.056 ( 6.518 0.000 9.492) 11.515 14.347 ( -8.569 0.000 12.306) 14.995 15.096 ( 2.608 0.000 -4.635) 5.318 15.170 ( -0.998 0.000 -9.115) 9.169======================= Grid point 193 (65/140) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.179 ( -24.497 0.000 3.556) 24.754 2.179 ( 24.497 0.000 3.556) 24.754 2.539 ( -16.420 0.000 9.967) 19.209 2.539 ( 16.420 0.000 9.967) 19.209 3.120 ( -11.461 0.000 -3.415) 11.959 3.120 ( 11.461 0.000 -3.415) 11.959 4.155 ( -4.201 0.000 3.937) 5.757 4.155 ( 4.201 0.000 3.937) 5.757 4.537 ( -16.952 0.000 15.387) 22.894 4.537 ( 16.952 0.000 15.387) 22.894 4.866 ( -18.403 0.000 6.636) 19.563 4.866 ( 18.403 0.000 6.636) 19.563 5.330 ( -9.628 0.000 -6.272) 11.491 5.330 ( 9.628 0.000 -6.272) 11.491 5.585 ( -5.625 0.000 9.329) 10.894 5.585 ( 5.625 0.000 9.329) 10.894 6.176 ( -8.505 0.000 2.572) 8.886 6.176 ( 8.505 0.000 2.572) 8.886 6.248 ( -11.425 0.000 -2.126) 11.621 6.248 ( 11.425 0.000 -2.126) 11.621 6.595 ( -8.051 0.000 -2.514) 8.434 6.595 ( 8.051 0.000 -2.514) 8.434 8.018 ( -11.581 0.000 -8.196) 14.188 8.018 ( 11.581 0.000 -8.196) 14.188 8.074 ( -5.141 0.000 -12.181) 13.221 8.074 ( 5.141 0.000 -12.181) 13.221 8.633 ( -8.886 0.000 -2.676) 9.280 8.633 ( 8.886 0.000 -2.676) 9.280 9.174 ( -6.838 0.000 -1.933) 7.106 9.174 ( 6.838 0.000 -1.933) 7.106 9.756 ( -2.983 0.000 -3.663) 4.724 9.756 ( 2.983 0.000 -3.663) 4.724 10.016 ( -6.660 0.000 -0.050) 6.660 10.016 ( 6.660 0.000 -0.050) 6.660 10.539 ( -3.751 0.000 -7.889) 8.735 10.539 ( 3.751 0.000 -7.889) 8.735 10.751 ( -5.265 0.000 7.753) 9.372 10.751 ( 5.265 0.000 7.753) 9.372 11.219 ( -3.294 0.000 -2.883) 4.378 11.219 ( 3.294 0.000 -2.883) 4.378 12.370 ( -6.972 0.000 -6.242) 9.358 12.370 ( 6.972 0.000 -6.242) 9.358 12.462 ( -4.018 0.000 1.398) 4.255 12.462 ( 4.018 0.000 1.398) 4.255 14.190 ( -7.241 0.000 11.382) 13.490 14.190 ( 7.241 0.000 11.382) 13.490 15.141 ( -1.872 0.000 -7.375) 7.609 15.141 ( 1.872 0.000 -7.375) 7.609======================= Grid point 198 (66/140) =======================q-point: ( 0.00 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( 0.000 6.449 23.707) 24.569 1.722 ( 0.000 11.468 21.937) 24.754 2.493 ( 0.000 14.716 20.760) 25.447 2.972 ( 0.000 -3.832 16.469) 16.909 3.120 ( 0.000 -4.514 6.471) 7.890 3.462 ( 0.000 0.416 -5.905) 5.919 3.703 ( 0.000 -0.014 8.384) 8.384 4.043 ( 0.000 -4.627 10.507) 11.481 4.091 ( 0.000 -8.498 4.313) 9.530 4.437 ( 0.000 -1.181 0.143) 1.190 4.821 ( 0.000 -2.367 -6.868) 7.264 5.070 ( 0.000 2.503 -1.179) 2.767 5.267 ( 0.000 0.123 6.288) 6.290 5.460 ( 0.000 -2.083 -6.579) 6.901 5.754 ( 0.000 -2.974 -10.874) 11.273 5.945 ( 0.000 -2.789 4.720) 5.483 6.026 ( 0.000 2.310 -7.592) 7.936 6.266 ( 0.000 -7.628 7.018) 10.365 6.588 ( 0.000 -2.077 -3.469) 4.043 6.781 ( 0.000 5.166 0.472) 5.188 6.889 ( 0.000 5.859 -3.882) 7.028 7.249 ( 0.000 1.933 7.211) 7.466 7.474 ( 0.000 -2.846 5.426) 6.127 7.493 ( 0.000 -0.912 3.761) 3.870 7.909 ( 0.000 -8.086 -13.890) 16.072 8.249 ( 0.000 1.783 0.272) 1.804 8.262 ( 0.000 -7.487 -5.773) 9.454 8.486 ( 0.000 -3.133 -0.237) 3.142 8.821 ( 0.000 12.579 -8.125) 14.975 9.186 ( 0.000 1.135 -6.693) 6.789 9.631 ( 0.000 -5.637 -9.114) 10.717 9.964 ( 0.000 -6.970 -8.465) 10.965 10.078 ( 0.000 2.591 -6.579) 7.071 10.127 ( 0.000 4.538 -4.945) 6.712 10.394 ( 0.000 2.920 1.988) 3.532 10.866 ( 0.000 6.013 3.674) 7.047 11.010 ( 0.000 -6.832 -10.632) 12.638 11.031 ( 0.000 3.301 5.027) 6.014 11.068 ( 0.000 -1.695 -12.096) 12.214 11.352 ( 0.000 -1.567 5.287) 5.515 11.751 ( 0.000 -0.965 0.716) 1.202 12.260 ( 0.000 8.611 7.880) 11.672 12.533 ( 0.000 6.097 -5.968) 8.532 12.738 ( 0.000 2.851 -0.147) 2.855 13.750 ( 0.000 5.943 6.298) 8.659 14.726 ( 0.000 0.354 8.587) 8.594 14.965 ( 0.000 -2.586 0.918) 2.744 15.120 ( 0.000 -5.835 -8.469) 10.284======================= Grid point 199 (67/140) =======================q-point: ( 0.12 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( -8.268 7.958 23.042) 25.741 1.840 ( 7.889 13.768 20.780) 26.146 2.681 ( 8.925 1.124 6.753) 11.248 3.004 ( 10.276 5.802 22.913) 25.773 3.183 ( 1.710 -4.010 7.989) 9.101 3.369 ( -8.068 0.584 -3.179) 8.692 3.648 ( -3.829 -3.065 6.969) 8.522 4.095 ( 5.389 -0.927 7.690) 9.436 4.120 ( 1.391 -5.943 7.849) 9.943 4.408 ( -2.323 -2.837 -0.373) 3.686 4.784 ( -2.904 -2.646 -4.130) 5.700 5.046 ( -1.241 1.996 2.780) 3.640 5.373 ( 7.937 -1.375 0.116) 8.056 5.484 ( 2.994 -2.240 -5.103) 6.326 5.713 ( -4.089 -2.900 -8.179) 9.593 5.856 ( -7.720 1.568 1.090) 7.952 6.020 ( -1.322 -1.100 -2.378) 2.935 6.198 ( -6.320 -6.058 6.935) 11.168 6.570 ( -4.890 -0.688 -1.970) 5.317 6.690 ( -7.388 7.059 1.209) 10.289 6.845 ( -6.315 2.520 0.047) 6.800 7.113 ( 2.491 2.883 2.557) 4.589 7.417 ( -8.533 -0.876 2.815) 9.028 7.636 ( 3.403 -12.012 -2.855) 12.807 7.918 ( 7.371 1.375 -7.693) 10.742 8.290 ( 3.038 -2.816 -9.337) 10.215 8.461 ( 11.110 -1.769 2.636) 11.554 8.488 ( 3.798 -3.928 -5.099) 7.473 8.862 ( 4.634 9.963 -5.287) 12.193 9.166 ( -2.404 1.189 -5.638) 6.244 9.624 ( -0.566 -5.802 -7.921) 9.835 9.907 ( -4.337 -5.664 -8.196) 10.865 10.092 ( -0.757 5.792 -4.929) 7.643 10.157 ( 3.820 2.518 -6.477) 7.930 10.377 ( -1.352 1.510 1.455) 2.495 10.832 ( -3.370 4.410 0.708) 5.595 10.908 ( -7.428 4.729 0.862) 8.848 11.033 ( 0.945 -10.806 -12.323) 16.417 11.099 ( -0.469 0.705 0.120) 0.855 11.299 ( -3.205 -0.378 2.617) 4.155 11.849 ( 7.964 -1.117 0.721) 8.074 12.264 ( 0.398 7.379 7.514) 10.539 12.553 ( 1.859 7.248 -5.894) 9.526 12.750 ( 1.014 4.568 -0.382) 4.695 13.804 ( 4.924 4.011 5.964) 8.713 14.666 ( -5.744 0.288 9.155) 10.811 14.977 ( 1.175 -2.841 -0.012) 3.074 15.120 ( -0.074 -5.867 -8.551) 10.370======================= Grid point 200 (68/140) =======================q-point: ( 0.25 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( 6.667 8.825 16.427) 19.803 2.044 ( 12.160 12.121 17.505) 24.520 2.755 ( 2.906 -5.753 -2.233) 6.821 3.064 ( -12.877 3.410 7.270) 15.175 3.127 ( -10.843 -1.329 2.738) 11.262 3.366 ( 8.933 5.780 10.127) 14.689 3.685 ( 12.371 -3.649 14.157) 19.151 4.118 ( -0.584 -1.255 7.266) 7.397 4.247 ( 8.565 2.833 5.832) 10.742 4.369 ( -0.766 -3.581 4.459) 5.770 4.744 ( -0.864 -5.972 -0.699) 6.075 5.032 ( -0.107 0.933 4.805) 4.896 5.469 ( 0.893 -1.553 -4.999) 5.310 5.546 ( -4.455 -6.107 1.447) 7.696 5.657 ( -3.987 0.888 2.063) 4.576 5.697 ( 2.370 2.943 -9.302) 10.041 5.974 ( -3.317 -2.074 5.846) 7.034 6.038 ( -8.180 -0.301 4.768) 9.473 6.382 ( -10.193 -5.056 0.772) 11.404 6.579 ( -4.185 5.261 0.093) 6.723 6.746 ( -4.202 8.576 2.459) 9.862 7.087 ( -13.295 -4.724 -3.526) 14.543 7.375 ( 11.565 0.631 -3.106) 11.992 7.706 ( 4.344 -12.549 -5.313) 14.303 8.077 ( 6.886 1.743 -8.001) 10.699 8.303 ( -2.266 1.882 -7.608) 8.159 8.507 ( 2.279 -3.025 -7.060) 8.012 8.753 ( 12.525 -0.746 -2.108) 12.723 8.990 ( 4.468 2.638 -2.309) 5.679 9.095 ( -1.495 3.207 -2.132) 4.131 9.617 ( 0.208 -5.977 -5.749) 8.295 9.818 ( -4.324 -4.658 -8.048) 10.255 10.066 ( -1.297 7.367 -2.716) 7.958 10.228 ( 2.001 6.258 -4.576) 8.007 10.367 ( 1.226 -2.007 -1.854) 2.995 10.728 ( -6.925 0.998 -7.510) 10.264 10.780 ( -4.797 3.520 7.757) 9.776 10.997 ( -6.414 -5.279 2.109) 8.571 11.086 ( 1.931 -3.940 -6.268) 7.651 11.271 ( -0.280 0.682 -2.929) 3.021 12.015 ( 8.122 -1.890 1.081) 8.409 12.272 ( 0.323 4.414 6.459) 7.829 12.601 ( 2.825 10.187 -5.506) 11.919 12.769 ( 0.564 8.256 -1.118) 8.350 13.918 ( 6.072 0.901 6.401) 8.869 14.516 ( -8.791 0.009 10.153) 13.430 15.009 ( 2.005 -3.537 -2.438) 4.741 15.117 ( -0.275 -5.870 -8.633) 10.443======================= Grid point 201 (69/140) =======================q-point: ( 0.38 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( 19.178 6.632 7.852) 21.758 2.297 ( 12.264 7.458 13.139) 19.459 2.711 ( -19.789 5.109 2.576) 20.600 2.830 ( -3.179 -1.580 0.324) 3.565 2.923 ( -1.489 -0.178 2.430) 2.856 3.323 ( -9.222 -0.853 1.501) 9.382 4.043 ( 11.847 -2.482 9.311) 15.272 4.184 ( 10.993 2.866 12.818) 17.128 4.268 ( -1.380 1.034 3.326) 3.746 4.535 ( 14.354 0.777 9.491) 17.225 4.712 ( -3.951 -5.066 5.160) 8.240 5.046 ( 0.342 -3.394 2.936) 4.501 5.298 ( -12.014 0.909 4.055) 12.712 5.446 ( -10.123 -3.238 -2.947) 11.030 5.575 ( 3.577 2.800 2.568) 5.218 5.798 ( -5.186 4.066 4.638) 8.058 5.937 ( 4.454 -4.013 2.980) 6.696 5.996 ( 4.630 -3.404 -2.546) 6.286 6.217 ( -5.408 -9.078 1.157) 10.629 6.493 ( -5.741 5.391 -0.483) 7.890 6.673 ( -2.620 9.855 1.748) 10.346 6.809 ( -11.967 -0.794 -4.507) 12.812 7.639 ( 12.362 -7.253 -7.013) 15.956 7.794 ( 3.726 -11.563 -6.920) 13.981 8.177 ( 2.555 2.655 -10.399) 11.032 8.253 ( -1.371 4.326 -8.751) 9.857 8.538 ( 1.661 0.088 -5.268) 5.524 8.822 ( -8.369 -2.425 -3.449) 9.370 9.036 ( 8.673 5.024 -2.625) 10.361 9.195 ( 4.386 0.063 -0.226) 4.393 9.641 ( 2.225 -5.421 -4.442) 7.353 9.744 ( -3.117 -3.821 -7.121) 8.661 10.062 ( 1.608 8.571 -0.143) 8.722 10.222 ( -2.386 8.206 -0.567) 8.565 10.416 ( 2.797 -3.149 -4.186) 5.938 10.590 ( -6.514 -1.610 -4.246) 7.940 10.717 ( -1.097 -0.566 4.500) 4.666 10.855 ( -6.745 -2.235 2.920) 7.682 11.143 ( 3.366 -2.474 -5.536) 6.935 11.256 ( -1.514 -0.709 -4.938) 5.214 12.155 ( 5.727 -3.060 1.976) 6.787 12.271 ( -0.668 0.744 4.971) 5.070 12.663 ( 3.338 13.342 -4.828) 14.576 12.765 ( -1.038 11.859 -2.394) 12.143 14.039 ( 6.188 -0.733 8.081) 10.205 14.336 ( -8.942 -0.494 10.484) 13.788 15.051 ( 2.047 -4.423 -5.165) 7.101 15.107 ( -0.731 -5.677 -8.308) 10.089======================= Grid point 202 (70/140) =======================q-point: (-0.50 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( -21.769 3.464 3.820) 22.371 2.214 ( 21.769 3.464 3.820) 22.371 2.611 ( -11.802 6.357 8.070) 15.647 2.611 ( 11.802 6.357 8.070) 15.647 3.098 ( -11.961 -1.705 -1.296) 12.151 3.098 ( 11.961 -1.705 -1.296) 12.151 4.160 ( -4.606 -0.869 4.596) 6.565 4.160 ( 4.606 -0.869 4.596) 6.565 4.538 ( -13.758 -0.361 10.223) 17.144 4.538 ( 13.758 -0.361 10.223) 17.144 4.858 ( -16.839 0.461 8.561) 18.896 4.858 ( 16.839 0.461 8.561) 18.896 5.264 ( -7.065 -3.634 0.249) 7.949 5.264 ( 7.065 -3.634 0.249) 7.949 5.672 ( -5.919 5.590 4.668) 9.385 5.672 ( 5.919 5.590 4.668) 9.385 6.010 ( -4.063 -9.652 2.136) 10.688 6.010 ( 4.063 -9.652 2.136) 10.688 6.308 ( -11.608 0.051 -3.438) 12.106 6.308 ( 11.608 0.051 -3.438) 12.106 6.668 ( -2.654 6.837 -0.985) 7.400 6.668 ( 2.654 6.837 -0.985) 7.400 7.806 ( -3.708 -12.362 -8.111) 15.243 7.806 ( 3.708 -12.362 -8.111) 15.243 8.218 ( -2.772 6.396 -10.418) 12.535 8.218 ( 2.772 6.396 -10.418) 12.535 8.634 ( -8.350 -0.206 -3.270) 8.970 8.634 ( 8.350 -0.206 -3.270) 8.970 9.187 ( -4.897 1.456 -2.185) 5.557 9.187 ( 4.897 1.456 -2.185) 5.557 9.691 ( -2.450 -4.208 -5.298) 7.196 9.691 ( 2.450 -4.208 -5.298) 7.196 10.138 ( -5.279 8.896 1.068) 10.399 10.138 ( 5.279 8.896 1.068) 10.399 10.481 ( -4.254 -4.003 -2.709) 6.439 10.481 ( 4.254 -4.003 -2.709) 6.439 10.748 ( -3.867 -0.911 1.999) 4.447 10.748 ( 3.867 -0.911 1.999) 4.447 11.209 ( -3.063 -1.497 -5.209) 6.225 11.209 ( 3.063 -1.497 -5.209) 6.225 12.238 ( -2.751 -2.322 3.362) 4.925 12.238 ( 2.751 -2.322 3.362) 4.925 12.726 ( -2.787 14.045 -3.795) 14.813 12.726 ( 2.787 14.045 -3.795) 14.813 14.172 ( -7.462 -0.945 9.735) 12.302 14.172 ( 7.462 -0.945 9.735) 12.302 15.086 ( -1.436 -5.190 -7.205) 8.995 15.086 ( 1.436 -5.190 -7.205) 8.995======================= Grid point 207 (71/140) =======================q-point: ( 0.00 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 0.000 10.453 17.811) 20.652 2.006 ( 0.000 14.714 17.111) 22.568 2.639 ( 0.000 -5.781 5.904) 8.263 2.987 ( 0.000 -8.551 9.819) 13.020 3.138 ( 0.000 22.995 21.692) 31.612 3.410 ( 0.000 -4.595 -4.586) 6.491 3.703 ( 0.000 -3.016 9.916) 10.364 3.912 ( 0.000 -3.081 8.255) 8.811 3.993 ( 0.000 -0.663 5.360) 5.401 4.347 ( 0.000 -6.452 2.552) 6.939 4.790 ( 0.000 -3.490 8.450) 9.143 5.111 ( 0.000 4.369 -5.581) 7.088 5.243 ( 0.000 -14.920 2.850) 15.189 5.322 ( 0.000 2.068 6.101) 6.442 5.719 ( 0.000 -0.847 -11.443) 11.474 5.908 ( 0.000 -1.389 1.143) 1.798 6.093 ( 0.000 3.109 -10.353) 10.809 6.152 ( 0.000 -3.302 2.081) 3.903 6.595 ( 0.000 3.185 -4.929) 5.868 6.874 ( 0.000 3.334 2.935) 4.442 6.941 ( 0.000 0.212 1.295) 1.312 7.180 ( 0.000 -9.081 -0.988) 9.135 7.408 ( 0.000 -2.887 3.460) 4.506 7.483 ( 0.000 -2.602 -2.098) 3.342 7.820 ( 0.000 3.677 -2.488) 4.440 8.203 ( 0.000 0.729 -5.159) 5.210 8.282 ( 0.000 0.702 -0.013) 0.702 8.391 ( 0.000 -5.745 0.085) 5.745 9.041 ( 0.000 8.263 -8.770) 12.049 9.214 ( 0.000 1.182 -4.343) 4.501 9.535 ( 0.000 -2.484 -12.321) 12.569 9.791 ( 0.000 -8.052 -7.844) 11.241 10.133 ( 0.000 2.783 -8.198) 8.658 10.250 ( 0.000 5.078 -4.078) 6.513 10.463 ( 0.000 3.716 4.592) 5.907 10.780 ( 0.000 -10.238 -13.315) 16.797 11.022 ( 0.000 6.186 -6.123) 8.704 11.110 ( 0.000 4.705 8.479) 9.697 11.110 ( 0.000 1.579 -6.042) 6.245 11.280 ( 0.000 -3.926 8.610) 9.463 11.770 ( 0.000 4.036 2.218) 4.605 12.487 ( 0.000 12.048 8.699) 14.861 12.636 ( 0.000 -11.720 2.978) 12.093 12.721 ( 0.000 9.157 -7.605) 11.903 13.937 ( 0.000 10.882 2.799) 11.236 14.756 ( 0.000 2.778 3.396) 4.387 14.821 ( 0.000 -11.744 -7.861) 14.132 15.007 ( 0.000 -3.906 -0.243) 3.913======================= Grid point 208 (72/140) =======================q-point: ( 0.12 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.776 ( -5.652 13.369 16.823) 22.219 2.160 ( 9.587 14.995 16.081) 23.986 2.601 ( -2.327 -7.329 3.443) 8.425 3.036 ( 2.656 -9.441 9.013) 13.320 3.265 ( 5.806 10.762 11.610) 16.862 3.406 ( 5.754 9.285 6.673) 12.800 3.626 ( -7.008 -0.737 7.503) 10.293 3.952 ( 3.497 -8.080 7.437) 11.525 4.060 ( 6.008 -0.724 7.932) 9.977 4.313 ( -2.715 -5.228 1.506) 6.080 4.775 ( -1.341 -2.000 8.498) 8.832 5.069 ( -3.030 1.424 -0.151) 3.351 5.274 ( 2.370 -12.563 0.352) 12.789 5.390 ( 5.827 1.486 3.026) 6.732 5.688 ( -2.267 -0.475 -8.570) 8.877 5.871 ( -3.767 -0.637 0.867) 3.918 6.035 ( -5.557 1.589 -6.815) 8.936 6.125 ( -2.672 -2.012 1.224) 3.562 6.558 ( -6.143 1.913 -4.842) 8.052 6.799 ( -8.019 2.854 1.348) 8.618 6.883 ( -1.790 0.729 5.506) 5.836 7.157 ( -1.576 -2.239 -4.845) 5.565 7.385 ( -3.440 -7.874 -1.429) 8.710 7.395 ( -2.821 -1.460 2.164) 3.843 7.953 ( 9.279 3.041 -4.618) 10.802 8.271 ( 5.776 0.737 -4.701) 7.484 8.385 ( 0.159 -5.319 -2.447) 5.857 8.434 ( 12.465 -1.501 -0.093) 12.555 9.054 ( 1.677 7.743 -7.654) 11.016 9.201 ( -1.349 1.855 -3.908) 4.532 9.522 ( -1.124 -2.908 -10.702) 11.147 9.764 ( -2.502 -7.024 -7.697) 10.716 10.178 ( 3.273 2.322 -7.089) 8.146 10.253 ( 1.002 4.673 -5.041) 6.946 10.430 ( -2.757 3.810 3.730) 6.002 10.802 ( 1.130 -8.934 -12.485) 15.394 10.939 ( -5.758 3.432 -5.954) 8.966 11.014 ( -7.307 3.937 5.681) 10.058 11.113 ( -3.148 1.220 2.366) 4.122 11.271 ( -0.034 -1.491 0.673) 1.637 11.852 ( 7.073 3.367 3.870) 8.738 12.486 ( -0.224 12.305 8.920) 15.199 12.682 ( 4.282 -10.390 3.392) 11.738 12.755 ( 3.167 9.118 -7.233) 12.062 13.957 ( 1.850 9.905 2.722) 10.438 14.698 ( -5.617 3.020 3.604) 7.325 14.831 ( 0.961 -11.574 -7.801) 13.990 15.000 ( -0.685 -4.536 -0.936) 4.682======================= Grid point 209 (73/140) =======================q-point: ( 0.25 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.767 ( 5.463 14.194 11.941) 19.337 2.351 ( 9.051 15.495 14.689) 23.190 2.599 ( 2.994 -8.831 -1.152) 9.396 3.018 ( -4.574 -6.331 5.265) 9.420 3.197 ( -9.888 6.385 3.108) 12.174 3.464 ( -5.283 2.425 6.436) 8.673 3.733 ( 16.620 7.491 13.638) 22.767 4.026 ( 5.156 -6.739 9.069) 12.419 4.163 ( 1.996 -9.802 5.757) 11.541 4.326 ( 6.945 3.005 4.153) 8.632 4.747 ( -1.123 1.471 7.934) 8.147 5.015 ( -2.138 -2.226 3.928) 4.996 5.308 ( -0.252 -9.019 1.873) 9.214 5.491 ( 3.255 0.882 -1.636) 3.748 5.694 ( 3.014 1.171 0.339) 3.251 5.753 ( -6.736 1.263 -6.179) 9.227 5.903 ( -6.391 -3.250 1.695) 7.368 6.052 ( -4.227 -1.341 2.266) 4.980 6.313 ( -15.369 1.040 -0.996) 15.436 6.691 ( -4.038 3.685 -0.743) 5.516 6.857 ( -3.204 -0.605 3.482) 4.770 7.034 ( -7.921 2.193 -6.035) 10.197 7.344 ( 2.347 -4.672 -3.714) 6.413 7.474 ( 6.247 -6.876 0.474) 9.302 8.114 ( 7.218 2.068 -7.698) 10.753 8.303 ( -1.381 -2.069 -4.764) 5.374 8.470 ( 6.072 0.027 -5.475) 8.176 8.681 ( 10.138 -4.625 -2.232) 11.364 9.109 ( 2.791 6.780 -5.583) 9.216 9.172 ( -0.022 3.869 -2.566) 4.642 9.507 ( 0.164 -3.657 -8.230) 9.007 9.706 ( -3.036 -5.775 -7.412) 9.875 10.203 ( 0.004 4.762 -0.818) 4.832 10.314 ( 2.501 -1.595 -4.217) 5.156 10.397 ( 1.498 7.711 -2.468) 8.234 10.723 ( -8.193 -1.269 -4.909) 9.635 10.832 ( -10.174 0.813 6.814) 12.272 10.917 ( 1.875 -3.377 -9.827) 10.559 11.021 ( -4.486 0.087 1.397) 4.700 11.264 ( -1.276 -1.744 -5.142) 5.578 12.011 ( 8.416 3.906 5.928) 11.010 12.471 ( -1.559 12.300 9.467) 15.599 12.783 ( 5.336 -6.222 3.780) 9.026 12.833 ( 4.236 8.059 -5.707) 10.745 14.007 ( 3.196 7.955 2.724) 8.995 14.550 ( -8.759 3.797 4.164) 10.415 14.858 ( 1.645 -11.320 -7.971) 13.942 14.982 ( -1.093 -6.121 -2.751) 6.800======================= Grid point 210 (74/140) =======================q-point: ( 0.38 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.984 ( 15.499 11.526 6.042) 20.238 2.484 ( 2.981 9.210 10.053) 13.956 2.699 ( 3.025 -5.950 -3.430) 7.505 2.891 ( -7.710 -0.312 3.470) 8.461 2.973 ( -5.731 11.754 5.210) 14.077 3.332 ( -9.501 2.458 5.991) 11.498 3.934 ( 5.732 -8.439 5.849) 11.760 4.106 ( -1.283 -13.265 4.342) 14.016 4.317 ( 15.111 5.778 10.463) 19.267 4.513 ( 8.663 1.870 6.179) 10.803 4.751 ( 2.649 4.231 8.876) 10.184 4.984 ( -1.417 -3.784 6.698) 7.822 5.243 ( -4.704 -3.037 5.132) 7.595 5.469 ( -11.657 4.711 -2.488) 12.817 5.613 ( 4.237 1.880 2.583) 5.307 5.811 ( -2.839 -7.016 4.224) 8.667 5.841 ( 3.174 -2.434 -2.475) 4.704 5.996 ( -3.413 3.136 1.067) 4.756 6.050 ( -4.486 -5.313 0.108) 6.954 6.523 ( -13.033 -4.298 -2.785) 14.003 6.809 ( 0.439 5.977 -1.013) 6.079 6.926 ( -4.084 10.015 -0.849) 10.849 7.433 ( 5.742 -11.198 -5.689) 13.811 7.570 ( 2.003 -9.509 -3.184) 10.226 8.245 ( 5.600 3.496 -8.087) 10.439 8.311 ( 2.922 1.507 -8.154) 8.792 8.541 ( 1.506 0.284 -5.047) 5.275 8.745 ( -4.084 -4.611 -4.465) 7.608 9.168 ( 4.781 7.052 -3.554) 9.231 9.228 ( 3.197 3.048 -2.726) 5.191 9.539 ( 2.896 -4.033 -7.180) 8.729 9.652 ( -2.398 -5.074 -7.266) 9.181 10.215 ( 1.912 5.367 2.828) 6.361 10.339 ( 2.274 -1.788 2.530) 3.843 10.435 ( -3.272 8.364 -2.946) 9.452 10.578 ( -5.684 1.283 -3.032) 6.568 10.654 ( -3.928 -4.129 4.167) 7.060 10.858 ( -6.308 2.180 -5.405) 8.588 11.040 ( 4.506 -6.522 -7.550) 10.948 11.216 ( -3.397 -3.743 -7.439) 8.993 12.174 ( 7.805 6.112 7.619) 12.503 12.417 ( -3.934 11.163 9.633) 15.261 12.878 ( 3.822 -1.235 2.859) 4.930 12.904 ( 2.578 5.862 -2.752) 6.970 14.086 ( 4.878 6.433 3.023) 8.621 14.369 ( -9.015 4.673 4.165) 10.975 14.893 ( 1.843 -10.741 -7.781) 13.391 14.958 ( -1.338 -8.007 -4.952) 9.510======================= Grid point 211 (75/140) =======================q-point: (-0.50 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.327 ( -16.950 7.189 3.596) 18.759 2.327 ( 16.950 7.189 3.596) 18.759 2.743 ( -6.035 3.167 2.265) 7.182 2.743 ( 6.035 3.167 2.265) 7.182 3.102 ( -12.268 4.755 5.063) 14.098 3.102 ( 12.268 4.755 5.063) 14.098 4.039 ( -4.809 -11.516 4.771) 13.361 4.039 ( 4.809 -11.516 4.771) 13.361 4.545 ( -5.874 2.484 5.201) 8.229 4.545 ( 5.874 2.484 5.201) 8.229 4.895 ( -8.800 0.659 11.723) 14.674 4.895 ( 8.800 0.659 11.723) 14.674 5.242 ( -7.114 2.940 2.685) 8.152 5.242 ( 7.114 2.940 2.685) 8.152 5.746 ( -6.304 -1.601 1.797) 6.748 5.746 ( 6.304 -1.601 1.797) 6.748 5.850 ( -3.025 -2.182 2.397) 4.434 5.850 ( 3.025 -2.182 2.397) 4.434 6.243 ( -14.003 -5.621 -3.572) 15.506 6.243 ( 14.003 -5.621 -3.572) 15.506 6.852 ( -3.240 9.857 -0.774) 10.404 6.852 ( 3.240 9.857 -0.774) 10.404 7.541 ( -4.320 -12.389 -5.443) 14.205 7.541 ( 4.320 -12.389 -5.443) 14.205 8.335 ( -2.665 5.020 -8.980) 10.627 8.335 ( 2.665 5.020 -8.980) 10.627 8.610 ( -6.786 -2.333 -4.369) 8.401 8.610 ( 6.786 -2.333 -4.369) 8.401 9.246 ( -1.799 4.296 -3.453) 5.798 9.246 ( 1.799 4.296 -3.453) 5.798 9.602 ( -2.918 -4.521 -7.256) 9.033 9.602 ( 2.918 -4.521 -7.256) 9.033 10.301 ( -6.743 4.832 3.871) 9.154 10.301 ( 6.743 4.832 3.871) 9.154 10.431 ( -6.858 -0.068 3.305) 7.614 10.431 ( 6.858 -0.068 3.305) 7.614 10.727 ( -6.540 0.321 -6.139) 8.976 10.727 ( 6.540 0.321 -6.139) 8.976 11.135 ( -4.659 -5.589 -8.396) 11.110 11.135 ( 4.659 -5.589 -8.396) 11.110 12.315 ( -6.239 8.883 8.970) 14.082 12.315 ( 6.239 8.883 8.970) 14.082 12.924 ( -0.705 2.821 0.492) 2.949 12.924 ( 0.705 2.821 0.492) 2.949 14.206 ( -7.231 5.495 3.606) 9.771 14.206 ( 7.231 5.495 3.606) 9.771 14.928 ( -1.629 -9.638 -6.775) 11.893 14.928 ( 1.629 -9.638 -6.775) 11.893======================= Grid point 216 (76/140) =======================q-point: ( 0.00 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( 0.000 10.927 10.585) 15.213 2.276 ( 0.000 4.879 8.403) 9.717 2.504 ( 0.000 0.690 13.210) 13.228 2.743 ( 0.000 -14.164 13.256) 19.400 3.367 ( 0.000 2.007 0.238) 2.021 3.477 ( 0.000 -4.962 7.428) 8.933 3.718 ( 0.000 17.236 10.620) 20.245 3.967 ( 0.000 -4.842 8.346) 9.649 4.006 ( 0.000 9.450 8.592) 12.771 4.203 ( 0.000 -7.265 5.513) 9.119 4.706 ( 0.000 -1.258 12.752) 12.813 4.867 ( 0.000 -16.481 7.184) 17.979 5.253 ( 0.000 7.275 -6.291) 9.618 5.356 ( 0.000 -1.444 0.728) 1.617 5.737 ( 0.000 3.455 -2.808) 4.453 5.842 ( 0.000 -5.026 3.199) 5.958 6.123 ( 0.000 0.082 -7.620) 7.621 6.127 ( 0.000 0.248 -10.791) 10.793 6.724 ( 0.000 8.711 -6.056) 10.610 6.918 ( 0.000 1.125 4.906) 5.033 6.934 ( 0.000 -0.586 4.279) 4.319 6.944 ( 0.000 -11.709 -4.688) 12.613 7.371 ( 0.000 -0.311 1.010) 1.057 7.402 ( 0.000 -3.252 -1.689) 3.665 8.002 ( 0.000 10.687 -0.079) 10.688 8.212 ( 0.000 -8.374 -0.462) 8.387 8.248 ( 0.000 2.764 -2.841) 3.963 8.299 ( 0.000 -2.011 -0.558) 2.087 9.170 ( 0.000 4.050 -8.030) 8.994 9.219 ( 0.000 -0.852 -5.533) 5.599 9.543 ( 0.000 3.006 -11.578) 11.962 9.642 ( 0.000 -6.060 -8.904) 10.770 10.203 ( 0.000 3.943 -8.117) 9.024 10.282 ( 0.000 -2.298 -5.607) 6.060 10.547 ( 0.000 3.964 2.703) 4.798 10.627 ( 0.000 -4.414 -5.736) 7.237 11.085 ( 0.000 1.262 -4.982) 5.140 11.111 ( 0.000 -1.216 -3.542) 3.745 11.203 ( 0.000 2.505 2.808) 3.763 11.228 ( 0.000 -0.949 3.874) 3.989 11.963 ( 0.000 14.153 5.125) 15.052 12.312 ( 0.000 -17.437 5.070) 18.160 12.723 ( 0.000 9.265 6.033) 11.056 12.830 ( 0.000 0.028 -1.175) 1.175 14.196 ( 0.000 13.961 -1.620) 14.055 14.518 ( 0.000 -15.845 -7.010) 17.326 14.838 ( 0.000 4.533 -0.206) 4.538 14.930 ( 0.000 -3.952 -0.020) 3.952======================= Grid point 217 (77/140) =======================q-point: ( 0.12 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.074 ( -2.961 14.128 10.186) 17.667 2.326 ( 2.232 -6.915 4.801) 8.709 2.539 ( 4.396 9.353 14.370) 17.700 2.798 ( 4.273 -12.613 11.075) 17.321 3.348 ( -0.759 4.286 1.313) 4.547 3.498 ( 0.228 -8.855 5.935) 10.663 3.792 ( 6.084 15.152 10.234) 19.270 3.933 ( -3.579 3.274 5.787) 7.551 4.044 ( 3.363 1.702 11.449) 12.053 4.209 ( 2.678 -5.694 5.560) 8.397 4.705 ( 0.103 -1.002 12.262) 12.303 4.863 ( -0.243 -15.162 7.300) 16.829 5.277 ( 2.208 8.071 -4.838) 9.665 5.405 ( 4.497 -2.450 -0.112) 5.122 5.704 ( -2.747 3.049 -2.607) 4.862 5.807 ( -3.394 -5.246 3.694) 7.259 6.062 ( -5.811 1.364 -7.628) 9.686 6.092 ( -3.814 -1.416 -7.309) 8.365 6.674 ( -7.406 8.297 -4.270) 11.913 6.818 ( -7.882 -2.149 2.860) 8.655 6.886 ( -1.934 0.523 3.267) 3.832 6.975 ( 1.447 -9.562 -6.511) 11.659 7.350 ( -1.658 1.040 1.387) 2.399 7.372 ( -1.047 -1.015 1.128) 1.844 8.064 ( 4.578 7.093 -2.617) 8.838 8.222 ( 0.260 -6.998 -2.001) 7.283 8.339 ( 8.011 2.302 -3.199) 8.927 8.395 ( 9.349 -2.385 -1.441) 9.755 9.178 ( 1.027 3.901 -7.282) 8.324 9.222 ( 0.309 -0.375 -5.022) 5.045 9.524 ( -1.694 3.077 -10.711) 11.272 9.626 ( -1.612 -5.973 -8.555) 10.557 10.224 ( 1.754 2.519 -6.152) 6.875 10.279 ( -0.219 -1.862 -4.025) 4.440 10.538 ( -0.238 5.807 -0.153) 5.814 10.654 ( 2.234 -5.462 -6.772) 8.982 10.992 ( -7.458 1.800 -2.322) 8.015 11.026 ( -8.001 -1.393 2.500) 8.498 11.172 ( -2.920 3.340 -0.074) 4.437 11.235 ( -0.680 -2.373 -2.800) 3.732 12.036 ( 6.774 13.776 6.063) 16.506 12.376 ( 6.004 -16.909 5.554) 18.783 12.732 ( 0.611 9.891 6.721) 11.973 12.854 ( 2.151 -0.734 -0.181) 2.281 14.207 ( 1.151 13.953 -1.957) 14.136 14.529 ( 1.106 -15.742 -7.219) 17.354 14.794 ( -4.234 5.377 -0.270) 6.849 14.905 ( -2.342 -4.887 -0.526) 5.444======================= Grid point 218 (78/140) =======================q-point: ( 0.25 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.083 ( 4.438 15.103 6.962) 17.212 2.376 ( 4.018 -12.311 2.215) 13.138 2.651 ( 5.399 12.174 11.445) 17.560 2.862 ( 1.251 -8.317 7.032) 10.963 3.340 ( -0.955 7.228 2.195) 7.614 3.471 ( -2.152 -3.058 6.631) 7.612 3.802 ( -4.013 -1.133 7.063) 8.202 3.856 ( -5.614 -5.853 4.186) 9.127 4.195 ( 13.236 10.386 11.180) 20.201 4.360 ( 11.124 -1.917 7.742) 13.687 4.717 ( 1.112 -0.072 11.355) 11.410 4.864 ( 0.459 -11.349 7.885) 13.827 5.317 ( 0.979 9.103 -1.360) 9.256 5.504 ( 4.415 -4.182 0.517) 6.103 5.668 ( -0.311 -0.012 -6.378) 6.385 5.732 ( -2.201 -3.487 4.633) 6.203 5.899 ( -10.216 3.151 -3.229) 11.168 5.981 ( -6.936 -4.117 -1.653) 8.234 6.432 ( -14.247 8.590 -0.926) 16.662 6.625 ( -12.158 -8.598 -0.574) 14.902 6.895 ( 2.616 5.355 -1.642) 6.182 7.023 ( 3.665 -5.450 -4.292) 7.846 7.303 ( -3.100 3.174 0.525) 4.468 7.387 ( 1.339 -3.657 1.607) 4.213 8.166 ( 6.092 2.915 -5.477) 8.695 8.236 ( 2.011 -3.639 -4.485) 6.116 8.505 ( 6.837 3.020 -4.708) 8.833 8.585 ( 7.750 -4.329 -3.731) 9.629 9.221 ( 3.429 3.268 -6.022) 7.662 9.240 ( 1.876 1.698 -3.873) 4.626 9.488 ( -1.501 2.265 -9.296) 9.685 9.583 ( -2.477 -5.709 -7.559) 9.791 10.254 ( 1.101 0.944 -0.483) 1.528 10.278 ( 0.250 -1.511 -0.128) 1.537 10.562 ( 2.831 7.315 -6.199) 9.997 10.681 ( -1.797 -3.497 -6.741) 7.804 10.834 ( -10.567 -0.156 5.179) 11.769 10.848 ( -4.352 -2.015 -0.750) 4.854 11.084 ( -5.708 4.686 -4.214) 8.503 11.191 ( -3.592 -4.856 -7.130) 9.344 12.204 ( 9.531 13.622 7.699) 18.321 12.527 ( 8.581 -15.429 6.621) 18.856 12.733 ( -0.934 11.274 8.252) 14.002 12.897 ( 1.617 -3.037 2.326) 4.153 14.243 ( 2.513 13.978 -2.745) 14.465 14.561 ( 1.993 -14.825 -7.551) 16.756 14.683 ( -6.461 7.041 -0.723) 9.584 14.843 ( -3.701 -7.286 -1.988) 8.410======================= Grid point 219 (79/140) =======================q-point: ( 0.38 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.248 ( 11.599 12.894 3.374) 17.668 2.501 ( 8.276 -10.354 0.740) 13.276 2.687 ( -3.507 7.696 5.642) 10.166 2.828 ( -4.790 -5.046 3.414) 7.750 3.296 ( -1.291 16.567 4.762) 17.286 3.439 ( -2.594 6.372 7.292) 10.025 3.712 ( -3.234 -11.188 5.652) 12.945 3.765 ( -2.848 -15.539 4.145) 16.333 4.471 ( 12.631 7.967 7.993) 16.938 4.592 ( 10.660 0.908 8.413) 13.611 4.740 ( 0.982 -0.241 10.192) 10.242 4.872 ( -0.283 -7.744 9.023) 11.894 5.312 ( 0.073 9.866 2.648) 10.215 5.555 ( 1.056 -10.136 3.566) 10.797 5.607 ( -8.586 6.349 -4.150) 11.456 5.711 ( -5.390 -0.456 -2.971) 6.171 5.793 ( 3.799 0.090 2.025) 4.305 5.895 ( 3.688 -6.610 2.489) 7.968 6.160 ( -12.787 8.772 -0.453) 15.513 6.361 ( -13.852 -9.606 -2.137) 16.992 6.970 ( 4.627 8.408 -2.262) 9.860 7.101 ( 2.700 2.028 -1.768) 3.812 7.242 ( -1.697 -2.220 -2.171) 3.538 7.378 ( -2.716 -8.953 -1.013) 9.411 8.307 ( 7.443 2.048 -6.183) 9.890 8.328 ( 7.456 0.038 -6.714) 10.034 8.565 ( -1.062 2.408 -5.865) 6.428 8.644 ( -2.268 -4.668 -5.695) 7.705 9.304 ( 4.114 3.743 -4.046) 6.878 9.306 ( 4.651 4.401 -5.455) 8.412 9.475 ( 0.092 -1.248 -8.254) 8.349 9.536 ( -2.257 -5.555 -6.735) 9.018 10.282 ( 2.231 1.369 3.940) 4.730 10.302 ( 2.758 -1.131 4.042) 5.022 10.540 ( -9.328 1.773 2.532) 9.827 10.579 ( -7.281 -2.578 3.174) 8.350 10.695 ( 2.748 8.766 -6.677) 11.357 10.875 ( 4.451 -7.357 -8.949) 12.411 10.958 ( -6.668 5.414 -7.212) 11.215 11.100 ( -5.367 -6.833 -9.153) 12.620 12.396 ( 9.390 13.779 9.111) 19.001 12.678 ( -1.871 8.245 9.118) 12.434 12.701 ( 5.668 -8.742 7.832) 13.034 12.901 ( -1.528 -6.528 5.180) 8.473 14.309 ( 4.197 13.798 -3.344) 14.805 14.536 ( -6.426 9.469 -2.646) 11.745 14.623 ( 2.579 -13.595 -6.459) 15.270 14.765 ( -4.001 -10.236 -4.022) 11.703======================= Grid point 220 (80/140) =======================q-point: (-0.50 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.504 ( -12.768 9.123 2.427) 15.879 2.504 ( 12.768 9.123 2.427) 15.879 2.684 ( -8.952 -7.119 0.794) 11.465 2.684 ( 8.952 -7.119 0.794) 11.465 3.344 ( -5.268 16.271 6.740) 18.383 3.344 ( 5.268 16.271 6.740) 18.383 3.715 ( -2.246 -17.747 5.096) 18.600 3.715 ( 2.246 -17.747 5.096) 18.600 4.653 ( -4.943 7.186 6.938) 11.144 4.653 ( 4.943 7.186 6.938) 11.144 4.815 ( -5.717 -7.189 9.824) 13.449 4.815 ( 5.717 -7.189 9.824) 13.449 5.398 ( -9.039 10.064 2.432) 13.744 5.398 ( 9.039 10.064 2.432) 13.744 5.604 ( -4.685 -8.909 1.761) 10.218 5.604 ( 4.685 -8.909 1.761) 10.218 5.930 ( -10.077 6.712 0.671) 12.127 5.930 ( 10.077 6.712 0.671) 12.127 6.093 ( -12.724 -8.086 -1.903) 15.196 6.093 ( 12.724 -8.086 -1.903) 15.196 7.067 ( -4.636 10.428 -1.530) 11.514 7.067 ( 4.636 10.428 -1.530) 11.514 7.293 ( -5.045 -11.156 -2.999) 12.606 7.293 ( 5.045 -11.156 -2.999) 12.606 8.439 ( -3.214 4.924 -7.303) 9.376 8.439 ( 3.214 4.924 -7.303) 9.376 8.538 ( -4.933 -4.283 -5.704) 8.672 8.538 ( 4.933 -4.283 -5.704) 8.672 9.361 ( -0.426 6.219 -5.396) 8.244 9.361 ( 0.426 6.219 -5.396) 8.244 9.492 ( -1.847 -5.900 -7.052) 9.379 9.492 ( 1.847 -5.900 -7.052) 9.379 10.360 ( -4.248 2.441 5.166) 7.119 10.360 ( 4.248 2.441 5.166) 7.119 10.417 ( -5.043 -2.326 6.386) 8.463 10.417 ( 5.043 -2.326 6.386) 8.463 10.814 ( -7.005 7.441 -10.204) 14.442 10.814 ( 7.005 7.441 -10.204) 14.442 10.986 ( -5.807 -8.094 -9.552) 13.801 10.986 ( 5.807 -8.094 -9.552) 13.801 12.565 ( -7.403 13.619 9.849) 18.365 12.565 ( 7.403 13.619 9.849) 18.365 12.832 ( -5.310 -10.219 7.058) 13.507 12.832 ( 5.310 -10.219 7.058) 13.507 14.410 ( -5.845 12.725 -3.126) 14.348 14.410 ( 5.845 12.725 -3.126) 14.348 14.688 ( -3.695 -12.846 -5.882) 14.604 14.688 ( 3.695 -12.846 -5.882) 14.604======================= Grid point 252 (81/140) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.050 ( 0.000 0.000 22.944) 22.944 2.130 ( 0.000 0.000 23.568) 23.568 2.670 ( 0.000 0.000 10.797) 10.797 3.255 ( 0.000 0.000 2.595) 2.595 3.304 ( 0.000 0.000 -8.120) 8.120 3.436 ( 0.000 0.000 25.391) 25.391 3.776 ( 0.000 0.000 -2.620) 2.620 4.242 ( 0.000 0.000 7.463) 7.463 4.301 ( 0.000 0.000 -5.759) 5.759 4.373 ( 0.000 0.000 5.058) 5.058 4.795 ( 0.000 0.000 -4.360) 4.360 4.915 ( 0.000 0.000 0.496) 0.496 5.263 ( 0.000 0.000 -6.815) 6.815 5.450 ( 0.000 0.000 12.726) 12.726 5.609 ( 0.000 0.000 -12.052) 12.052 5.876 ( 0.000 0.000 -6.172) 6.172 6.034 ( 0.000 0.000 -2.863) 2.863 6.484 ( 0.000 0.000 2.825) 2.825 6.604 ( 0.000 0.000 -1.582) 1.582 6.674 ( 0.000 0.000 -0.654) 0.654 6.685 ( 0.000 0.000 -3.834) 3.834 7.482 ( 0.000 0.000 -29.835) 29.835 7.527 ( 0.000 0.000 19.148) 19.148 7.636 ( 0.000 0.000 7.603) 7.603 7.644 ( 0.000 0.000 7.739) 7.739 8.215 ( 0.000 0.000 -2.041) 2.041 8.397 ( 0.000 0.000 -7.582) 7.582 8.524 ( 0.000 0.000 1.222) 1.222 8.524 ( 0.000 0.000 4.111) 4.111 8.977 ( 0.000 0.000 -12.126) 12.126 9.590 ( 0.000 0.000 -4.413) 4.413 9.849 ( 0.000 0.000 -8.149) 8.149 9.948 ( 0.000 0.000 -4.509) 4.509 9.997 ( 0.000 0.000 -6.161) 6.161 10.360 ( 0.000 0.000 1.673) 1.673 10.847 ( 0.000 0.000 -8.163) 8.163 10.901 ( 0.000 0.000 -12.339) 12.339 10.958 ( 0.000 0.000 7.712) 7.712 11.004 ( 0.000 0.000 -2.811) 2.811 11.348 ( 0.000 0.000 -0.674) 0.674 11.839 ( 0.000 0.000 6.459) 6.459 12.296 ( 0.000 0.000 6.998) 6.998 12.438 ( 0.000 0.000 -4.829) 4.829 12.627 ( 0.000 0.000 -0.602) 0.602 13.878 ( 0.000 0.000 10.432) 10.432 14.896 ( 0.000 0.000 -12.603) 12.603 14.908 ( 0.000 0.000 8.201) 8.201 15.103 ( 0.000 0.000 1.624) 1.624======================= Grid point 253 (82/140) =======================q-point: ( 0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.937 ( -12.427 0.000 23.176) 26.298 2.110 ( 5.897 0.000 21.705) 22.492 2.781 ( 2.917 0.000 2.897) 4.111 3.260 ( -4.359 0.000 -6.128) 7.520 3.276 ( 5.405 0.000 6.306) 8.306 3.463 ( -3.102 0.000 19.223) 19.471 3.807 ( 6.672 0.000 3.279) 7.434 4.174 ( -3.364 0.000 3.624) 4.945 4.350 ( -0.764 0.000 5.630) 5.682 4.375 ( 3.701 0.000 -1.567) 4.020 4.814 ( 2.194 0.000 -2.719) 3.493 4.964 ( 3.994 0.000 1.741) 4.357 5.275 ( 1.138 0.000 -6.679) 6.775 5.502 ( 5.112 0.000 9.219) 10.541 5.580 ( -2.730 0.000 -11.277) 11.603 5.817 ( -5.369 0.000 -2.717) 6.018 6.039 ( 0.391 0.000 -3.075) 3.099 6.483 ( -0.077 0.000 2.626) 2.627 6.489 ( -9.981 0.000 3.167) 10.472 6.637 ( -3.336 0.000 -0.427) 3.363 6.710 ( -1.211 0.000 -4.793) 4.944 7.294 ( -6.479 0.000 14.155) 15.568 7.352 ( -12.896 0.000 -20.733) 24.417 7.638 ( 1.366 0.000 1.042) 1.718 7.903 ( 10.646 0.000 5.983) 12.212 8.152 ( -4.467 0.000 -6.276) 7.704 8.394 ( 0.915 0.000 -6.447) 6.511 8.562 ( 6.658 0.000 4.045) 7.790 8.736 ( 14.442 0.000 1.155) 14.488 8.992 ( 0.384 0.000 -9.922) 9.930 9.596 ( 0.566 0.000 -4.016) 4.056 9.832 ( -1.573 0.000 -7.547) 7.709 9.898 ( -3.014 0.000 -4.097) 5.086 10.043 ( 2.797 0.000 -5.410) 6.090 10.347 ( -1.028 0.000 0.537) 1.160 10.719 ( -9.048 0.000 -7.544) 11.781 10.931 ( 2.794 0.000 -11.170) 11.514 10.939 ( -1.888 0.000 7.847) 8.071 11.069 ( 3.596 0.000 -3.949) 5.341 11.304 ( -4.386 0.000 0.361) 4.401 11.894 ( 5.039 0.000 5.241) 7.270 12.312 ( 1.615 0.000 6.082) 6.292 12.439 ( -0.062 0.000 -4.717) 4.717 12.617 ( -1.014 0.000 -0.592) 1.175 13.936 ( 5.436 0.000 9.496) 10.942 14.852 ( -4.840 0.000 6.396) 8.022 14.909 ( 0.706 0.000 -10.174) 10.198 15.095 ( -0.817 0.000 0.891) 1.209======================= Grid point 254 (83/140) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 200Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.788 ( -1.003 0.000 19.126) 19.152 2.271 ( 9.995 0.000 18.470) 21.001 2.772 ( -0.885 0.000 -3.799) 3.901 3.136 ( -7.982 0.000 -1.425) 8.108 3.148 ( -17.334 0.000 5.373) 18.148 3.461 ( -1.490 0.000 3.326) 3.644 4.061 ( 18.369 0.000 16.353) 24.594 4.138 ( -0.167 0.000 3.865) 3.868 4.403 ( -1.177 0.000 1.077) 1.595 4.425 ( 9.312 0.000 7.230) 11.789 4.894 ( 5.954 0.000 -1.925) 6.258 5.028 ( 1.570 0.000 5.486) 5.706 5.298 ( 0.426 0.000 -6.093) 6.108 5.491 ( -5.437 0.000 -10.519) 11.841 5.663 ( 10.229 0.000 3.320) 10.755 5.692 ( -6.219 0.000 3.611) 7.191 6.052 ( 1.156 0.000 -1.943) 2.261 6.234 ( -14.301 0.000 9.858) 17.370 6.479 ( -0.472 0.000 1.875) 1.934 6.562 ( -3.750 0.000 0.219) 3.757 6.599 ( -8.581 0.000 -0.961) 8.635 7.036 ( -17.390 0.000 -12.076) 21.171 7.358 ( 10.483 0.000 3.656) 11.103 7.686 ( 3.120 0.000 -6.351) 7.076 8.006 ( 1.195 0.000 -3.954) 4.131 8.060 ( -4.877 0.000 -8.875) 10.126 8.448 ( 3.466 0.000 -0.492) 3.500 8.743 ( 10.820 0.000 2.464) 11.097 8.950 ( -5.105 0.000 -5.827) 7.747 9.018 ( 12.411 0.000 -0.758) 12.434 9.613 ( 1.208 0.000 -3.139) 3.363 9.794 ( -2.173 0.000 -6.029) 6.409 9.857 ( -0.539 0.000 -1.784) 1.863 10.088 ( 1.469 0.000 -4.235) 4.483 10.335 ( 0.107 0.000 -1.961) 1.964 10.557 ( -6.672 0.000 -7.554) 10.079 10.892 ( -2.506 0.000 8.093) 8.472 10.997 ( 3.442 0.000 -9.196) 9.819 11.120 ( 1.600 0.000 -5.729) 5.948 11.183 ( -7.466 0.000 2.725) 7.948 12.019 ( 7.153 0.000 3.078) 7.787 12.356 ( 2.741 0.000 4.061) 4.900 12.429 ( -1.075 0.000 -4.304) 4.436 12.588 ( -1.958 0.000 -0.498) 2.020 14.071 ( 7.555 0.000 8.250) 11.186 14.722 ( -7.859 0.000 8.457) 11.545 14.931 ( 1.422 0.000 -10.646) 10.741 15.071 ( -1.519 0.000 -1.246) 1.965======================= Grid point 255 (84/140) =======================q-point: ( 0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 13.026 0.000 11.472) 17.358 2.491 ( 11.806 0.000 14.116) 18.402 2.688 ( -18.028 0.000 -1.916) 18.129 2.870 ( 1.551 0.000 0.491) 1.627 2.951 ( -10.469 0.000 3.980) 11.200 3.297 ( -12.657 0.000 -3.635) 13.169 4.166 ( 2.922 0.000 4.753) 5.579 4.341 ( -4.480 0.000 4.140) 6.100 4.472 ( 20.789 0.000 16.671) 26.647 4.679 ( 14.794 0.000 7.607) 16.635 5.000 ( -4.871 0.000 9.924) 11.055 5.039 ( 8.156 0.000 -3.940) 9.058 5.230 ( -8.578 0.000 -1.368) 8.686 5.362 ( -7.359 0.000 -8.853) 11.512 5.635 ( 1.866 0.000 6.920) 7.167 5.906 ( 13.887 0.000 -1.456) 13.963 5.957 ( -12.182 0.000 9.118) 15.217 6.109 ( 4.007 0.000 1.878) 4.425 6.410 ( -9.853 0.000 1.216) 9.928 6.424 ( -6.775 0.000 -0.176) 6.777 6.519 ( 0.127 0.000 0.649) 0.662 6.714 ( -13.339 0.000 -7.311) 15.211 7.615 ( 13.840 0.000 -3.359) 14.242 7.758 ( 4.209 0.000 -9.676) 10.552 7.958 ( -5.372 0.000 -10.111) 11.449 7.989 ( -3.074 0.000 -8.811) 9.332 8.510 ( 3.454 0.000 2.368) 4.188 8.799 ( -9.282 0.000 -2.202) 9.539 8.961 ( 10.430 0.000 0.370) 10.436 9.175 ( 2.663 0.000 -2.831) 3.887 9.645 ( 1.982 0.000 -2.545) 3.226 9.745 ( -2.690 0.000 -4.093) 4.898 9.899 ( 4.857 0.000 0.687) 4.905 10.090 ( -1.595 0.000 -2.349) 2.840 10.356 ( 1.840 0.000 -4.461) 4.825 10.457 ( -3.626 0.000 -7.229) 8.088 10.858 ( -0.325 0.000 7.989) 7.996 11.025 ( -7.824 0.000 5.198) 9.394 11.061 ( 2.929 0.000 -7.787) 8.319 11.133 ( -0.289 0.000 -7.434) 7.439 12.165 ( 7.299 0.000 0.677) 7.330 12.388 ( -3.263 0.000 -3.361) 4.685 12.417 ( 3.239 0.000 2.074) 3.846 12.541 ( -2.724 0.000 -0.151) 2.729 14.224 ( 7.853 0.000 8.220) 11.368 14.554 ( -8.724 0.000 9.050) 12.570 14.963 ( 1.810 0.000 -9.315) 9.489 15.038 ( -1.820 0.000 -4.210) 4.586======================= Grid point 256 (85/140) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 124Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.264 ( -21.060 0.000 4.960) 21.636 2.264 ( 21.060 0.000 4.960) 21.636 2.728 ( -11.795 0.000 9.217) 14.969 2.728 ( 11.795 0.000 9.217) 14.969 3.037 ( -12.106 0.000 -4.816) 13.029 3.037 ( 12.106 0.000 -4.816) 13.029 4.245 ( -4.745 0.000 5.225) 7.058 4.245 ( 4.745 0.000 5.225) 7.058 4.820 ( -13.131 0.000 12.891) 18.401 4.820 ( 13.131 0.000 12.891) 18.401 4.983 ( -14.773 0.000 5.649) 15.816 4.983 ( 14.773 0.000 5.649) 15.816 5.205 ( -8.342 0.000 -6.526) 10.591 5.205 ( 8.342 0.000 -6.526) 10.591 5.748 ( -8.561 0.000 7.944) 11.679 5.748 ( 8.561 0.000 7.944) 11.679 6.196 ( -14.607 0.000 -3.153) 14.944 6.196 ( 14.607 0.000 -3.153) 14.944 6.229 ( -7.900 0.000 2.021) 8.154 6.229 ( 7.900 0.000 2.021) 8.154 6.555 ( -3.706 0.000 -1.427) 3.971 6.555 ( 3.706 0.000 -1.427) 3.971 7.852 ( -5.146 0.000 -10.608) 11.791 7.852 ( 5.146 0.000 -10.608) 11.791 7.861 ( -9.969 0.000 -7.637) 12.558 7.861 ( 9.969 0.000 -7.637) 12.558 8.620 ( -7.824 0.000 0.840) 7.869 8.620 ( 7.824 0.000 0.840) 7.869 9.132 ( -6.158 0.000 -1.949) 6.459 9.132 ( 6.158 0.000 -1.949) 6.459 9.691 ( -2.630 0.000 -2.796) 3.839 9.691 ( 2.630 0.000 -2.796) 3.839 10.016 ( -5.632 0.000 -0.037) 5.632 10.016 ( 5.632 0.000 -0.037) 5.632 10.399 ( -2.466 0.000 -6.183) 6.657 10.399 ( 2.466 0.000 -6.183) 6.657 10.898 ( -4.474 0.000 7.041) 8.342 10.898 ( 4.474 0.000 7.041) 8.342 11.110 ( -1.930 0.000 -7.688) 7.926 11.110 ( 1.930 0.000 -7.688) 7.926 12.298 ( -5.776 0.000 -1.659) 6.010 12.298 ( 5.776 0.000 -1.659) 6.010 12.481 ( -3.191 0.000 0.655) 3.258 12.481 ( 3.191 0.000 0.655) 3.258 14.384 ( -8.315 0.000 8.829) 12.128 14.384 ( 8.315 0.000 8.829) 12.128 15.000 ( -1.897 0.000 -7.102) 7.351 15.000 ( 1.897 0.000 -7.102) 7.351======================= Grid point 261 (86/140) =======================q-point: ( 0.00 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( 0.000 6.306 19.099) 20.113 2.158 ( 0.000 2.557 21.265) 21.418 2.750 ( 0.000 5.624 8.759) 10.410 3.198 ( 0.000 -2.456 0.904) 2.617 3.362 ( 0.000 1.674 -4.197) 4.518 3.411 ( 0.000 -0.366 25.433) 25.436 3.780 ( 0.000 1.669 -1.061) 1.978 4.148 ( 0.000 -6.797 2.140) 7.126 4.277 ( 0.000 -3.019 13.442) 13.777 4.440 ( 0.000 0.272 -0.084) 0.285 4.642 ( 0.000 -1.339 -10.101) 10.190 5.077 ( 0.000 6.416 1.892) 6.690 5.327 ( 0.000 4.988 -6.071) 7.857 5.459 ( 0.000 0.754 12.105) 12.128 5.526 ( 0.000 -7.234 -12.128) 14.121 5.887 ( 0.000 0.953 -6.485) 6.555 5.976 ( 0.000 -4.808 -1.138) 4.941 6.337 ( 0.000 -9.006 0.752) 9.037 6.522 ( 0.000 -3.544 -3.329) 4.863 6.799 ( 0.000 7.507 1.558) 7.667 6.810 ( 0.000 6.698 -5.525) 8.683 7.401 ( 0.000 -6.723 -8.878) 11.136 7.524 ( 0.000 -3.441 1.196) 3.643 7.587 ( 0.000 -4.825 6.051) 7.739 7.652 ( 0.000 4.151 6.095) 7.374 8.244 ( 0.000 2.055 -1.551) 2.575 8.249 ( 0.000 -6.330 1.203) 6.444 8.490 ( 0.000 -3.025 0.981) 3.180 8.704 ( 0.000 9.991 -3.934) 10.738 9.020 ( 0.000 3.889 -10.543) 11.237 9.480 ( 0.000 -8.564 -5.601) 10.232 9.791 ( 0.000 -6.186 -9.244) 11.123 9.968 ( 0.000 1.413 -4.571) 4.785 10.034 ( 0.000 4.913 -4.599) 6.730 10.438 ( 0.000 5.828 2.627) 6.393 10.764 ( 0.000 -10.124 -11.208) 15.103 10.896 ( 0.000 -1.652 -1.130) 2.002 10.907 ( 0.000 4.343 -7.037) 8.269 11.124 ( 0.000 7.046 4.656) 8.445 11.412 ( 0.000 3.089 0.879) 3.212 11.811 ( 0.000 -1.366 5.662) 5.825 12.411 ( 0.000 9.637 7.661) 12.311 12.413 ( 0.000 1.770 -6.569) 6.804 12.739 ( 0.000 5.054 -0.265) 5.061 13.889 ( 0.000 1.964 8.359) 8.587 14.824 ( 0.000 -6.692 -12.587) 14.255 14.884 ( 0.000 -2.081 7.421) 7.708 15.080 ( 0.000 -2.105 1.482) 2.574======================= Grid point 262 (87/140) =======================q-point: ( 0.12 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.967 ( -9.928 3.560 20.427) 22.989 2.229 ( 5.674 9.444 19.224) 22.157 2.750 ( -2.122 -2.510 2.175) 3.941 3.278 ( 5.885 0.460 3.316) 6.770 3.296 ( -5.439 0.784 -2.296) 5.956 3.502 ( 2.794 4.753 20.929) 21.643 3.733 ( 1.667 -3.663 2.995) 5.017 4.202 ( 5.121 -2.419 3.174) 6.493 4.299 ( -1.273 1.834 8.223) 8.521 4.403 ( 0.480 -5.317 2.674) 5.971 4.671 ( 1.799 -1.603 -6.904) 7.312 5.098 ( 1.874 5.226 2.655) 6.154 5.339 ( 1.008 4.971 -6.057) 7.901 5.501 ( 4.293 -0.670 8.780) 9.796 5.505 ( -1.958 -6.245 -10.970) 12.774 5.831 ( -4.845 1.360 -2.673) 5.698 5.987 ( 0.641 -4.501 -2.151) 5.030 6.299 ( -3.347 -7.398 2.960) 8.643 6.515 ( -2.403 -4.503 -3.288) 6.072 6.714 ( -6.708 7.697 1.070) 10.266 6.813 ( -1.651 6.238 -3.567) 7.373 7.244 ( -9.878 -4.786 2.207) 11.197 7.353 ( -8.832 0.223 -6.764) 11.127 7.591 ( 1.210 -5.647 3.139) 6.574 7.838 ( 7.031 -1.600 0.385) 7.221 8.204 ( 1.930 2.826 -0.521) 3.461 8.371 ( 1.156 -1.904 -5.862) 6.271 8.535 ( 8.958 -2.590 4.085) 10.180 8.793 ( 8.059 5.275 -2.372) 9.920 9.031 ( 0.330 3.523 -8.338) 9.058 9.491 ( 1.055 -8.274 -5.084) 9.768 9.747 ( -3.596 -5.622 -8.220) 10.589 9.999 ( 1.689 4.618 -4.440) 6.625 10.043 ( 1.769 2.408 -5.118) 5.926 10.411 ( -2.360 4.759 1.920) 5.648 10.727 ( -6.995 -1.610 -8.505) 11.129 10.819 ( 1.243 -6.133 -7.659) 9.890 10.956 ( -0.339 2.098 0.383) 2.159 11.123 ( -0.198 4.246 2.029) 4.710 11.339 ( -5.982 1.176 1.356) 6.246 11.900 ( 7.521 0.508 4.609) 8.835 12.392 ( -0.544 6.718 2.607) 7.227 12.452 ( 2.438 5.733 -1.586) 6.428 12.746 ( 0.513 6.520 -0.546) 6.563 13.935 ( 4.299 0.743 7.807) 8.944 14.814 ( -3.027 -4.560 -2.637) 6.076 14.851 ( -1.135 -4.231 -1.945) 4.793 15.069 ( -1.105 -2.390 0.777) 2.745======================= Grid point 263 (88/140) =======================q-point: ( 0.25 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.847 ( -0.491 5.505 17.152) 18.020 2.377 ( 8.810 9.309 16.665) 21.023 2.703 ( -1.026 -5.329 -3.292) 6.347 3.152 ( -9.526 0.448 0.624) 9.556 3.181 ( -14.370 2.588 4.332) 15.230 3.481 ( -3.179 2.007 2.123) 4.317 3.991 ( 17.748 -2.752 15.766) 23.898 4.232 ( -0.538 4.091 2.864) 5.023 4.325 ( 5.293 -2.364 4.936) 7.614 4.500 ( 7.741 -1.384 8.815) 11.813 4.705 ( 2.193 -5.530 -2.964) 6.646 5.135 ( 1.491 3.399 4.824) 6.087 5.356 ( 0.000 3.859 -8.263) 9.120 5.449 ( -3.389 -3.823 -6.454) 8.231 5.624 ( 5.931 -2.492 2.002) 6.738 5.729 ( -2.691 2.612 4.317) 5.718 5.994 ( -0.049 -5.077 -1.663) 5.343 6.200 ( -7.170 -1.624 7.880) 10.777 6.390 ( -8.585 -7.135 0.109) 11.163 6.582 ( -5.116 5.100 0.334) 7.231 6.761 ( -3.381 9.084 -1.542) 9.815 6.983 ( -15.928 -4.667 -8.816) 18.794 7.350 ( 7.311 -1.324 1.225) 7.531 7.625 ( 2.128 -5.853 -1.758) 6.471 7.930 ( 3.580 -0.503 -6.564) 7.494 8.166 ( -5.233 4.040 -7.670) 10.126 8.436 ( 4.846 -0.733 0.923) 4.987 8.748 ( 9.969 -1.406 0.965) 10.113 8.938 ( 1.310 1.127 -3.018) 3.478 9.046 ( 5.149 2.353 -3.110) 6.459 9.521 ( 1.998 -7.771 -3.713) 8.841 9.674 ( -3.366 -5.319 -6.738) 9.220 10.017 ( 1.039 8.551 -2.368) 8.934 10.111 ( 4.074 1.918 -6.257) 7.709 10.364 ( -1.809 2.698 0.681) 3.319 10.578 ( -6.815 1.488 -7.225) 10.043 10.870 ( 2.286 -9.036 -8.664) 12.726 10.906 ( -3.715 1.085 4.156) 5.680 11.099 ( -2.617 -0.030 1.617) 3.076 11.221 ( -4.974 0.345 -1.225) 5.135 12.065 ( 8.360 1.975 3.860) 9.417 12.385 ( -0.375 7.707 4.133) 8.753 12.508 ( 3.159 7.374 -3.163) 8.623 12.749 ( -0.398 9.666 -1.257) 9.756 14.045 ( 6.516 -1.567 7.121) 9.779 14.690 ( -8.023 -2.793 7.130) 11.091 14.865 ( 1.531 -6.069 -10.201) 11.969 15.038 ( -1.984 -3.114 -1.275) 3.906======================= Grid point 264 (89/140) =======================q-point: ( 0.38 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.968 ( 12.317 5.156 10.430) 16.943 2.547 ( 5.998 4.764 12.204) 14.409 2.689 ( -6.421 -1.261 -4.674) 8.042 2.861 ( -7.343 2.665 3.867) 8.716 2.995 ( -6.766 1.998 3.688) 7.960 3.321 ( -11.989 2.512 -1.819) 12.384 4.171 ( 3.826 -1.135 5.759) 7.007 4.332 ( -1.427 -1.322 3.964) 4.415 4.469 ( 15.808 0.141 13.819) 20.996 4.709 ( 11.322 -2.040 8.085) 14.061 4.764 ( 4.182 -6.282 0.558) 7.567 5.151 ( 0.086 3.033 6.947) 7.580 5.291 ( -6.798 3.198 -7.190) 10.399 5.357 ( -6.252 -0.076 -0.907) 6.318 5.644 ( 2.561 -0.056 4.165) 4.890 5.870 ( 9.424 -1.486 2.398) 9.837 5.951 ( -4.974 -3.458 -0.315) 6.066 6.068 ( -2.147 -1.096 7.387) 7.770 6.253 ( -4.882 -8.770 2.175) 10.270 6.475 ( -8.232 2.951 -1.889) 8.947 6.684 ( -4.731 8.915 -0.879) 10.131 6.707 ( -8.120 1.040 -5.625) 9.933 7.531 ( 9.057 -7.364 -4.048) 12.355 7.670 ( 1.889 -6.581 -5.313) 8.667 7.990 ( 2.011 4.049 -8.687) 9.793 8.069 ( -3.526 4.565 -10.044) 11.582 8.511 ( 3.295 -0.027 2.079) 3.897 8.773 ( -7.466 -2.620 -1.946) 8.148 9.004 ( 8.161 3.806 -0.551) 9.022 9.163 ( 3.045 -0.648 -2.655) 4.091 9.567 ( 2.377 -7.256 -2.956) 8.188 9.624 ( -1.581 -5.269 -5.029) 7.453 10.060 ( 3.519 9.621 -0.486) 10.256 10.172 ( 1.214 5.981 -4.612) 7.649 10.353 ( 0.809 0.586 -1.433) 1.747 10.466 ( -4.539 0.922 -6.172) 7.717 10.826 ( -2.955 -3.845 4.099) 6.350 10.880 ( -2.697 -8.297 -3.058) 9.245 11.056 ( 0.080 -1.595 -0.552) 1.689 11.149 ( -2.845 -0.643 -5.220) 5.980 12.215 ( 6.497 2.433 3.948) 7.982 12.368 ( -1.544 6.779 4.794) 8.445 12.579 ( 3.978 10.742 -3.763) 12.058 12.723 ( -2.319 12.384 -2.250) 12.799 14.185 ( 7.478 -3.106 7.327) 10.920 14.518 ( -9.015 -3.144 8.073) 12.503 14.902 ( 2.131 -5.717 -9.222) 11.058 14.994 ( -2.342 -4.059 -4.164) 6.269======================= Grid point 265 (90/140) =======================q-point: (-0.50 0.14 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.298 ( -19.512 3.250 4.665) 20.324 2.298 ( 19.512 3.250 4.665) 20.324 2.752 ( -8.267 1.863 5.852) 10.298 2.752 ( 8.267 1.863 5.852) 10.298 3.067 ( -11.870 3.076 -1.398) 12.341 3.067 ( 11.870 3.076 -1.398) 12.341 4.258 ( -4.700 0.058 5.608) 7.318 4.258 ( 4.700 0.058 5.608) 7.318 4.710 ( -6.908 -8.375 6.632) 12.722 4.710 ( 6.908 -8.375 6.632) 12.722 5.015 ( -14.166 4.086 6.566) 16.140 5.015 ( 14.166 4.086 6.566) 16.140 5.245 ( -4.056 1.881 -0.320) 4.483 5.245 ( 4.056 1.881 -0.320) 4.483 5.760 ( -8.234 0.329 4.056) 9.184 5.760 ( 8.234 0.329 4.056) 9.184 6.065 ( -2.168 -7.322 2.850) 8.151 6.065 ( 2.168 -7.322 2.850) 8.151 6.257 ( -8.861 -0.796 -1.803) 9.078 6.257 ( 8.861 -0.796 -1.803) 9.078 6.640 ( -1.138 7.134 -1.726) 7.428 6.640 ( 1.138 7.134 -1.726) 7.428 7.661 ( -3.509 -9.824 -6.644) 12.368 7.661 ( 3.509 -9.824 -6.644) 12.368 8.022 ( -1.981 7.269 -9.556) 12.169 8.022 ( 1.981 7.269 -9.556) 12.169 8.611 ( -7.235 -1.039 0.465) 7.325 8.611 ( 7.235 -1.039 0.465) 7.325 9.142 ( -4.690 1.020 -2.093) 5.237 9.142 ( 4.690 1.020 -2.093) 5.237 9.602 ( -1.096 -6.049 -3.671) 7.161 9.602 ( 1.096 -6.049 -3.671) 7.161 10.143 ( -3.791 9.060 -1.145) 9.888 10.143 ( 3.791 9.060 -1.145) 9.888 10.392 ( -2.957 -0.022 -4.171) 5.112 10.392 ( 2.957 -0.022 -4.171) 5.112 10.815 ( -2.118 -6.766 2.345) 7.468 10.815 ( 2.118 -6.766 2.345) 7.468 11.094 ( -2.744 -2.020 -5.131) 6.159 11.094 ( 2.744 -2.020 -5.131) 6.159 12.317 ( -3.764 4.123 4.473) 7.154 12.317 ( 3.764 4.123 4.473) 7.154 12.660 ( -3.905 13.076 -3.255) 14.030 12.660 ( 3.905 13.076 -3.255) 14.030 14.343 ( -8.444 -3.463 7.946) 12.101 14.343 ( 8.444 -3.463 7.946) 12.101 14.947 ( -2.359 -4.994 -7.042) 8.949 14.947 ( 2.359 -4.994 -7.042) 8.949======================= Grid point 270 (91/140) =======================q-point: ( 0.00 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.230 ( 0.000 4.118 15.225) 15.772 2.287 ( 0.000 8.559 11.617) 14.429 2.792 ( 0.000 -2.091 9.965) 10.182 3.160 ( 0.000 -2.941 8.160) 8.674 3.331 ( 0.000 -2.438 -3.465) 4.237 3.540 ( 0.000 12.749 18.938) 22.830 3.847 ( 0.000 2.503 3.738) 4.498 4.069 ( 0.000 -9.977 8.598) 13.171 4.107 ( 0.000 2.409 6.057) 6.519 4.375 ( 0.000 -5.518 -0.156) 5.520 4.806 ( 0.000 11.882 -5.103) 12.931 5.115 ( 0.000 -2.467 5.160) 5.720 5.265 ( 0.000 -12.308 -0.236) 12.310 5.419 ( 0.000 -2.586 -5.807) 6.357 5.535 ( 0.000 7.050 2.481) 7.473 5.880 ( 0.000 -3.419 -1.134) 3.603 5.916 ( 0.000 1.668 -7.435) 7.620 6.161 ( 0.000 -7.667 -2.245) 7.989 6.492 ( 0.000 1.093 -5.732) 5.835 6.882 ( 0.000 -0.958 -11.032) 11.073 6.947 ( 0.000 6.109 4.610) 7.653 7.218 ( 0.000 -8.872 3.912) 9.696 7.426 ( 0.000 -4.318 -2.051) 4.781 7.472 ( 0.000 -5.356 3.002) 6.140 7.808 ( 0.000 9.621 3.733) 10.320 8.191 ( 0.000 0.350 2.786) 2.808 8.270 ( 0.000 -0.198 -1.476) 1.489 8.406 ( 0.000 -4.765 1.376) 4.960 8.890 ( 0.000 7.469 -6.719) 10.046 9.128 ( 0.000 5.694 -5.956) 8.240 9.299 ( 0.000 -7.311 -9.670) 12.123 9.634 ( 0.000 -7.834 -8.332) 11.437 10.003 ( 0.000 2.094 -4.880) 5.310 10.157 ( 0.000 4.568 -5.298) 6.996 10.550 ( 0.000 4.180 3.700) 5.583 10.565 ( 0.000 -6.771 -8.503) 10.870 10.898 ( 0.000 1.333 -6.563) 6.698 10.987 ( 0.000 2.630 -5.995) 6.546 11.259 ( 0.000 4.811 6.776) 8.310 11.414 ( 0.000 -2.568 4.748) 5.398 11.846 ( 0.000 6.105 5.785) 8.411 12.545 ( 0.000 8.721 -9.210) 12.685 12.639 ( 0.000 10.648 6.913) 12.695 12.719 ( 0.000 -6.783 3.896) 7.823 13.994 ( 0.000 7.653 3.424) 8.384 14.629 ( 0.000 -11.194 -11.086) 15.755 14.839 ( 0.000 -1.532 4.689) 4.933 15.017 ( 0.000 -3.883 0.478) 3.912======================= Grid point 271 (92/140) =======================q-point: ( 0.12 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.089 ( -7.331 7.650 15.076) 18.427 2.415 ( 7.130 5.607 9.181) 12.906 2.716 ( -5.263 0.838 9.118) 10.561 3.200 ( -0.410 -7.500 7.417) 10.556 3.302 ( -0.117 0.708 -0.738) 1.029 3.705 ( 12.431 13.186 17.400) 25.123 3.719 ( -8.333 1.862 1.545) 8.677 4.099 ( 2.752 -12.217 7.795) 14.751 4.223 ( 8.974 2.159 8.092) 12.275 4.323 ( -4.034 -3.569 -0.601) 5.419 4.815 ( 0.567 11.180 -3.348) 11.685 5.102 ( -0.842 -5.093 3.821) 6.422 5.296 ( 2.671 -9.823 1.232) 10.254 5.451 ( 2.495 -0.773 -10.230) 10.559 5.506 ( -1.722 4.324 5.298) 7.052 5.867 ( -2.190 0.888 -0.781) 2.488 5.900 ( -0.844 -2.111 -5.318) 5.784 6.154 ( -0.920 -7.133 -0.351) 7.201 6.465 ( -3.491 0.916 -4.959) 6.134 6.842 ( -7.825 3.790 1.273) 8.787 6.904 ( 0.262 1.016 -7.926) 7.995 7.104 ( -9.722 -7.051 3.151) 12.416 7.359 ( -6.048 0.194 0.176) 6.054 7.450 ( 1.530 -5.374 2.879) 6.286 7.893 ( 4.945 5.707 -0.669) 7.581 8.247 ( 4.489 1.431 1.534) 4.955 8.318 ( 0.675 -3.018 -3.519) 4.685 8.466 ( 9.071 -3.632 2.592) 10.109 8.926 ( 3.721 6.473 -5.545) 9.300 9.126 ( -0.549 4.894 -4.713) 6.816 9.317 ( 1.705 -6.846 -8.772) 11.257 9.609 ( -2.213 -7.040 -8.147) 10.993 10.042 ( 3.714 1.755 -5.729) 7.050 10.161 ( 0.509 4.865 -4.915) 6.934 10.489 ( -3.492 1.522 0.622) 3.859 10.612 ( 1.918 -3.765 -5.718) 7.110 10.812 ( -6.137 2.355 -6.153) 9.004 10.995 ( -1.331 0.566 -5.351) 5.543 11.214 ( -4.156 3.552 6.288) 8.332 11.325 ( -7.056 -2.022 3.676) 8.209 11.949 ( 8.525 5.692 6.074) 11.915 12.589 ( 4.062 10.383 -7.741) 13.573 12.647 ( 0.732 10.410 6.281) 12.180 12.761 ( 3.886 -5.274 3.697) 7.522 14.010 ( 1.646 6.538 3.245) 7.482 14.635 ( 0.502 -11.024 -10.813) 15.450 14.790 ( -4.680 -1.663 4.699) 6.837 14.997 ( -1.948 -4.424 -0.117) 4.835======================= Grid point 272 (93/140) =======================q-point: ( 0.25 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.009 ( 0.315 9.496 12.601) 15.782 2.544 ( 5.148 -2.354 0.123) 5.662 2.656 ( 0.343 8.550 11.858) 14.623 3.110 ( -6.694 -4.478 3.632) 8.835 3.253 ( -8.923 4.395 2.972) 10.381 3.548 ( -5.615 4.079 1.744) 7.156 3.971 ( 8.117 0.092 10.790) 13.503 4.164 ( 2.919 -15.018 5.099) 16.126 4.272 ( 5.148 1.342 5.573) 7.705 4.449 ( 11.393 3.797 7.589) 14.206 4.821 ( 0.415 10.621 0.157) 10.630 5.096 ( 0.429 -7.303 3.941) 8.309 5.349 ( 1.717 -5.821 2.531) 6.576 5.432 ( -1.997 4.776 -6.118) 8.014 5.566 ( 4.998 -3.689 -2.497) 6.695 5.796 ( -3.509 3.547 2.826) 5.735 5.884 ( -1.204 -4.939 -2.110) 5.504 6.122 ( -2.034 -6.586 2.920) 7.486 6.318 ( -11.036 1.839 1.097) 11.242 6.681 ( -7.413 2.499 -0.781) 7.861 6.852 ( -8.890 -4.082 -7.772) 12.495 6.950 ( -1.799 5.772 1.021) 6.131 7.290 ( -0.175 -3.333 -0.818) 3.436 7.501 ( 2.743 -4.829 1.646) 5.793 7.987 ( 5.220 4.730 -5.045) 8.664 8.202 ( -4.415 -0.344 -6.045) 7.493 8.431 ( 6.063 0.363 1.764) 6.325 8.660 ( 7.514 -5.703 -0.116) 9.433 9.022 ( 4.869 5.347 -3.406) 7.993 9.114 ( 0.587 4.056 -3.508) 5.395 9.359 ( 2.416 -6.480 -6.369) 9.401 9.561 ( -2.292 -5.678 -7.381) 9.591 10.138 ( 5.535 1.641 -6.641) 8.799 10.185 ( 2.080 5.228 -4.476) 7.190 10.430 ( -1.844 3.147 1.807) 4.071 10.599 ( -4.121 0.117 -5.800) 7.116 10.727 ( -1.593 -2.667 -7.508) 8.125 10.912 ( -6.470 -1.258 -1.363) 6.731 11.107 ( -6.380 0.407 5.501) 8.435 11.191 ( -5.753 -2.547 -0.788) 6.341 12.136 ( 9.741 6.653 6.810) 13.621 12.638 ( -0.635 12.963 7.457) 14.968 12.709 ( 6.092 10.261 -6.652) 13.662 12.850 ( 4.466 -1.361 2.809) 5.449 14.059 ( 3.338 3.821 3.095) 5.943 14.614 ( -5.334 -5.226 -1.736) 7.667 14.702 ( -1.103 -7.298 -3.587) 8.206 14.943 ( -3.341 -5.810 -1.852) 6.953======================= Grid point 273 (94/140) =======================q-point: ( 0.38 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( 10.594 8.857 7.691) 15.806 2.623 ( 2.580 -3.549 -4.421) 6.229 2.667 ( -2.991 5.178 8.694) 10.552 2.947 ( -9.628 -0.057 2.126) 9.860 3.078 ( -2.124 10.650 5.596) 12.217 3.407 ( -9.945 5.578 1.350) 11.482 4.056 ( 4.021 -9.579 6.726) 12.376 4.190 ( -0.311 -14.477 5.035) 15.331 4.486 ( 10.891 2.921 5.922) 12.736 4.627 ( 4.226 4.095 4.298) 7.287 4.893 ( 9.084 9.036 6.154) 14.214 5.123 ( 2.319 -6.220 6.783) 9.491 5.325 ( -3.462 -0.351 3.112) 4.668 5.386 ( -5.698 3.595 -2.694) 7.256 5.617 ( 2.181 -1.904 -2.040) 3.542 5.793 ( -0.347 -8.652 -3.608) 9.381 5.878 ( 3.678 0.454 4.427) 5.773 6.093 ( -3.299 -5.156 3.711) 7.158 6.097 ( -5.984 2.100 7.417) 9.759 6.464 ( -13.817 -4.312 -3.460) 14.882 6.768 ( 0.622 6.223 -2.658) 6.795 6.901 ( -3.753 10.116 -2.213) 11.015 7.344 ( 4.820 -9.412 -3.209) 11.051 7.522 ( -1.365 -7.433 -2.108) 7.846 8.102 ( 5.663 6.023 -6.748) 10.671 8.156 ( 0.254 3.680 -7.512) 8.369 8.502 ( 1.824 -0.845 0.924) 2.212 8.687 ( -4.524 -5.357 -1.747) 7.226 9.108 ( 4.734 5.759 -2.257) 7.789 9.170 ( 2.943 1.548 -3.217) 4.627 9.417 ( 3.408 -6.105 -5.053) 8.627 9.523 ( -1.701 -4.932 -5.916) 7.887 10.232 ( 3.917 4.989 -2.565) 6.842 10.252 ( 3.920 2.357 -7.952) 9.174 10.436 ( 2.255 6.545 2.162) 7.252 10.498 ( -4.606 2.053 -3.005) 5.870 10.677 ( -4.493 -6.255 -4.948) 9.154 10.782 ( -6.085 -3.055 -2.215) 7.160 11.002 ( -2.592 -3.421 2.789) 5.119 11.093 ( -4.417 -4.302 -3.836) 7.262 12.324 ( 8.971 8.810 7.703) 14.745 12.592 ( -3.909 12.410 8.429) 15.503 12.831 ( 5.521 10.773 -4.738) 12.999 12.916 ( 1.767 3.877 0.907) 4.356 14.146 ( 5.548 0.942 3.499) 6.626 14.454 ( -9.071 -1.771 4.115) 10.116 14.732 ( 2.731 -10.107 -8.249) 13.328 14.870 ( -3.834 -7.577 -4.343) 9.538======================= Grid point 274 (95/140) =======================q-point: (-0.50 0.29 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.398 ( -16.076 6.149 3.624) 17.590 2.398 ( 16.076 6.149 3.624) 17.590 2.771 ( -8.145 -1.056 0.505) 8.229 2.771 ( 8.145 -1.056 0.505) 8.229 3.190 ( -10.337 9.200 3.914) 14.381 3.190 ( 10.337 9.200 3.914) 14.381 4.144 ( -4.022 -12.331 6.135) 14.348 4.144 ( 4.022 -12.331 6.135) 14.348 4.626 ( -3.368 2.785 2.419) 4.995 4.626 ( 3.368 2.785 2.419) 4.995 5.121 ( -8.727 2.626 10.667) 14.030 5.121 ( 8.727 2.626 10.667) 14.030 5.257 ( -0.371 1.437 0.504) 1.568 5.257 ( 0.371 1.437 0.504) 1.568 5.710 ( -5.974 -5.295 -3.544) 8.734 5.710 ( 5.974 -5.295 -3.544) 8.734 5.973 ( -3.796 -0.703 7.666) 8.583 5.973 ( 3.796 -0.703 7.666) 8.583 6.203 ( -10.999 -3.979 -0.503) 11.707 6.203 ( 10.999 -3.979 -0.503) 11.707 6.820 ( -3.871 9.456 -2.479) 10.514 6.820 ( 3.871 9.456 -2.479) 10.514 7.450 ( -5.189 -10.099 -4.057) 12.057 7.450 ( 5.189 -10.099 -4.057) 12.057 8.171 ( -0.837 7.034 -7.699) 10.462 8.171 ( 0.837 7.034 -7.699) 10.462 8.565 ( -5.568 -3.543 -0.508) 6.619 8.565 ( 5.568 -3.543 -0.508) 6.619 9.183 ( -1.851 2.975 -2.858) 4.521 9.183 ( 1.851 2.975 -2.858) 4.521 9.481 ( -2.724 -5.335 -5.037) 7.826 9.481 ( 2.724 -5.335 -5.037) 7.826 10.292 ( -0.983 3.799 -5.945) 7.124 10.292 ( 0.983 3.799 -5.945) 7.124 10.455 ( -1.119 6.413 2.308) 6.907 10.455 ( 1.119 6.413 2.308) 6.907 10.660 ( -4.756 -6.596 -3.292) 8.773 10.660 ( 4.756 -6.596 -3.292) 8.773 11.016 ( -3.034 -5.293 -2.633) 6.645 11.016 ( 3.034 -5.293 -2.633) 6.645 12.484 ( -6.930 11.016 8.341) 15.458 12.484 ( 6.930 11.016 8.341) 15.458 12.911 ( -2.298 8.419 -1.851) 8.921 12.911 ( 2.298 8.419 -1.851) 8.921 14.281 ( -7.963 -0.893 4.174) 9.034 14.281 ( 7.963 -0.893 4.174) 9.034 14.796 ( -3.592 -9.201 -6.808) 11.997 14.796 ( 3.592 -9.201 -6.808) 11.997======================= Grid point 279 (96/140) =======================q-point: ( 0.00 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 215Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.328 ( 0.000 4.956 8.729) 10.038 2.401 ( 0.000 0.068 5.176) 5.176 2.789 ( 0.000 5.243 15.100) 15.985 2.990 ( 0.000 -11.273 11.973) 16.445 3.401 ( 0.000 8.421 3.379) 9.074 3.625 ( 0.000 -10.764 7.647) 13.204 3.918 ( 0.000 12.151 9.514) 15.433 4.113 ( 0.000 9.398 2.092) 9.629 4.120 ( 0.000 -5.004 6.698) 8.361 4.265 ( 0.000 -4.022 0.627) 4.070 4.950 ( 0.000 -1.435 11.927) 12.013 5.005 ( 0.000 -9.299 6.641) 11.427 5.128 ( 0.000 8.629 -5.990) 10.504 5.316 ( 0.000 -7.347 -4.315) 8.521 5.696 ( 0.000 7.550 -0.446) 7.563 5.819 ( 0.000 -3.549 -2.469) 4.324 5.949 ( 0.000 1.660 -7.086) 7.278 6.017 ( 0.000 -5.470 -4.457) 7.056 6.577 ( 0.000 6.789 -9.134) 11.381 6.756 ( 0.000 -9.207 -12.926) 15.870 7.047 ( 0.000 3.388 7.677) 8.391 7.103 ( 0.000 -2.700 9.668) 10.038 7.366 ( 0.000 -1.148 -1.518) 1.903 7.383 ( 0.000 -2.737 0.254) 2.748 8.024 ( 0.000 10.226 2.438) 10.512 8.208 ( 0.000 -6.302 0.019) 6.302 8.233 ( 0.000 3.073 1.247) 3.316 8.307 ( 0.000 -4.040 1.191) 4.212 9.021 ( 0.000 5.178 -7.278) 8.932 9.125 ( 0.000 -4.965 -4.784) 6.895 9.312 ( 0.000 7.131 -10.938) 13.057 9.471 ( 0.000 -7.646 -8.351) 11.323 10.063 ( 0.000 3.703 -5.469) 6.605 10.153 ( 0.000 -4.077 -6.230) 7.445 10.539 ( 0.000 3.051 -4.441) 5.387 10.593 ( 0.000 -0.560 0.472) 0.732 10.944 ( 0.000 3.065 -6.312) 7.017 11.002 ( 0.000 -1.417 -4.994) 5.191 11.313 ( 0.000 1.073 5.842) 5.940 11.347 ( 0.000 -2.755 5.759) 6.384 12.082 ( 0.000 15.239 7.190) 16.850 12.426 ( 0.000 -15.781 6.281) 16.985 12.767 ( 0.000 6.636 -5.036) 8.330 12.803 ( 0.000 3.666 2.091) 4.220 14.174 ( 0.000 9.070 -0.562) 9.087 14.385 ( 0.000 -11.186 -6.479) 12.928 14.844 ( 0.000 2.280 0.786) 2.412 14.924 ( 0.000 -4.625 -0.570) 4.660======================= Grid point 280 (97/140) =======================q-point: ( 0.12 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.264 ( -4.067 8.276 9.022) 12.901 2.410 ( -0.101 -4.840 3.879) 6.203 2.816 ( 2.447 7.560 13.772) 15.900 3.005 ( 0.839 -9.936 9.971) 14.102 3.395 ( -0.037 8.613 3.757) 9.397 3.626 ( -0.615 -11.086 6.682) 12.959 3.968 ( 1.056 5.560 6.334) 8.494 4.013 ( -3.803 5.733 3.419) 7.682 4.211 ( 2.976 -0.039 4.520) 5.412 4.305 ( 7.373 -1.381 4.735) 8.870 4.940 ( -0.394 -1.466 11.355) 11.456 5.010 ( 0.376 -4.398 7.338) 8.563 5.166 ( 3.491 5.075 -4.725) 7.763 5.347 ( 2.984 -7.889 -5.411) 10.021 5.657 ( -3.483 8.072 -1.556) 8.928 5.807 ( -1.563 -5.292 -2.833) 6.203 5.930 ( -1.756 2.666 -4.293) 5.350 6.011 ( -0.679 -5.519 -2.310) 6.021 6.558 ( -2.756 7.424 -7.685) 11.035 6.749 ( -2.355 -9.725 -11.567) 15.295 6.950 ( -6.770 3.325 5.513) 9.343 7.014 ( -6.515 -2.759 8.412) 10.992 7.364 ( -2.050 0.532 -0.033) 2.118 7.385 ( 1.662 -1.527 0.172) 2.264 8.043 ( 1.396 7.884 0.396) 8.016 8.197 ( -1.682 -6.159 -0.930) 6.452 8.316 ( 7.297 2.811 1.067) 7.892 8.388 ( 7.811 -3.739 0.786) 8.696 9.045 ( 2.523 4.831 -6.301) 8.331 9.139 ( 1.297 -4.013 -3.747) 5.642 9.310 ( -0.202 6.122 -10.570) 12.216 9.459 ( -1.184 -7.253 -8.359) 11.130 10.092 ( 2.859 3.148 -5.888) 7.263 10.169 ( 1.532 -3.356 -6.002) 7.045 10.529 ( -0.961 3.633 -2.934) 4.767 10.590 ( -0.161 -1.240 -0.850) 1.512 10.880 ( -5.628 4.072 -6.011) 9.186 10.965 ( -3.978 -3.225 -5.605) 7.592 11.256 ( -5.453 0.855 5.563) 7.837 11.280 ( -6.042 -1.796 4.804) 7.925 12.168 ( 7.841 14.352 7.528) 18.004 12.494 ( 6.457 -14.950 6.297) 17.460 12.811 ( 4.083 6.017 -3.908) 8.256 12.827 ( 2.041 4.697 2.911) 5.890 14.179 ( 0.493 8.953 -0.913) 9.013 14.391 ( 0.655 -11.315 -6.778) 13.206 14.798 ( -4.484 2.733 0.674) 5.294 14.891 ( -3.230 -5.313 -0.979) 6.294======================= Grid point 281 (98/140) =======================q-point: ( 0.25 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.225 ( 1.019 10.301 7.269) 12.649 2.418 ( 1.864 -7.738 1.904) 8.184 2.857 ( 0.484 7.633 9.547) 12.233 2.993 ( -2.657 -6.021 6.140) 9.001 3.398 ( -0.331 10.111 3.896) 10.840 3.596 ( -1.812 -3.443 5.657) 6.866 3.889 ( -4.239 -5.948 1.629) 7.484 3.929 ( -7.064 -4.447 3.683) 9.124 4.369 ( 12.150 8.075 6.976) 16.171 4.514 ( 12.078 -1.942 6.918) 14.054 4.947 ( 0.832 0.342 12.008) 12.041 5.020 ( 0.762 0.216 7.185) 7.229 5.249 ( 4.215 1.957 -2.569) 5.311 5.422 ( 4.120 -9.168 -7.536) 12.562 5.583 ( -3.408 7.905 -2.605) 8.994 5.748 ( -4.341 -7.159 -4.657) 9.580 5.892 ( -1.554 4.355 3.385) 5.730 5.990 ( -1.241 -5.270 2.126) 5.817 6.422 ( -10.734 7.105 -0.947) 12.907 6.592 ( -12.121 -8.333 -3.927) 15.224 6.878 ( -0.149 4.844 0.268) 4.854 6.977 ( 2.942 -3.388 0.529) 4.518 7.299 ( -4.468 4.373 -1.004) 6.332 7.406 ( -0.352 -4.824 -0.094) 4.837 8.092 ( 4.117 4.616 -2.340) 6.614 8.168 ( -0.049 -2.617 -2.774) 3.814 8.459 ( 5.374 2.538 0.179) 5.946 8.542 ( 5.739 -5.141 -0.670) 7.734 9.117 ( 4.438 3.561 -4.691) 7.375 9.174 ( 2.369 -0.833 -2.651) 3.652 9.308 ( 0.264 3.568 -9.065) 9.745 9.432 ( -1.234 -6.477 -7.718) 10.152 10.170 ( 4.673 1.794 -6.454) 8.168 10.215 ( 3.156 -1.814 -5.208) 6.354 10.513 ( -0.210 4.671 -1.238) 4.837 10.587 ( -0.598 -1.714 -2.578) 3.153 10.754 ( -6.179 3.930 -6.417) 9.737 10.850 ( -7.127 -4.329 -4.396) 9.427 11.112 ( -8.589 0.387 4.638) 9.769 11.138 ( -7.673 -2.100 2.169) 8.246 12.358 ( 10.612 13.660 8.142) 19.118 12.655 ( 9.008 -12.779 6.216) 16.825 12.862 ( 0.934 7.285 5.007) 8.889 12.905 ( 4.636 3.732 -1.269) 6.085 14.198 ( 1.649 8.768 -1.739) 9.090 14.415 ( 1.775 -11.296 -7.326) 13.580 14.677 ( -7.326 3.677 0.175) 8.199 14.802 ( -5.411 -7.103 -2.220) 9.201======================= Grid point 282 (99/140) =======================q-point: ( 0.38 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( 8.712 9.790 4.072) 13.723 2.508 ( 7.212 -7.328 -0.123) 10.283 2.782 ( -8.602 5.351 4.158) 10.951 2.887 ( -8.055 -4.341 2.361) 9.450 3.390 ( 0.954 16.842 4.904) 17.567 3.554 ( -3.702 7.392 4.038) 9.200 3.804 ( -2.480 -13.902 3.995) 14.676 3.844 ( -1.850 -14.357 3.941) 15.003 4.612 ( 11.137 8.149 6.407) 15.215 4.741 ( 9.238 1.074 5.760) 10.940 4.950 ( -0.337 -0.834 10.895) 10.932 5.050 ( 1.423 -2.956 8.752) 9.347 5.310 ( 2.228 4.883 -0.829) 5.431 5.487 ( 0.827 -3.600 -6.677) 7.631 5.536 ( -0.681 0.898 -2.960) 3.167 5.644 ( -5.256 -4.867 -4.349) 8.380 5.905 ( 3.397 2.448 7.201) 8.330 5.983 ( 1.595 -4.575 5.550) 7.367 6.194 ( -10.970 5.917 3.528) 12.954 6.335 ( -12.910 -7.046 -0.597) 14.720 6.926 ( 4.263 8.087 -2.115) 9.384 7.061 ( 3.743 -0.073 -2.519) 4.512 7.202 ( -4.016 1.040 -2.037) 4.622 7.353 ( -4.816 -8.557 -1.965) 10.014 8.213 ( 7.626 3.466 -3.919) 9.248 8.221 ( 5.169 2.146 -4.018) 6.889 8.493 ( -1.852 0.884 -1.411) 2.491 8.566 ( -3.392 -5.485 -2.329) 6.856 9.208 ( 4.255 3.153 -4.164) 6.737 9.236 ( 3.428 3.093 -3.100) 5.561 9.327 ( 1.613 -1.009 -6.795) 7.056 9.410 ( -1.247 -5.687 -6.045) 8.393 10.266 ( 4.962 1.455 -5.905) 7.849 10.297 ( 5.104 -0.531 -4.135) 6.590 10.520 ( -2.761 0.972 -3.885) 4.864 10.532 ( -2.217 0.734 -2.812) 3.656 10.665 ( -3.391 4.303 -1.915) 5.804 10.737 ( -1.732 -1.669 -4.286) 4.915 10.938 ( -8.047 -1.249 3.377) 8.816 10.989 ( -7.079 -4.946 -0.935) 8.686 12.568 ( 10.036 13.321 8.545) 18.740 12.822 ( 5.674 -5.255 5.874) 9.711 12.849 ( -0.885 5.907 6.958) 9.170 12.969 ( 1.299 -0.342 1.911) 2.336 14.252 ( 3.915 8.639 -2.386) 9.780 14.454 ( 0.532 -5.126 -6.125) 8.005 14.534 ( -4.974 -0.728 -2.019) 5.417 14.686 ( -6.027 -9.390 -4.096) 11.885======================= Grid point 283 (100/140) =======================q-point: (-0.50 0.43 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 211Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.547 ( -12.720 7.550 1.903) 14.914 2.547 ( 12.720 7.550 1.903) 14.914 2.694 ( -10.177 -5.870 0.173) 11.750 2.694 ( 10.178 -5.870 0.173) 11.750 3.455 ( -5.028 15.395 4.569) 16.828 3.455 ( 5.028 15.395 4.569) 16.828 3.810 ( -1.647 -17.523 4.584) 18.188 3.810 ( 1.647 -17.523 4.584) 18.188 4.780 ( -5.092 10.266 5.535) 12.726 4.780 ( 5.092 10.266 5.535) 12.726 5.009 ( -5.326 -10.176 9.447) 14.872 5.009 ( 5.326 -10.176 9.447) 14.872 5.397 ( -6.694 8.957 -1.206) 11.247 5.397 ( 6.694 8.957 -1.206) 11.247 5.573 ( -2.609 -7.431 -3.688) 8.696 5.573 ( 2.609 -7.431 -3.688) 8.696 6.008 ( -7.032 3.493 6.210) 10.010 6.008 ( 7.032 3.493 6.210) 10.010 6.103 ( -9.711 -5.068 2.671) 11.275 6.103 ( 9.711 -5.068 2.671) 11.275 7.027 ( -5.305 10.031 -2.685) 11.661 7.027 ( 5.305 10.031 -2.685) 11.661 7.238 ( -5.857 -10.026 -2.860) 11.958 7.238 ( 5.857 -10.026 -2.860) 11.958 8.321 ( -1.464 7.097 -4.811) 8.698 8.321 ( 1.464 7.097 -4.811) 8.698 8.462 ( -3.473 -6.050 -2.227) 7.323 8.462 ( 3.473 -6.050 -2.227) 7.323 9.266 ( -1.058 4.741 -4.200) 6.421 9.266 ( 1.058 4.741 -4.200) 6.421 9.372 ( -2.592 -5.151 -5.198) 7.763 9.372 ( 2.592 -5.151 -5.198) 7.763 10.360 ( -2.858 3.827 -5.432) 7.233 10.360 ( 2.858 3.827 -5.432) 7.233 10.463 ( -3.576 -5.421 -2.752) 7.054 10.463 ( 3.576 -5.421 -2.752) 7.054 10.695 ( -4.670 8.627 -0.927) 9.853 10.695 ( 4.670 8.627 -0.927) 9.853 10.876 ( -3.114 -7.879 -1.107) 8.544 10.876 ( 3.114 -7.879 -1.107) 8.544 12.742 ( -7.171 12.377 8.287) 16.531 12.742 ( 7.171 12.377 8.287) 16.531 12.945 ( -3.713 -5.278 4.440) 7.833 12.945 ( 3.713 -5.278 4.440) 7.833 14.356 ( -6.369 8.002 -2.259) 10.473 14.356 ( 6.369 8.002 -2.259) 10.473 14.573 ( -5.051 -11.360 -5.836) 13.735 14.573 ( 5.051 -11.360 -5.836) 13.735======================= Grid point 315 (101/140) =======================q-point: ( 0.00 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.466 ( 0.000 0.000 20.199) 20.199 2.546 ( 0.000 0.000 18.839) 18.839 2.808 ( 0.000 0.000 4.049) 4.049 3.109 ( 0.000 0.000 -12.464) 12.464 3.289 ( 0.000 0.000 1.942) 1.942 3.621 ( 0.000 0.000 -12.147) 12.147 3.909 ( 0.000 0.000 22.122) 22.122 4.231 ( 0.000 0.000 -1.151) 1.151 4.305 ( 0.000 0.000 -1.229) 1.229 4.402 ( 0.000 0.000 -2.663) 2.663 4.830 ( 0.000 0.000 8.381) 8.381 4.976 ( 0.000 0.000 5.112) 5.112 5.163 ( 0.000 0.000 -4.119) 4.119 5.348 ( 0.000 0.000 -14.567) 14.567 5.768 ( 0.000 0.000 19.879) 19.879 5.787 ( 0.000 0.000 -2.383) 2.383 5.923 ( 0.000 0.000 -7.216) 7.216 6.487 ( 0.000 0.000 -4.477) 4.477 6.587 ( 0.000 0.000 -0.208) 0.208 6.626 ( 0.000 0.000 -2.264) 2.264 6.667 ( 0.000 0.000 0.060) 0.060 6.931 ( 0.000 0.000 -24.346) 24.346 7.797 ( 0.000 0.000 7.852) 7.852 7.804 ( 0.000 0.000 9.290) 9.290 7.866 ( 0.000 0.000 12.912) 12.912 8.132 ( 0.000 0.000 -6.398) 6.398 8.296 ( 0.000 0.000 -0.877) 0.877 8.568 ( 0.000 0.000 2.843) 2.843 8.593 ( 0.000 0.000 2.485) 2.485 8.718 ( 0.000 0.000 -14.391) 14.391 9.547 ( 0.000 0.000 0.029) 0.029 9.700 ( 0.000 0.000 -7.023) 7.023 9.875 ( 0.000 0.000 -2.793) 2.793 9.896 ( 0.000 0.000 -4.042) 4.042 10.421 ( 0.000 0.000 4.539) 4.539 10.671 ( 0.000 0.000 -8.446) 8.446 10.769 ( 0.000 0.000 -2.683) 2.683 10.901 ( 0.000 0.000 -6.766) 6.766 11.101 ( 0.000 0.000 6.918) 6.918 11.308 ( 0.000 0.000 -3.412) 3.412 11.997 ( 0.000 0.000 9.202) 9.202 12.325 ( 0.000 0.000 -6.934) 6.934 12.424 ( 0.000 0.000 6.187) 6.187 12.598 ( 0.000 0.000 -2.540) 2.540 14.098 ( 0.000 0.000 12.339) 12.339 14.627 ( 0.000 0.000 -14.472) 14.472 15.038 ( 0.000 0.000 5.250) 5.250 15.129 ( 0.000 0.000 0.391) 0.391======================= Grid point 316 (102/140) =======================q-point: ( 0.12 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.345 ( -13.416 0.000 18.849) 23.137 2.505 ( 3.756 0.000 19.120) 19.486 2.786 ( -5.589 0.000 -2.945) 6.318 3.099 ( -1.045 0.000 -10.897) 10.947 3.359 ( 4.479 0.000 4.122) 6.087 3.598 ( -5.796 0.000 -4.746) 7.491 4.014 ( 12.431 0.000 16.851) 20.939 4.212 ( -0.842 0.000 1.714) 1.910 4.346 ( 2.948 0.000 -2.932) 4.158 4.400 ( 1.312 0.000 -1.104) 1.714 4.852 ( 2.106 0.000 7.222) 7.523 5.023 ( 4.346 0.000 4.133) 5.997 5.177 ( 1.424 0.000 -3.882) 4.135 5.328 ( -1.991 0.000 -13.879) 14.021 5.779 ( -0.803 0.000 -0.477) 0.934 5.782 ( 1.510 0.000 18.670) 18.730 5.933 ( 1.028 0.000 -6.860) 6.937 6.489 ( 0.055 0.000 -4.019) 4.020 6.538 ( -4.624 0.000 2.221) 5.130 6.633 ( -3.107 0.000 0.043) 3.108 6.634 ( -0.655 0.000 -3.188) 3.254 6.867 ( -6.164 0.000 -23.236) 24.040 7.568 ( -10.341 0.000 13.500) 17.005 7.758 ( -4.127 0.000 8.021) 9.020 7.948 ( -2.106 0.000 -3.377) 3.980 8.042 ( -6.684 0.000 -5.946) 8.946 8.375 ( 8.250 0.000 5.763) 10.063 8.638 ( 6.753 0.000 3.874) 7.785 8.742 ( 11.795 0.000 -0.701) 11.816 8.782 ( 4.438 0.000 -11.479) 12.307 9.557 ( 0.967 0.000 0.045) 0.968 9.695 ( -0.428 0.000 -6.385) 6.399 9.849 ( -0.824 0.000 -0.834) 1.173 9.943 ( 3.011 0.000 -4.799) 5.665 10.383 ( -3.250 0.000 2.990) 4.416 10.575 ( -7.739 0.000 -7.008) 10.440 10.795 ( 2.786 0.000 -2.665) 3.855 10.952 ( 2.992 0.000 -7.388) 7.971 11.083 ( -1.740 0.000 6.938) 7.153 11.280 ( -2.816 0.000 -2.773) 3.952 12.031 ( 3.201 0.000 8.264) 8.862 12.331 ( 0.551 0.000 -6.454) 6.477 12.426 ( 0.235 0.000 5.610) 5.615 12.588 ( -0.919 0.000 -2.451) 2.617 14.139 ( 3.955 0.000 11.510) 12.170 14.642 ( 1.379 0.000 -13.901) 13.969 14.996 ( -4.030 0.000 5.637) 6.929 15.107 ( -2.143 0.000 -0.257) 2.158======================= Grid point 317 (103/140) =======================q-point: ( 0.25 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.140 ( -5.802 0.000 17.142) 18.098 2.607 ( 6.248 0.000 16.065) 17.237 2.655 ( -5.669 0.000 -8.581) 10.285 3.062 ( -2.733 0.000 -6.576) 7.121 3.252 ( -14.696 0.000 5.627) 15.736 3.453 ( -9.091 0.000 -3.236) 9.650 4.217 ( 1.519 0.000 4.580) 4.825 4.348 ( 19.323 0.000 12.273) 22.891 4.394 ( 1.512 0.000 -2.370) 2.812 4.525 ( 11.534 0.000 2.713) 11.849 4.910 ( 3.709 0.000 4.068) 5.505 5.119 ( 4.281 0.000 3.808) 5.730 5.214 ( 1.841 0.000 -2.787) 3.340 5.271 ( -3.653 0.000 -11.898) 12.447 5.759 ( -0.884 0.000 3.720) 3.823 5.834 ( 4.012 0.000 14.246) 14.800 5.966 ( 2.300 0.000 -6.112) 6.531 6.393 ( -9.801 0.000 6.649) 11.843 6.478 ( -1.932 0.000 -4.419) 4.823 6.565 ( -6.342 0.000 -2.611) 6.859 6.565 ( -3.138 0.000 0.218) 3.146 6.708 ( -8.741 0.000 -17.246) 19.335 7.484 ( 1.958 0.000 8.757) 8.973 7.673 ( -3.569 0.000 3.626) 5.088 7.869 ( -3.725 0.000 -9.381) 10.093 7.910 ( -6.566 0.000 -7.165) 9.718 8.528 ( 5.532 0.000 7.285) 9.147 8.808 ( 9.563 0.000 4.041) 10.381 8.826 ( -0.869 0.000 -6.989) 7.043 8.973 ( 10.154 0.000 -3.564) 10.761 9.584 ( 1.672 0.000 0.109) 1.675 9.687 ( -0.356 0.000 -4.834) 4.847 9.859 ( 2.038 0.000 1.788) 2.711 10.001 ( 2.669 0.000 -4.605) 5.323 10.321 ( -2.415 0.000 0.466) 2.459 10.430 ( -5.999 0.000 -5.409) 8.077 10.859 ( 3.313 0.000 -3.772) 5.021 10.989 ( 0.740 0.000 -7.478) 7.514 11.038 ( -2.543 0.000 6.815) 7.274 11.200 ( -5.040 0.000 -0.986) 5.136 12.113 ( 4.731 0.000 6.032) 7.666 12.340 ( 0.180 0.000 -5.064) 5.067 12.435 ( 0.729 0.000 4.060) 4.125 12.563 ( -1.620 0.000 -2.092) 2.646 14.244 ( 6.313 0.000 9.793) 11.651 14.677 ( 1.794 0.000 -11.759) 11.895 14.892 ( -5.899 0.000 5.874) 8.325 15.046 ( -3.857 0.000 -1.921) 4.309======================= Grid point 318 (104/140) =======================q-point: ( 0.38 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.143 ( 6.082 0.000 12.065) 13.512 2.568 ( -5.323 0.000 -9.025) 10.478 2.741 ( 7.029 0.000 11.437) 13.424 2.951 ( -11.111 0.000 6.335) 12.790 2.988 ( -4.757 0.000 -0.610) 4.796 3.205 ( -14.453 0.000 -5.761) 15.559 4.269 ( 3.498 0.000 5.648) 6.644 4.396 ( -1.420 0.000 1.002) 1.737 4.727 ( 17.720 0.000 9.251) 19.990 4.797 ( 14.056 0.000 4.315) 14.703 4.994 ( 4.640 0.000 -0.298) 4.649 5.155 ( -1.336 0.000 5.764) 5.917 5.187 ( -4.666 0.000 -8.851) 10.006 5.215 ( -2.904 0.000 0.006) 2.904 5.772 ( 3.129 0.000 7.113) 7.771 5.950 ( 7.691 0.000 6.311) 9.949 6.011 ( 0.281 0.000 -3.254) 3.266 6.197 ( -6.912 0.000 7.230) 10.003 6.356 ( -10.196 0.000 -8.377) 13.195 6.404 ( -9.090 0.000 -2.111) 9.332 6.531 ( -0.300 0.000 0.568) 0.642 6.584 ( -3.362 0.000 -4.353) 5.500 7.597 ( 7.789 0.000 1.531) 7.938 7.638 ( 0.209 0.000 -2.395) 2.404 7.783 ( -6.039 0.000 -7.962) 9.993 7.815 ( -2.358 0.000 -8.686) 9.000 8.593 ( 1.891 0.000 5.241) 5.571 8.754 ( -5.553 0.000 -2.730) 6.188 8.988 ( 7.983 0.000 2.288) 8.304 9.110 ( 3.271 0.000 -3.591) 4.858 9.620 ( 1.799 0.000 -0.114) 1.802 9.677 ( -0.821 0.000 -2.887) 3.002 9.929 ( 4.648 0.000 2.224) 5.152 10.038 ( 0.635 0.000 -2.968) 3.035 10.297 ( -0.061 0.000 -1.585) 1.587 10.346 ( -2.696 0.000 -4.232) 5.018 10.918 ( 2.586 0.000 -5.379) 5.968 10.987 ( -0.799 0.000 -7.255) 7.299 10.996 ( -1.144 0.000 6.054) 6.161 11.092 ( -5.347 0.000 1.544) 5.566 12.208 ( 4.568 0.000 3.169) 5.560 12.331 ( -1.286 0.000 -2.841) 3.118 12.456 ( 1.362 0.000 2.042) 2.455 12.527 ( -1.942 0.000 -1.268) 2.320 14.381 ( 7.355 0.000 8.189) 11.007 14.666 ( -4.594 0.000 -0.450) 4.616 14.818 ( 0.327 0.000 -2.379) 2.401 14.961 ( -4.539 0.000 -4.087) 6.108======================= Grid point 319 (105/140) =======================q-point: (-0.50 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.354 ( -13.675 0.000 3.953) 14.235 2.354 ( 13.675 0.000 3.953) 14.235 2.876 ( -6.375 0.000 5.695) 8.548 2.876 ( 6.375 0.000 5.695) 8.548 2.951 ( -9.190 0.000 -3.738) 9.921 2.951 ( 9.190 0.000 -3.738) 9.921 4.343 ( -3.566 0.000 4.397) 5.661 4.343 ( 3.566 0.000 4.397) 5.661 4.986 ( -3.294 0.000 4.264) 5.388 4.986 ( 3.294 0.000 4.264) 5.388 5.091 ( -4.958 0.000 -4.879) 6.956 5.091 ( 4.958 0.000 -4.879) 6.956 5.103 ( -3.607 0.000 6.388) 7.336 5.103 ( 3.607 0.000 6.388) 7.336 5.894 ( -8.390 0.000 6.844) 10.827 5.894 ( 8.390 0.000 6.844) 10.827 6.137 ( -10.844 0.000 -2.657) 11.165 6.137 ( 10.844 0.000 -2.657) 11.165 6.233 ( -7.322 0.000 -1.553) 7.485 6.233 ( 7.322 0.000 -1.553) 7.485 6.542 ( -1.299 0.000 -0.050) 1.300 6.542 ( 1.299 0.000 -0.050) 1.300 7.681 ( -3.952 0.000 -6.646) 7.732 7.681 ( 3.952 0.000 -6.646) 7.732 7.740 ( -5.740 0.000 -4.521) 7.307 7.740 ( 5.740 0.000 -4.521) 7.307 8.647 ( -4.269 0.000 1.502) 4.526 8.647 ( 4.269 0.000 1.502) 4.526 9.106 ( -3.436 0.000 -0.815) 3.531 9.106 ( 3.436 0.000 -0.815) 3.531 9.653 ( -1.510 0.000 -1.139) 1.891 9.653 ( 1.510 0.000 -1.139) 1.891 10.014 ( -3.114 0.000 -0.167) 3.118 10.014 ( 3.114 0.000 -0.167) 3.118 10.310 ( -1.181 0.000 -3.029) 3.251 10.310 ( 1.181 0.000 -3.029) 3.251 10.961 ( -1.722 0.000 -6.630) 6.850 10.961 ( 1.722 0.000 -6.630) 6.850 11.009 ( -2.591 0.000 4.177) 4.915 11.009 ( 2.591 0.000 4.177) 4.915 12.286 ( -3.190 0.000 0.045) 3.190 12.286 ( 3.190 0.000 0.045) 3.190 12.488 ( -1.834 0.000 0.141) 1.839 12.488 ( 1.834 0.000 0.141) 1.839 14.531 ( -7.646 0.000 6.352) 9.940 14.531 ( 7.646 0.000 6.352) 9.940 14.873 ( -4.077 0.000 -5.830) 7.114 14.873 ( 4.077 0.000 -5.830) 7.114======================= Grid point 324 (106/140) =======================q-point: ( 0.00 0.14 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( 0.000 -0.823 14.105) 14.129 2.512 ( 0.000 -2.763 14.070) 14.338 2.897 ( 0.000 6.404 6.958) 9.456 3.140 ( 0.000 3.610 -5.875) 6.896 3.330 ( 0.000 2.302 1.178) 2.586 3.642 ( 0.000 2.186 -9.717) 9.960 3.888 ( 0.000 -0.224 20.558) 20.560 4.198 ( 0.000 -1.690 3.448) 3.839 4.401 ( 0.000 -1.039 -4.867) 4.976 4.430 ( 0.000 8.721 -6.671) 10.980 4.584 ( 0.000 -13.393 13.204) 18.807 5.145 ( 0.000 7.565 4.856) 8.990 5.155 ( 0.000 -1.134 -12.673) 12.724 5.341 ( 0.000 -0.293 -6.085) 6.092 5.742 ( 0.000 -1.764 12.736) 12.857 5.809 ( 0.000 1.467 3.321) 3.631 5.903 ( 0.000 -1.810 -5.700) 5.981 6.353 ( 0.000 -10.563 1.672) 10.694 6.460 ( 0.000 -5.891 -3.185) 6.697 6.597 ( 0.000 -1.331 -18.269) 18.318 6.843 ( 0.000 10.190 3.011) 10.626 7.068 ( 0.000 9.109 -12.767) 15.684 7.668 ( 0.000 -9.896 6.276) 11.719 7.694 ( 0.000 -8.077 4.557) 9.274 7.897 ( 0.000 1.572 13.558) 13.649 8.182 ( 0.000 3.090 -4.562) 5.510 8.282 ( 0.000 -0.822 3.230) 3.333 8.509 ( 0.000 -4.015 -0.399) 4.035 8.666 ( 0.000 5.775 -0.372) 5.787 8.803 ( 0.000 6.314 -10.613) 12.349 9.428 ( 0.000 -9.087 0.182) 9.089 9.618 ( 0.000 -6.400 -8.362) 10.530 9.908 ( 0.000 2.135 -1.601) 2.669 9.954 ( 0.000 4.801 -3.525) 5.956 10.495 ( 0.000 5.440 3.245) 6.334 10.612 ( 0.000 -7.046 -4.639) 8.436 10.790 ( 0.000 4.180 -4.737) 6.318 10.826 ( 0.000 -3.946 -5.117) 6.462 11.221 ( 0.000 8.317 5.323) 9.875 11.393 ( 0.000 5.769 -2.611) 6.332 11.954 ( 0.000 -2.179 8.517) 8.791 12.277 ( 0.000 -1.025 -7.567) 7.636 12.548 ( 0.000 9.702 6.410) 11.628 12.717 ( 0.000 7.304 -2.150) 7.614 14.075 ( 0.000 -1.489 10.846) 10.947 14.564 ( 0.000 -5.685 -13.804) 14.929 15.004 ( 0.000 -3.046 5.006) 5.860 15.098 ( 0.000 -2.821 0.020) 2.821======================= Grid point 325 (107/140) =======================q-point: ( 0.12 0.14 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.317 ( -9.712 -0.834 15.603) 18.398 2.549 ( 2.827 0.486 11.358) 11.714 2.787 ( -7.333 3.377 3.425) 8.770 3.170 ( -1.221 4.827 -8.223) 9.613 3.374 ( 3.481 0.925 4.787) 5.990 3.615 ( -6.488 1.644 -5.093) 8.410 3.972 ( 11.374 -1.727 17.255) 20.739 4.245 ( 2.533 2.038 2.541) 4.127 4.330 ( -1.088 -0.353 -2.204) 2.483 4.511 ( 4.566 7.449 -5.032) 10.083 4.616 ( 3.022 -13.973 10.993) 18.034 5.130 ( -0.811 -0.265 -7.389) 7.438 5.185 ( 2.428 4.649 -1.256) 5.393 5.350 ( 0.923 1.592 -5.161) 5.480 5.730 ( -0.899 -2.880 9.953) 10.401 5.817 ( 0.767 1.436 5.344) 5.586 5.914 ( 0.957 -1.755 -4.147) 4.604 6.347 ( -0.674 -8.864 2.647) 9.276 6.447 ( -1.876 -7.267 -4.394) 8.697 6.600 ( -0.039 0.407 -15.913) 15.918 6.785 ( -5.529 8.111 2.499) 10.130 6.991 ( -7.526 8.059 -11.242) 15.748 7.522 ( -8.266 -4.033 10.585) 14.023 7.681 ( -1.678 -8.255 3.815) 9.247 7.872 ( -3.254 -0.290 2.881) 4.356 8.141 ( -5.743 4.171 -7.415) 10.264 8.373 ( 8.534 -0.200 6.730) 10.870 8.595 ( 8.195 -3.665 1.201) 9.057 8.760 ( 7.867 3.000 -1.198) 8.505 8.861 ( 4.555 5.468 -8.301) 10.934 9.441 ( 1.365 -9.124 -0.026) 9.226 9.598 ( -1.769 -6.497 -7.066) 9.761 9.934 ( 2.240 3.430 -2.084) 4.596 9.962 ( 1.057 3.638 -3.244) 4.987 10.448 ( -3.690 4.479 2.001) 6.139 10.581 ( -4.780 -1.495 -5.878) 7.723 10.732 ( -0.445 -2.646 -1.391) 3.022 10.887 ( 2.020 -2.538 -6.242) 7.035 11.197 ( -2.336 7.235 4.921) 9.056 11.341 ( -4.726 3.749 -1.373) 6.187 12.017 ( 5.726 -0.055 7.090) 9.113 12.300 ( 2.191 0.661 -6.822) 7.196 12.549 ( 0.042 9.790 6.125) 11.548 12.719 ( 0.057 8.375 -2.361) 8.701 14.109 ( 3.328 -2.190 10.263) 11.009 14.578 ( 1.315 -5.780 -13.331) 14.590 14.961 ( -4.149 -3.148 5.371) 7.482 15.075 ( -2.361 -3.038 -0.592) 3.893======================= Grid point 326 (108/140) =======================q-point: ( 0.25 0.14 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.160 ( -4.486 2.072 14.954) 15.750 2.581 ( -1.125 -3.924 -4.333) 5.953 2.710 ( 1.547 7.113 12.111) 14.130 3.109 ( -4.658 3.121 -5.240) 7.674 3.271 ( -13.676 1.603 5.068) 14.673 3.465 ( -8.150 1.250 -3.323) 8.889 4.226 ( 3.778 -1.501 6.831) 7.949 4.280 ( 10.893 -0.757 4.403) 11.773 4.442 ( 9.445 2.536 5.585) 11.262 4.616 ( 6.490 2.894 -2.970) 7.702 4.696 ( 5.273 -10.703 8.587) 14.700 5.116 ( -0.553 -2.912 -10.971) 11.364 5.245 ( 3.114 5.162 2.695) 6.604 5.375 ( 1.226 4.996 -2.702) 5.811 5.714 ( -0.644 -3.996 5.476) 6.810 5.847 ( 2.630 0.138 7.532) 7.980 5.935 ( 0.967 -2.530 -1.952) 3.339 6.316 ( -3.245 -4.267 4.524) 7.014 6.369 ( -5.572 -8.626 -3.503) 10.850 6.556 ( -5.440 2.920 -8.004) 10.109 6.674 ( -3.778 3.764 -3.161) 6.199 6.799 ( -10.505 7.046 -6.432) 14.191 7.445 ( 0.501 -3.713 7.719) 8.580 7.636 ( -2.466 -4.528 1.309) 5.320 7.831 ( -0.138 1.692 -3.359) 3.764 7.997 ( -7.318 4.316 -9.170) 12.501 8.527 ( 5.477 -0.224 7.075) 8.950 8.754 ( 5.211 -3.504 -1.682) 6.501 8.891 ( 4.340 4.087 -0.846) 6.022 8.980 ( 8.008 1.042 -3.552) 8.823 9.481 ( 2.551 -8.948 -0.456) 9.315 9.564 ( -1.255 -6.745 -4.565) 8.240 9.978 ( 2.456 6.889 -1.481) 7.463 10.012 ( 3.638 1.034 -3.763) 5.336 10.379 ( -2.818 4.360 0.803) 5.253 10.464 ( -5.570 2.495 -4.505) 7.586 10.754 ( 1.468 -7.292 -2.504) 7.849 10.890 ( -1.584 -4.628 -5.458) 7.329 11.137 ( -3.294 4.593 3.580) 6.690 11.227 ( -6.235 1.013 0.298) 6.324 12.154 ( 7.493 3.142 5.173) 9.632 12.360 ( 3.651 5.513 -4.788) 8.164 12.546 ( -0.425 9.178 5.056) 10.487 12.711 ( -1.051 10.487 -2.794) 10.903 14.200 ( 5.694 -3.580 9.004) 11.239 14.612 ( 1.865 -5.863 -11.494) 13.038 14.853 ( -6.208 -3.527 5.662) 9.112 15.008 ( -4.207 -3.583 -2.176) 5.939======================= Grid point 327 (109/140) =======================q-point: ( 0.38 0.14 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.175 ( 6.231 3.093 10.761) 12.814 2.551 ( -2.224 -1.315 -8.075) 8.478 2.772 ( 1.455 2.221 9.649) 10.008 2.941 ( -9.890 1.396 2.861) 10.390 3.052 ( -5.519 3.716 2.937) 7.272 3.254 ( -11.646 4.592 -4.928) 13.454 4.287 ( 4.013 0.831 6.287) 7.504 4.406 ( 0.751 1.071 2.782) 3.074 4.669 ( 9.914 -5.760 6.028) 12.954 4.733 ( 4.311 -15.046 -1.690) 15.743 4.863 ( 11.552 4.110 6.779) 14.011 5.117 ( 0.852 1.155 -8.362) 8.485 5.285 ( 0.421 5.705 5.542) 7.965 5.370 ( -2.356 6.776 0.989) 7.242 5.721 ( 2.218 -4.897 4.190) 6.816 5.906 ( -0.162 -8.056 -3.088) 8.629 5.967 ( 4.919 0.765 6.704) 8.350 6.199 ( -5.682 0.157 5.061) 7.611 6.276 ( -4.171 -6.161 -0.523) 7.458 6.399 ( -10.173 0.702 -5.847) 11.754 6.613 ( -2.379 3.543 -2.565) 4.979 6.654 ( -3.401 7.899 -2.386) 8.925 7.494 ( 3.183 -7.383 0.496) 8.055 7.598 ( -1.478 -4.167 -2.519) 5.089 7.853 ( 1.439 5.365 -5.311) 7.685 7.888 ( -2.862 6.195 -7.888) 10.430 8.587 ( 1.507 -0.691 4.901) 5.174 8.735 ( -5.018 -1.977 -2.308) 5.867 9.013 ( 6.780 2.327 1.417) 7.307 9.106 ( 3.593 -0.197 -2.993) 4.681 9.530 ( 2.000 -8.389 -0.943) 8.676 9.553 ( 0.025 -6.476 -2.372) 6.897 10.041 ( 3.624 6.572 -1.198) 7.600 10.081 ( 2.676 2.532 -3.951) 5.402 10.346 ( -0.480 4.797 0.210) 4.826 10.382 ( -2.645 3.519 -2.578) 5.101 10.773 ( 0.346 -10.288 -4.116) 11.086 10.836 ( -3.238 -7.609 -4.139) 9.247 11.080 ( -2.187 1.758 2.039) 3.468 11.116 ( -4.411 0.051 0.973) 4.518 12.296 ( 6.494 5.787 4.272) 9.690 12.425 ( 1.868 11.757 -0.231) 11.906 12.542 ( 0.776 6.953 1.139) 7.088 12.672 ( -2.975 11.638 -3.155) 12.420 14.329 ( 7.133 -4.534 7.717) 11.445 14.609 ( -4.024 -5.107 -1.494) 6.671 14.767 ( -0.340 -4.647 -1.513) 4.899 14.915 ( -4.928 -4.291 -4.237) 7.788======================= Grid point 328 (110/140) =======================q-point: (-0.50 0.14 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.382 ( -12.894 2.582 3.620) 13.639 2.382 ( 12.894 2.582 3.620) 13.639 2.815 ( -5.757 -2.832 0.745) 6.459 2.815 ( 5.757 -2.832 0.745) 6.459 3.064 ( -6.581 7.550 1.000) 10.065 3.064 ( 6.581 7.550 1.000) 10.065 4.369 ( -3.646 1.934 5.409) 6.804 4.369 ( 3.646 1.934 5.409) 6.804 4.770 ( -1.234 -14.923 -0.233) 14.976 4.770 ( 1.234 -14.923 -0.233) 14.976 5.080 ( -7.579 5.480 1.240) 9.435 5.080 ( 7.579 5.480 1.240) 9.435 5.299 ( -3.113 6.806 4.571) 8.770 5.299 ( 3.113 6.806 4.571) 8.770 5.815 ( -6.448 -7.179 1.494) 9.764 5.815 ( 6.448 -7.179 1.494) 9.764 6.118 ( -6.937 -1.109 2.934) 7.613 6.118 ( 6.937 -1.109 2.934) 7.613 6.230 ( -2.855 -0.454 -1.516) 3.264 6.230 ( 2.855 -0.454 -1.516) 3.264 6.609 ( -1.427 5.807 -1.317) 6.123 6.609 ( 1.427 5.807 -1.317) 6.123 7.555 ( -2.908 -7.552 -4.238) 9.135 7.555 ( 2.908 -7.552 -4.238) 9.135 7.870 ( -0.682 7.874 -5.680) 9.733 7.870 ( 0.682 7.874 -5.680) 9.733 8.634 ( -3.985 -1.458 1.392) 4.466 8.634 ( 3.985 -1.458 1.392) 4.466 9.113 ( -2.699 0.768 -0.893) 2.945 9.113 ( 2.699 0.768 -0.893) 2.945 9.553 ( -0.365 -7.081 -1.450) 7.237 9.553 ( 0.365 -7.081 -1.450) 7.237 10.097 ( -1.315 4.779 -2.738) 5.662 10.097 ( 1.315 4.778 -2.738) 5.662 10.351 ( -0.770 4.766 -0.551) 4.859 10.351 ( 0.770 4.766 -0.551) 4.859 10.785 ( -1.519 -10.832 -4.157) 11.701 10.785 ( 1.519 -10.832 -4.157) 11.701 11.064 ( -0.816 0.365 1.169) 1.472 11.064 ( 0.816 0.365 1.169) 1.472 12.401 ( -3.778 9.414 3.960) 10.889 12.401 ( 3.778 9.414 3.960) 10.889 12.598 ( -4.065 10.109 -3.031) 11.309 12.598 ( 4.065 10.109 -3.031) 11.309 14.478 ( -7.691 -4.751 5.934) 10.814 14.478 ( 7.691 -4.751 5.934) 10.814 14.821 ( -4.318 -4.909 -5.780) 8.726 14.821 ( 4.318 -4.909 -5.780) 8.726======================= Grid point 333 (111/140) =======================q-point: ( 0.00 0.29 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.456 ( 0.000 1.563 6.118) 6.315 2.460 ( 0.000 -1.562 7.825) 7.979 3.000 ( 0.000 2.779 10.687) 11.043 3.261 ( 0.000 5.621 -2.329) 6.084 3.331 ( 0.000 -0.810 8.303) 8.342 3.721 ( 0.000 4.925 -4.922) 6.963 3.952 ( 0.000 6.546 12.441) 14.058 4.209 ( 0.000 2.706 4.155) 4.958 4.231 ( 0.000 -14.693 6.550) 16.087 4.332 ( 0.000 -5.562 -4.355) 7.064 4.727 ( 0.000 14.179 -0.531) 14.189 5.103 ( 0.000 -3.357 -14.605) 14.986 5.227 ( 0.000 -0.034 5.685) 5.685 5.337 ( 0.000 -0.921 0.015) 0.921 5.710 ( 0.000 -0.711 8.658) 8.687 5.844 ( 0.000 1.767 3.040) 3.516 5.855 ( 0.000 -2.578 -2.695) 3.729 6.130 ( 0.000 -9.691 0.636) 9.711 6.375 ( 0.000 -1.968 -6.301) 6.601 6.554 ( 0.000 -3.192 -20.310) 20.560 7.045 ( 0.000 8.479 5.332) 10.016 7.222 ( 0.000 4.534 -2.935) 5.401 7.458 ( 0.000 -8.505 3.582) 9.229 7.514 ( 0.000 -8.068 1.137) 8.148 7.959 ( 0.000 4.871 10.032) 11.152 8.224 ( 0.000 0.682 -3.384) 3.452 8.272 ( 0.000 -0.077 5.145) 5.146 8.422 ( 0.000 -4.240 -0.409) 4.260 8.794 ( 0.000 5.819 -2.849) 6.479 8.946 ( 0.000 6.589 -10.515) 12.409 9.238 ( 0.000 -7.704 1.968) 7.952 9.474 ( 0.000 -6.950 -8.172) 10.727 9.952 ( 0.000 2.195 -0.468) 2.244 10.057 ( 0.000 3.689 -4.854) 6.096 10.466 ( 0.000 -4.823 -1.632) 5.092 10.574 ( 0.000 0.850 -2.043) 2.213 10.802 ( 0.000 2.130 -2.138) 3.018 10.887 ( 0.000 3.976 -4.395) 5.926 11.370 ( 0.000 4.384 4.756) 6.468 11.463 ( 0.000 0.133 0.503) 0.520 11.988 ( 0.000 6.892 8.629) 11.044 12.360 ( 0.000 8.762 -9.916) 13.233 12.748 ( 0.000 7.467 4.179) 8.557 12.782 ( 0.000 -2.688 2.271) 3.518 14.081 ( 0.000 2.842 5.841) 6.495 14.414 ( 0.000 -7.670 -10.868) 13.302 14.924 ( 0.000 -4.102 3.857) 5.631 15.014 ( 0.000 -4.938 -0.803) 5.003======================= Grid point 334 (112/140) =======================q-point: ( 0.12 0.29 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.337 ( -6.743 2.523 10.225) 12.506 2.510 ( 0.602 -2.392 1.341) 2.808 2.931 ( -3.998 7.668 11.803) 14.632 3.235 ( -3.452 0.194 -2.957) 4.549 3.378 ( 2.808 0.508 7.583) 8.102 3.676 ( -6.968 4.232 -5.596) 9.889 4.007 ( 8.254 4.982 13.384) 16.495 4.235 ( 1.019 -10.367 5.282) 11.679 4.295 ( -2.305 -7.300 -1.788) 7.861 4.334 ( 9.653 2.087 2.568) 10.205 4.761 ( 2.966 13.039 0.117) 13.373 5.081 ( -1.273 -2.415 -10.196) 10.555 5.266 ( 3.291 1.212 1.623) 3.864 5.360 ( 2.201 -1.426 0.372) 2.649 5.666 ( -3.560 -2.668 7.746) 8.932 5.815 ( -1.721 -2.628 -2.841) 4.235 5.888 ( 1.943 0.560 3.811) 4.315 6.152 ( 1.479 -8.800 1.035) 8.983 6.359 ( -1.391 -1.029 -6.010) 6.254 6.574 ( 1.204 -2.922 -18.483) 18.751 6.949 ( -8.501 7.012 5.337) 12.244 7.127 ( -8.508 4.239 -2.154) 9.746 7.421 ( -4.946 -4.814 4.966) 8.503 7.493 ( 1.044 -7.784 1.339) 7.968 7.936 ( -1.518 5.546 4.796) 7.487 8.189 ( -4.869 0.711 -6.291) 7.987 8.368 ( 8.332 -0.265 6.435) 10.530 8.506 ( 7.976 -4.508 0.924) 9.209 8.848 ( 5.198 4.765 -2.200) 7.387 8.988 ( 3.077 6.123 -8.595) 10.993 9.247 ( 1.011 -8.282 1.102) 8.416 9.455 ( -1.612 -6.786 -7.689) 10.381 9.975 ( 2.310 1.960 -1.103) 3.224 10.067 ( 0.997 3.851 -4.644) 6.115 10.455 ( -1.020 -2.986 -1.228) 3.386 10.561 ( -1.363 0.570 -3.016) 3.359 10.740 ( -4.845 2.639 -0.422) 5.533 10.877 ( -1.641 0.752 -5.961) 6.229 11.319 ( -4.804 3.427 4.370) 7.344 11.380 ( -7.138 -0.150 1.556) 7.308 12.083 ( 8.225 7.338 7.732) 13.464 12.419 ( 5.622 9.893 -9.151) 14.602 12.760 ( 1.029 8.417 4.628) 9.660 12.816 ( 3.085 -0.817 1.716) 3.623 14.094 ( 1.385 1.778 5.702) 6.131 14.423 ( 0.931 -8.018 -10.750) 13.443 14.878 ( -4.464 -4.251 4.137) 7.424 14.984 ( -2.997 -5.346 -1.309) 6.266======================= Grid point 335 (113/140) =======================q-point: ( 0.25 0.29 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.234 ( -2.474 4.855 10.330) 11.679 2.501 ( -0.421 -3.097 -3.693) 4.838 2.891 ( -0.836 8.452 11.131) 14.001 3.139 ( -6.343 -0.888 -0.941) 6.473 3.322 ( -9.056 3.913 4.393) 10.799 3.524 ( -6.517 4.910 -3.934) 9.059 4.137 ( 2.122 -6.687 6.683) 9.689 4.280 ( 1.552 -15.803 6.323) 17.092 4.340 ( 10.029 3.067 1.828) 10.646 4.539 ( 9.261 3.790 0.111) 10.007 4.838 ( 5.433 11.059 3.381) 12.777 5.086 ( 2.249 0.096 -6.231) 6.626 5.336 ( 3.286 3.139 1.282) 4.722 5.417 ( 3.039 -1.710 1.717) 3.886 5.602 ( -2.399 -5.988 3.989) 7.585 5.767 ( -3.198 -6.724 -4.513) 8.707 5.931 ( 2.493 1.847 6.871) 7.539 6.165 ( -0.207 -7.331 1.378) 7.462 6.315 ( -3.534 1.056 -1.484) 3.976 6.548 ( -5.200 -3.054 -12.801) 14.150 6.785 ( -5.956 6.383 2.769) 9.159 6.947 ( -7.950 6.470 -2.524) 10.557 7.340 ( -2.616 -5.465 5.508) 8.188 7.513 ( -0.050 -6.349 -0.981) 6.425 7.933 ( 1.706 6.748 -0.397) 6.972 8.077 ( -4.869 3.238 -6.512) 8.752 8.514 ( 4.977 -0.966 5.816) 7.715 8.659 ( 5.168 -5.309 -0.622) 7.435 8.976 ( 6.665 3.511 -1.388) 7.660 9.038 ( 2.539 4.703 -4.082) 6.725 9.287 ( 2.992 -8.474 -0.741) 9.018 9.427 ( -0.754 -6.356 -6.358) 9.022 10.039 ( 3.889 1.495 -2.791) 5.015 10.099 ( 2.280 3.989 -4.426) 6.379 10.435 ( -0.488 0.333 -0.457) 0.747 10.516 ( -3.024 2.078 -3.566) 5.116 10.654 ( -3.372 -0.823 0.125) 3.473 10.814 ( -4.628 -2.853 -6.714) 8.639 11.198 ( -6.854 1.019 3.628) 7.822 11.221 ( -8.110 -1.108 2.212) 8.479 12.271 ( 10.107 8.836 7.217) 15.242 12.562 ( 8.290 11.767 -7.650) 16.301 12.773 ( -0.212 10.699 5.658) 12.104 12.881 ( 2.847 3.562 0.239) 4.566 14.139 ( 3.294 -0.863 5.461) 6.436 14.452 ( 1.868 -8.570 -10.002) 13.303 14.758 ( -7.097 -4.865 4.510) 9.714 14.900 ( -5.233 -6.395 -2.660) 8.681======================= Grid point 336 (114/140) =======================q-point: ( 0.38 0.29 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.269 ( 6.307 5.645 7.626) 11.392 2.527 ( 2.746 -0.924 -5.550) 6.261 2.814 ( -8.404 1.668 6.485) 10.746 2.963 ( -10.779 -0.894 -0.713) 10.840 3.188 ( -0.964 10.572 5.796) 12.095 3.384 ( -7.502 7.665 -3.289) 11.218 4.191 ( 3.866 -11.638 7.182) 14.211 4.298 ( -0.063 -17.531 5.110) 18.261 4.532 ( 7.309 4.644 -0.281) 8.664 4.639 ( 1.082 4.909 -2.712) 5.711 5.016 ( 11.868 8.678 6.301) 15.996 5.170 ( 5.807 1.701 -1.723) 6.291 5.377 ( -0.272 3.160 5.104) 6.009 5.437 ( -2.333 -1.326 3.785) 4.640 5.583 ( 1.033 -7.131 -0.624) 7.232 5.697 ( -3.289 -9.935 -5.510) 11.827 5.999 ( 4.710 1.803 7.316) 8.886 6.155 ( -0.356 -4.085 2.085) 4.600 6.218 ( -5.264 0.799 4.404) 6.910 6.381 ( -10.066 -2.346 -5.192) 11.566 6.731 ( 0.018 7.354 -0.575) 7.377 6.837 ( -3.934 9.137 -4.195) 10.797 7.324 ( 1.076 -8.402 1.352) 8.578 7.471 ( -3.999 -7.560 -3.533) 9.254 8.000 ( 4.211 8.108 -3.401) 9.749 8.034 ( 0.548 7.213 -4.817) 8.691 8.555 ( 0.009 -2.426 3.776) 4.488 8.662 ( -4.039 -4.953 -1.290) 6.520 9.083 ( 4.465 4.061 -0.514) 6.057 9.114 ( 3.699 1.260 -2.312) 4.540 9.354 ( 3.458 -7.387 -1.353) 8.268 9.426 ( 0.128 -5.789 -4.161) 7.131 10.115 ( 3.409 1.291 -4.626) 5.890 10.149 ( 2.207 3.641 -5.179) 6.705 10.455 ( 2.458 3.086 -0.156) 3.948 10.472 ( -0.003 1.959 -1.162) 2.277 10.592 ( -3.488 -2.831 -1.311) 4.680 10.701 ( -6.520 -4.150 -5.583) 9.534 11.069 ( -5.276 -2.507 3.043) 6.587 11.084 ( -5.327 -2.563 1.456) 6.088 12.468 ( 9.395 10.742 7.221) 15.994 12.724 ( 6.174 10.989 -4.912) 13.528 12.740 ( -1.901 13.915 5.564) 15.106 12.908 ( -0.543 8.462 -1.821) 8.672 14.229 ( 5.751 -3.556 5.213) 8.538 14.472 ( -1.671 -7.115 -4.275) 8.467 14.636 ( -2.983 -7.186 0.556) 7.800 14.786 ( -6.026 -7.738 -4.443) 10.767======================= Grid point 337 (115/140) =======================q-point: (-0.50 0.29 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.461 ( -10.965 4.805 2.637) 12.258 2.461 ( 10.965 4.805 2.637) 12.258 2.765 ( -7.352 -2.462 -0.836) 7.799 2.765 ( 7.352 -2.462 -0.836) 7.799 3.250 ( -5.644 10.456 2.178) 12.079 3.250 ( 5.644 10.456 2.178) 12.079 4.267 ( -3.061 -15.414 6.068) 16.845 4.267 ( 3.061 -15.414 6.068) 16.845 4.623 ( -2.388 5.368 -2.372) 6.336 4.623 ( 2.388 5.368 -2.372) 6.336 5.230 ( -6.358 8.091 1.942) 10.472 5.230 ( 6.358 8.091 1.942) 10.472 5.347 ( -3.610 -3.553 6.844) 8.515 5.347 ( 3.610 -3.553 6.844) 8.515 5.637 ( -3.307 -7.830 -3.438) 9.168 5.637 ( 3.307 -7.830 -3.438) 9.168 6.107 ( -5.035 0.144 5.788) 7.673 6.107 ( 5.035 0.144 5.788) 7.673 6.208 ( -5.568 -1.639 0.427) 5.820 6.208 ( 5.568 -1.639 0.427) 5.820 6.767 ( -3.051 8.855 -2.593) 9.718 6.767 ( 3.051 8.855 -2.593) 9.718 7.381 ( -4.317 -8.946 -3.029) 10.385 7.381 ( 4.317 -8.946 -3.029) 10.385 8.053 ( -0.288 9.368 -4.235) 10.285 8.053 ( 0.288 9.368 -4.235) 10.285 8.574 ( -3.084 -4.480 0.945) 5.520 8.574 ( 3.084 -4.480 0.945) 5.520 9.143 ( -1.009 2.155 -1.251) 2.689 9.143 ( 1.009 2.155 -1.251) 2.689 9.411 ( -1.921 -6.106 -2.322) 6.810 9.411 ( 1.921 -6.106 -2.322) 6.810 10.162 ( -1.049 2.279 -5.685) 6.214 10.162 ( 1.049 2.279 -5.685) 6.214 10.503 ( -3.507 5.185 1.645) 6.473 10.503 ( 3.507 5.185 1.645) 6.473 10.568 ( -6.075 -5.781 -4.611) 9.570 10.568 ( 6.075 -5.781 -4.611) 9.570 11.021 ( -0.650 -4.106 1.638) 4.468 11.021 ( 0.650 -4.106 1.638) 4.468 12.633 ( -6.982 12.051 7.083) 15.625 12.633 ( 6.982 12.051 7.083) 15.625 12.854 ( -4.772 11.809 -3.967) 13.340 12.854 ( 4.772 11.809 -3.967) 13.340 14.362 ( -7.289 -5.010 4.025) 9.718 14.362 ( 7.289 -5.010 4.025) 9.718 14.674 ( -4.848 -8.786 -5.517) 11.452 14.674 ( 4.848 -8.786 -5.517) 11.452======================= Grid point 342 (116/140) =======================q-point: ( 0.00 0.43 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.459 ( 0.000 1.204 4.643) 4.797 2.480 ( 0.000 0.001 2.874) 2.874 3.053 ( 0.000 3.710 11.486) 12.070 3.176 ( 0.000 -7.232 6.253) 9.560 3.507 ( 0.000 11.876 7.792) 14.204 3.741 ( 0.000 -7.270 2.738) 7.769 4.046 ( 0.000 1.158 1.978) 2.292 4.132 ( 0.000 8.877 3.344) 9.486 4.176 ( 0.000 -7.862 -2.244) 8.176 4.252 ( 0.000 -1.446 -0.461) 1.517 5.018 ( 0.000 12.137 -3.320) 12.583 5.064 ( 0.000 0.907 -2.176) 2.358 5.162 ( 0.000 -4.495 7.850) 9.046 5.254 ( 0.000 -7.364 0.109) 7.365 5.732 ( 0.000 2.783 2.709) 3.884 5.799 ( 0.000 -2.905 -0.841) 3.025 5.884 ( 0.000 2.291 1.944) 3.005 5.964 ( 0.000 -5.819 0.650) 5.855 6.382 ( 0.000 2.529 -10.562) 10.861 6.465 ( 0.000 -4.743 -16.096) 16.780 7.186 ( 0.000 4.810 6.199) 7.846 7.250 ( 0.000 -1.355 4.645) 4.839 7.352 ( 0.000 -1.476 0.061) 1.478 7.381 ( 0.000 -4.120 -0.452) 4.145 8.093 ( 0.000 7.002 4.322) 8.229 8.205 ( 0.000 -2.841 -0.628) 2.909 8.281 ( 0.000 1.070 3.130) 3.307 8.331 ( 0.000 -3.921 0.960) 4.037 8.905 ( 0.000 4.857 -4.106) 6.359 8.999 ( 0.000 -3.145 -7.856) 8.462 9.190 ( 0.000 4.586 -1.264) 4.757 9.327 ( 0.000 -7.038 -6.570) 9.628 10.006 ( 0.000 2.951 -0.559) 3.003 10.068 ( 0.000 -2.287 -2.816) 3.628 10.455 ( 0.000 3.155 -3.443) 4.670 10.537 ( 0.000 -3.576 -5.440) 6.510 10.884 ( 0.000 4.253 -0.308) 4.264 10.934 ( 0.000 0.038 -2.346) 2.347 11.404 ( 0.000 0.227 3.494) 3.502 11.427 ( 0.000 -2.201 2.517) 3.343 12.238 ( 0.000 15.134 8.773) 17.493 12.517 ( 0.000 -4.482 0.522) 4.512 12.674 ( 0.000 2.411 -1.846) 3.037 12.802 ( 0.000 -2.981 -2.094) 3.643 14.176 ( 0.000 5.033 0.774) 5.092 14.276 ( 0.000 -5.136 -4.685) 6.952 14.864 ( 0.000 -0.676 1.194) 1.372 14.909 ( 0.000 -4.394 -0.956) 4.497======================= Grid point 343 (117/140) =======================q-point: ( 0.12 0.43 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.406 ( -3.861 3.566 5.495) 7.604 2.468 ( -1.618 -2.109 1.839) 3.232 3.050 ( -0.484 4.299 9.993) 10.889 3.158 ( -2.015 -5.835 5.114) 8.016 3.499 ( -0.386 10.629 7.033) 12.751 3.716 ( -2.498 -5.238 1.158) 5.918 4.000 ( -4.545 -1.799 0.530) 4.917 4.086 ( -4.257 -4.436 0.888) 6.212 4.257 ( 8.241 5.248 2.686) 10.133 4.364 ( 9.877 -1.930 0.588) 10.081 5.036 ( 1.773 11.796 -2.213) 12.132 5.081 ( 1.929 3.650 0.495) 4.157 5.206 ( 3.931 -5.903 6.100) 9.355 5.271 ( 1.595 -7.466 0.448) 7.647 5.657 ( -6.062 2.283 1.249) 6.597 5.735 ( -4.906 -4.264 -3.496) 7.381 5.924 ( 2.781 2.455 3.233) 4.920 6.001 ( 2.594 -5.273 1.645) 6.102 6.390 ( 0.458 3.489 -9.117) 9.772 6.485 ( 1.106 -4.985 -14.290) 15.175 7.075 ( -8.834 4.996 6.379) 11.987 7.154 ( -7.865 -1.839 4.876) 9.435 7.353 ( -2.461 -0.931 -0.702) 2.724 7.380 ( 1.271 -3.174 -0.693) 3.488 8.074 ( -1.386 6.555 2.526) 7.160 8.174 ( -3.183 -2.512 -1.722) 4.405 8.369 ( 7.449 0.727 3.633) 8.320 8.415 ( 7.348 -3.711 1.474) 8.363 8.947 ( 3.975 4.606 -3.400) 6.970 9.043 ( 3.993 -3.605 -6.808) 8.677 9.179 ( -1.020 4.531 -1.676) 4.937 9.313 ( -1.230 -6.805 -6.639) 9.586 10.025 ( 1.878 2.741 -1.030) 3.479 10.082 ( 1.387 -2.014 -2.978) 3.853 10.458 ( 0.240 3.167 -3.235) 4.533 10.534 ( -0.307 -3.052 -5.090) 5.943 10.819 ( -5.907 3.986 -0.428) 7.139 10.878 ( -5.210 -1.269 -3.175) 6.232 11.345 ( -5.689 0.096 3.409) 6.633 11.358 ( -6.379 -1.263 2.816) 7.087 12.323 ( 7.865 14.235 8.460) 18.332 12.582 ( 6.102 -3.888 0.431) 7.248 12.738 ( 5.895 2.416 -1.227) 6.488 12.844 ( 3.731 -1.548 -1.167) 4.205 14.175 ( -0.036 4.771 0.571) 4.805 14.277 ( 0.129 -5.487 -4.942) 7.385 14.817 ( -4.617 -0.558 1.213) 4.806 14.869 ( -3.943 -4.872 -1.276) 6.396======================= Grid point 344 (118/140) =======================q-point: ( 0.25 0.43 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.348 ( -0.958 5.450 5.292) 7.656 2.441 ( -0.079 -3.229 0.286) 3.242 3.010 ( -4.449 3.346 6.228) 8.353 3.083 ( -5.990 -3.709 2.816) 7.587 3.489 ( -0.875 12.045 5.352) 13.210 3.653 ( -3.370 3.993 -0.453) 5.245 3.916 ( -3.243 -11.378 2.009) 12.000 3.971 ( -5.632 -10.219 0.662) 11.687 4.478 ( 12.424 7.458 4.551) 15.188 4.585 ( 11.428 -1.316 0.323) 11.508 5.087 ( 3.243 11.938 1.158) 12.425 5.135 ( 2.900 5.396 4.788) 7.775 5.296 ( 4.313 -7.890 4.868) 10.225 5.311 ( 2.376 -8.017 -0.676) 8.389 5.543 ( -4.547 2.087 -1.314) 5.173 5.633 ( -4.921 -5.526 -5.953) 9.497 5.979 ( 2.731 2.610 5.271) 6.485 6.046 ( 1.969 -4.106 3.257) 5.598 6.368 ( -3.527 3.669 -4.321) 6.676 6.459 ( -4.614 -4.723 -8.862) 11.051 6.924 ( -4.740 6.386 4.210) 8.999 7.021 ( -3.910 -1.157 2.148) 4.608 7.278 ( -4.898 1.482 -0.294) 5.126 7.378 ( -2.068 -6.277 -2.713) 7.145 8.071 ( 1.903 5.309 0.036) 5.640 8.122 ( -0.736 0.483 -2.104) 2.281 8.499 ( 4.034 0.215 3.212) 5.161 8.549 ( 4.305 -4.444 0.849) 6.245 9.047 ( 5.552 3.547 -2.287) 6.975 9.136 ( 4.912 -4.192 -4.234) 7.722 9.163 ( 0.014 5.016 -2.481) 5.596 9.295 ( -0.108 -6.305 -6.364) 8.959 10.077 ( 3.279 2.180 -2.454) 4.640 10.122 ( 2.760 -1.462 -3.691) 4.835 10.460 ( -0.368 2.855 -3.440) 4.486 10.521 ( -1.623 -1.803 -4.945) 5.508 10.693 ( -5.104 3.118 0.084) 5.982 10.756 ( -5.977 -2.793 -3.588) 7.510 11.194 ( -9.015 -0.360 3.324) 9.615 11.201 ( -8.850 -0.818 2.933) 9.359 12.514 ( 10.617 13.140 7.944) 18.668 12.734 ( 8.452 -2.365 0.262) 8.781 12.876 ( 7.058 2.094 -0.002) 7.362 12.923 ( 3.507 2.083 1.172) 4.244 14.182 ( 0.978 4.095 0.126) 4.212 14.288 ( 1.303 -6.329 -5.520) 8.499 14.690 ( -7.846 -0.394 1.143) 7.939 14.759 ( -6.799 -6.143 -2.202) 9.424======================= Grid point 345 (119/140) =======================q-point: ( 0.38 0.43 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 336Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.397 ( 6.178 5.938 3.595) 9.292 2.494 ( 5.708 -2.860 -1.303) 6.516 2.849 ( -11.421 2.128 2.863) 11.965 2.911 ( -10.998 -3.343 0.102) 11.495 3.481 ( 0.721 16.354 4.360) 16.940 3.586 ( -3.517 11.326 -0.424) 11.867 3.876 ( -0.591 -17.186 3.304) 17.511 3.905 ( -1.510 -16.642 2.105) 16.843 4.708 ( 10.005 9.315 3.417) 14.091 4.785 ( 7.839 4.863 -0.684) 9.250 5.125 ( -0.315 -0.592 6.736) 6.769 5.187 ( 1.556 0.527 4.824) 5.096 5.324 ( 0.952 -3.657 1.397) 4.029 5.394 ( 4.024 -3.544 -2.611) 5.964 5.498 ( -0.239 0.988 -0.363) 1.079 5.557 ( -2.591 -3.823 -3.568) 5.836 6.038 ( 3.509 1.908 6.350) 7.502 6.085 ( 2.286 -2.690 4.638) 5.829 6.253 ( -7.009 2.442 1.661) 7.605 6.317 ( -8.500 -3.367 -1.883) 9.334 6.902 ( 1.892 8.277 0.017) 8.491 7.003 ( 0.683 3.450 -3.437) 4.917 7.176 ( -4.229 -2.472 -0.008) 4.899 7.295 ( -5.808 -8.791 -3.992) 11.267 8.158 ( 6.237 5.481 -1.619) 8.459 8.168 ( 5.091 4.443 -1.825) 6.999 8.500 ( -3.512 -1.665 1.547) 4.184 8.543 ( -4.532 -5.345 -0.483) 7.024 9.149 ( 4.387 2.779 -1.755) 5.482 9.189 ( 2.026 4.844 -2.347) 5.751 9.229 ( 4.299 -4.254 -2.476) 6.535 9.307 ( 0.723 -5.550 -4.570) 7.226 10.151 ( 4.146 2.283 -4.300) 6.395 10.191 ( 3.947 -0.286 -5.303) 6.617 10.409 ( -4.855 -1.100 -5.448) 7.380 10.451 ( -4.822 -3.348 -5.629) 8.133 10.669 ( 2.138 4.337 1.553) 5.079 10.695 ( 0.794 1.631 -0.349) 1.847 11.010 ( -8.917 -1.949 3.194) 9.670 11.022 ( -8.713 -2.731 2.391) 9.439 12.721 ( 9.640 12.083 7.209) 17.056 12.890 ( 6.378 0.468 0.399) 6.408 12.956 ( -0.030 4.809 3.899) 6.191 12.988 ( 3.288 1.866 0.782) 3.861 14.226 ( 3.734 3.338 -0.143) 5.010 14.335 ( 3.306 -6.040 -5.581) 8.863 14.523 ( -8.232 -1.215 0.609) 8.344 14.611 ( -7.720 -7.861 -3.557) 11.578======================= Grid point 346 (120/140) =======================q-point: (-0.50 0.43 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.576 ( -9.040 5.842 1.110) 10.821 2.576 ( 9.040 5.842 1.110) 10.821 2.691 ( -7.946 -4.699 -0.411) 9.241 2.691 ( 7.946 -4.699 -0.411) 9.241 3.520 ( -2.914 15.298 2.209) 15.729 3.520 ( 2.914 15.298 2.209) 15.729 3.884 ( -0.869 -18.721 2.838) 18.955 3.884 ( 0.869 -18.721 2.838) 18.955 4.845 ( -2.745 13.545 1.240) 13.876 4.845 ( 2.745 13.545 1.240) 13.876 5.144 ( -3.433 -13.677 3.942) 14.642 5.144 ( 3.433 -13.677 3.942) 14.642 5.395 ( -4.088 7.077 1.074) 8.244 5.395 ( 4.088 7.077 1.074) 8.244 5.519 ( -1.862 -4.764 -1.103) 5.233 5.519 ( 1.862 -4.764 -1.103) 5.233 6.124 ( -4.904 1.485 4.988) 7.151 6.124 ( 4.904 1.485 4.988) 7.151 6.165 ( -5.657 -2.237 2.963) 6.767 6.165 ( 5.657 -2.237 2.963) 6.767 6.969 ( -3.990 10.071 -2.895) 11.212 6.969 ( 3.990 10.071 -2.895) 11.212 7.181 ( -4.513 -9.897 -2.796) 11.231 7.181 ( 4.513 -9.897 -2.796) 11.231 8.256 ( -0.691 9.584 -2.009) 9.816 8.256 ( 0.691 9.584 -2.009) 9.816 8.442 ( -1.839 -7.833 -0.140) 8.047 8.442 ( 1.839 -7.833 -0.140) 8.047 9.205 ( -0.980 3.741 -2.021) 4.363 9.205 ( 0.980 3.741 -2.021) 4.363 9.296 ( -2.122 -4.838 -2.597) 5.887 9.296 ( 2.122 -4.838 -2.597) 5.887 10.229 ( -2.330 4.523 -6.101) 7.944 10.229 ( 2.330 4.523 -6.101) 7.944 10.359 ( -2.558 -7.695 -5.645) 9.881 10.359 ( 2.558 -7.695 -5.645) 9.881 10.726 ( -1.125 9.238 2.263) 9.577 10.726 ( 1.125 9.238 2.263) 9.577 10.901 ( -0.882 -7.142 2.090) 7.493 10.901 ( 0.882 -7.142 2.090) 7.493 12.879 ( -5.821 10.181 5.748) 13.061 12.879 ( 5.821 10.181 5.748) 13.061 12.998 ( -2.336 0.352 0.987) 2.560 12.998 ( 2.336 0.352 0.987) 2.560 14.329 ( -5.844 2.892 -0.497) 6.540 14.329 ( 5.844 2.892 -0.497) 6.540 14.473 ( -5.251 -9.448 -4.305) 11.635 14.473 ( 5.251 -9.448 -4.305) 11.635======================= Grid point 378 (121/140) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.802 ( 0.000 0.000 -6.262) 6.262 2.802 ( 0.000 0.000 6.262) 6.262 2.824 ( 0.000 0.000 -16.828) 16.828 2.824 ( 0.000 0.000 16.828) 16.828 3.388 ( 0.000 0.000 -9.562) 9.562 3.388 ( 0.000 0.000 9.562) 9.562 4.251 ( 0.000 0.000 -2.797) 2.797 4.251 ( 0.000 0.000 2.797) 2.797 4.253 ( 0.000 0.000 -12.965) 12.965 4.253 ( 0.000 0.000 12.965) 12.965 5.064 ( 0.000 0.000 -14.344) 14.344 5.064 ( 0.000 0.000 14.344) 14.344 5.079 ( 0.000 0.000 -4.973) 4.973 5.079 ( 0.000 0.000 4.973) 4.973 5.804 ( 0.000 0.000 -4.149) 4.149 5.804 ( 0.000 0.000 4.149) 4.149 6.195 ( 0.000 0.000 -22.865) 22.865 6.195 ( 0.000 0.000 22.865) 22.865 6.595 ( 0.000 0.000 -1.005) 1.005 6.595 ( 0.000 0.000 1.005) 1.005 6.688 ( 0.000 0.000 -3.182) 3.182 6.688 ( 0.000 0.000 3.182) 3.182 7.927 ( 0.000 0.000 -4.491) 4.491 7.927 ( 0.000 0.000 4.491) 4.491 7.982 ( 0.000 0.000 -8.862) 8.862 7.982 ( 0.000 0.000 8.862) 8.862 8.440 ( 0.000 0.000 -13.550) 13.550 8.440 ( 0.000 0.000 13.550) 13.550 8.609 ( 0.000 0.000 -0.885) 0.885 8.609 ( 0.000 0.000 0.885) 0.885 9.589 ( 0.000 0.000 -4.180) 4.180 9.589 ( 0.000 0.000 4.180) 4.180 9.851 ( 0.000 0.000 -0.492) 0.492 9.851 ( 0.000 0.000 0.492) 0.492 10.529 ( 0.000 0.000 -6.485) 6.485 10.529 ( 0.000 0.000 6.485) 6.485 10.786 ( 0.000 0.000 -4.146) 4.146 10.786 ( 0.000 0.000 4.146) 4.146 11.221 ( 0.000 0.000 -5.488) 5.488 11.221 ( 0.000 0.000 5.488) 5.488 12.173 ( 0.000 0.000 -8.686) 8.686 12.173 ( 0.000 0.000 8.686) 8.686 12.529 ( 0.000 0.000 -4.565) 4.565 12.529 ( 0.000 0.000 4.565) 4.565 14.352 ( 0.000 0.000 -13.893) 13.893 14.352 ( 0.000 0.000 13.893) 13.893 15.111 ( 0.000 0.000 -2.306) 2.306 15.111 ( 0.000 0.000 2.306) 2.306======================= Grid point 380 (122/140) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.646 ( -11.802 0.000 -11.779) 16.674 2.646 ( -11.802 0.000 11.779) 16.674 2.841 ( 1.598 0.000 -15.619) 15.701 2.841 ( 1.598 0.000 15.619) 15.701 3.465 ( 2.367 0.000 -6.998) 7.388 3.465 ( 2.367 0.000 6.998) 7.388 4.269 ( 1.714 0.000 -4.097) 4.441 4.269 ( 1.714 0.000 4.097) 4.441 4.290 ( 5.566 0.000 -10.427) 11.819 4.290 ( 5.566 0.000 10.427) 11.819 5.061 ( -0.297 0.000 -13.235) 13.238 5.061 ( -0.297 0.000 13.235) 13.238 5.105 ( 2.608 0.000 -3.995) 4.771 5.105 ( 2.608 0.000 3.995) 4.771 5.816 ( 1.159 0.000 -4.406) 4.555 5.816 ( 1.159 0.000 4.406) 4.555 6.196 ( -0.054 0.000 -22.749) 22.749 6.196 ( -0.054 0.000 22.749) 22.749 6.581 ( -1.845 0.000 -2.394) 3.022 6.581 ( -1.845 0.000 2.394) 3.022 6.647 ( -3.631 0.000 -2.382) 4.343 6.647 ( -3.631 0.000 2.382) 4.343 7.801 ( -8.906 0.000 -10.447) 13.728 7.801 ( -8.906 0.000 10.447) 13.728 7.912 ( -6.073 0.000 -7.574) 9.708 7.912 ( -6.073 0.000 7.574) 9.708 8.559 ( 8.404 0.000 -11.406) 14.167 8.559 ( 8.404 0.000 11.406) 14.167 8.706 ( 8.486 0.000 -2.926) 8.976 8.706 ( 8.486 0.000 2.926) 8.976 9.595 ( 0.592 0.000 -3.754) 3.801 9.595 ( 0.592 0.000 3.754) 3.801 9.868 ( 1.721 0.000 -2.684) 3.189 9.868 ( 1.721 0.000 2.684) 3.189 10.459 ( -5.656 0.000 -4.941) 7.511 10.459 ( -5.656 0.000 4.941) 7.511 10.823 ( 2.650 0.000 -4.962) 5.625 10.823 ( 2.650 0.000 4.962) 5.625 11.201 ( -1.965 0.000 -5.243) 5.599 11.201 ( -1.965 0.000 5.243) 5.599 12.191 ( 1.689 0.000 -7.979) 8.156 12.191 ( 1.689 0.000 7.979) 8.156 12.523 ( -0.571 0.000 -4.291) 4.328 12.523 ( -0.571 0.000 4.291) 4.328 14.378 ( 2.575 0.000 -13.194) 13.443 14.378 ( 2.575 0.000 13.194) 13.443 15.078 ( -3.219 0.000 -2.848) 4.298 15.078 ( -3.219 0.000 2.848) 4.298======================= Grid point 382 (123/140) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.440 ( -7.581 0.000 -13.624) 15.591 2.440 ( -7.581 0.000 13.624) 15.591 2.881 ( 2.155 0.000 -12.083) 12.274 2.881 ( 2.155 0.000 12.083) 12.274 3.363 ( -11.813 0.000 -5.623) 13.083 3.363 ( -11.813 0.000 5.623) 13.083 4.315 ( 2.731 0.000 -5.211) 5.883 4.315 ( 2.731 0.000 5.211) 5.883 4.511 ( 15.434 0.000 -4.519) 16.082 4.511 ( 15.434 0.000 4.519) 16.082 5.053 ( -0.482 0.000 -10.093) 10.105 5.053 ( -0.482 0.000 10.093) 10.105 5.173 ( 3.679 0.000 -2.014) 4.194 5.173 ( 3.679 0.000 2.014) 4.194 5.847 ( 2.049 0.000 -5.594) 5.957 5.847 ( 2.049 0.000 5.594) 5.957 6.182 ( -1.584 0.000 -20.467) 20.528 6.182 ( -1.584 0.000 20.467) 20.528 6.498 ( -6.826 0.000 -4.366) 8.103 6.498 ( -6.826 0.000 4.366) 8.103 6.574 ( -2.957 0.000 -1.055) 3.139 6.574 ( -2.957 0.000 1.055) 3.139 7.674 ( -3.004 0.000 -10.415) 10.840 7.674 ( -3.004 0.000 10.415) 10.840 7.777 ( -6.818 0.000 -6.494) 9.416 7.777 ( -6.818 0.000 6.494) 9.416 8.681 ( 3.075 0.000 -7.959) 8.532 8.681 ( 3.075 0.000 7.959) 8.532 8.893 ( 9.249 0.000 -4.528) 10.298 8.893 ( 9.249 0.000 4.528) 10.298 9.613 ( 1.147 0.000 -2.756) 2.985 9.613 ( 1.147 0.000 2.756) 2.985 9.917 ( 3.072 0.000 -3.950) 5.005 9.917 ( 3.072 0.000 3.950) 5.005 10.351 ( -4.448 0.000 -2.755) 5.232 10.351 ( -4.448 0.000 2.755) 5.232 10.866 ( 1.593 0.000 -4.178) 4.472 10.866 ( 1.593 0.000 4.178) 4.472 11.147 ( -3.307 0.000 -4.369) 5.480 11.147 ( -3.307 0.000 4.369) 5.480 12.233 ( 2.264 0.000 -6.062) 6.471 12.233 ( 2.264 0.000 6.062) 6.471 12.509 ( -0.783 0.000 -3.415) 3.503 12.509 ( -0.783 0.000 3.415) 3.503 14.449 ( 4.365 0.000 -11.400) 12.207 14.449 ( 4.365 0.000 11.400) 12.207 14.990 ( -5.423 0.000 -4.016) 6.748 14.990 ( -5.423 0.000 4.016) 6.748======================= Grid point 384 (124/140) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.369 ( 0.334 0.000 -11.267) 11.272 2.369 ( 0.334 0.000 11.267) 11.272 2.918 ( 1.448 0.000 -6.605) 6.762 2.918 ( 1.448 0.000 6.605) 6.762 3.082 ( -14.168 0.000 -6.838) 15.732 3.082 ( -14.168 0.000 6.838) 15.732 4.367 ( 2.200 0.000 -3.843) 4.428 4.367 ( 2.200 0.000 3.843) 4.428 4.828 ( 14.883 0.000 -1.525) 14.961 4.828 ( 14.883 0.000 1.525) 14.961 5.043 ( -0.407 0.000 -5.433) 5.449 5.043 ( -0.407 0.000 5.433) 5.449 5.215 ( -0.375 0.000 -0.799) 0.882 5.215 ( -0.375 0.000 0.799) 0.882 5.906 ( 4.080 0.000 -6.632) 7.786 5.906 ( 4.080 0.000 6.632) 7.786 6.137 ( -2.437 0.000 -12.142) 12.385 6.137 ( -2.437 0.000 12.142) 12.385 6.328 ( -9.286 0.000 -5.677) 10.884 6.328 ( -9.286 0.000 5.677) 10.884 6.544 ( -0.343 0.000 -0.912) 0.974 6.544 ( -0.343 0.000 0.912) 0.974 7.661 ( -4.495 0.000 -4.301) 6.222 7.661 ( -4.495 0.000 4.301) 6.222 7.671 ( 1.697 0.000 -5.946) 6.183 7.671 ( 1.697 0.000 5.946) 6.183 8.687 ( -1.562 0.000 -4.252) 4.530 8.687 ( -1.562 0.000 4.252) 4.530 9.043 ( 5.450 0.000 -3.272) 6.357 9.043 ( 5.450 0.000 3.272) 6.357 9.635 ( 0.855 0.000 -1.522) 1.746 9.635 ( 0.855 0.000 1.522) 1.746 9.980 ( 2.872 0.000 -2.923) 4.098 9.980 ( 2.872 0.000 2.923) 4.098 10.294 ( -1.482 0.000 -1.227) 1.925 10.294 ( -1.482 0.000 1.227) 1.925 10.887 ( 0.536 0.000 -2.235) 2.298 10.887 ( 0.536 0.000 2.235) 2.298 11.082 ( -2.873 0.000 -2.609) 3.880 11.082 ( -2.873 0.000 2.609) 3.880 12.272 ( 1.532 0.000 -3.283) 3.622 12.272 ( 1.532 0.000 3.283) 3.622 12.495 ( -0.536 0.000 -1.915) 1.989 12.495 ( -0.536 0.000 1.915) 1.989 14.543 ( 4.787 0.000 -8.501) 9.756 14.543 ( 4.787 0.000 8.501) 9.756 14.875 ( -5.632 0.000 -4.735) 7.357 14.875 ( -5.632 0.000 4.735) 7.357======================= Grid point 386 (125/140) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.396 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.911 ( -0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 5.023 ( -0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.975 ( -0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.109 ( -0.000 0.000 0.000) 0.000 6.109 ( 0.000 0.000 0.000) 0.000 6.203 ( -0.000 0.000 -0.000) 0.000 6.203 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.098 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 9.643 ( 0.000 0.000 0.000) 0.000 10.012 ( -0.000 0.000 0.000) 0.000 10.012 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.281 ( 0.000 0.000 0.000) 0.000 10.891 ( 0.000 0.000 0.000) 0.000 10.891 ( 0.000 0.000 0.000) 0.000 11.050 ( 0.000 0.000 0.000) 0.000 11.050 ( 0.000 0.000 0.000) 0.000 12.288 ( 0.000 0.000 0.000) 0.000 12.288 ( 0.000 0.000 0.000) 0.000 12.489 ( 0.000 0.000 0.000) 0.000 12.489 ( 0.000 0.000 0.000) 0.000 14.606 ( 0.000 0.000 0.000) 0.000 14.606 ( 0.000 0.000 0.000) 0.000 14.804 ( 0.000 0.000 0.000) 0.000 14.804 ( 0.000 0.000 0.000) 0.000======================= Grid point 396 (126/140) =======================q-point: ( 0.00 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.627 ( 0.000 -7.172 -3.052) 7.794 2.627 ( 0.000 -7.172 3.052) 7.794 3.021 ( 0.000 9.222 -6.069) 11.040 3.021 ( 0.000 9.222 6.069) 11.040 3.430 ( 0.000 3.739 -9.592) 10.295 3.430 ( 0.000 3.739 9.592) 10.295 4.222 ( 0.000 -2.409 -12.521) 12.750 4.222 ( 0.000 -2.409 12.521) 12.750 4.295 ( 0.000 2.802 -5.222) 5.926 4.295 ( 0.000 2.802 5.222) 5.926 4.875 ( 0.000 -7.484 -15.454) 17.170 4.875 ( 0.000 -7.484 15.454) 17.170 5.244 ( 0.000 6.151 -4.984) 7.917 5.244 ( 0.000 6.151 4.984) 7.917 5.800 ( 0.000 -0.376 -3.832) 3.850 5.800 ( 0.000 -0.376 3.832) 3.850 6.171 ( 0.000 -2.544 -23.026) 23.166 6.171 ( 0.000 -2.544 23.026) 23.166 6.400 ( 0.000 -8.867 -2.912) 9.333 6.400 ( 0.000 -8.867 2.912) 9.333 6.917 ( 0.000 12.275 -4.928) 13.227 6.917 ( 0.000 12.275 4.928) 13.227 7.738 ( 0.000 -11.193 -0.567) 11.207 7.738 ( 0.000 -11.193 0.567) 11.207 8.081 ( 0.000 3.437 -6.132) 7.029 8.081 ( 0.000 3.437 6.132) 7.029 8.412 ( 0.000 -1.823 -8.880) 9.066 8.412 ( 0.000 -1.823 8.880) 9.066 8.680 ( 0.000 5.442 -2.164) 5.857 8.680 ( 0.000 5.442 2.164) 5.857 9.483 ( 0.000 -7.714 -5.290) 9.353 9.483 ( 0.000 -7.714 5.290) 9.353 9.906 ( 0.000 3.730 -1.331) 3.961 9.906 ( 0.000 3.730 1.331) 3.961 10.554 ( 0.000 -0.082 -2.598) 2.599 10.554 ( 0.000 -0.082 2.598) 2.599 10.751 ( 0.000 -0.218 -1.363) 1.380 10.751 ( 0.000 -0.218 1.363) 1.380 11.320 ( 0.000 7.350 -4.693) 8.721 11.320 ( 0.000 7.350 4.693) 8.721 12.121 ( 0.000 -2.242 -8.546) 8.836 12.121 ( 0.000 -2.242 8.546) 8.836 12.654 ( 0.000 8.906 -4.431) 9.947 12.654 ( 0.000 8.906 4.431) 9.947 14.305 ( 0.000 -3.990 -12.890) 13.493 14.305 ( 0.000 -3.990 12.890) 13.493 15.076 ( 0.000 -3.220 -2.408) 4.021 15.076 ( 0.000 -3.220 2.408) 4.021======================= Grid point 398 (127/140) =======================q-point: ( 0.12 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( -6.865 -5.266 -8.173) 11.902 2.553 ( -6.865 -5.266 8.173) 11.902 2.969 ( -2.504 8.545 -12.221) 15.121 2.969 ( -2.504 8.545 12.221) 15.121 3.487 ( 1.023 1.776 -6.862) 7.162 3.487 ( 1.023 1.776 6.862) 7.162 4.221 ( 2.083 -1.542 -7.740) 8.163 4.221 ( 2.083 -1.542 7.740) 8.163 4.364 ( 6.065 2.748 -7.893) 10.327 4.364 ( 6.065 2.748 7.893) 10.327 4.878 ( 0.268 -7.477 -14.185) 16.037 4.878 ( 0.268 -7.477 14.185) 16.037 5.260 ( 1.799 6.189 -4.689) 7.970 5.260 ( 1.799 6.189 4.689) 7.970 5.805 ( 0.352 -1.227 -3.760) 3.971 5.805 ( 0.352 -1.227 3.760) 3.971 6.168 ( -0.393 -2.892 -21.434) 21.631 6.168 ( -0.393 -2.892 21.434) 21.631 6.407 ( 0.428 -7.311 -3.737) 8.222 6.407 ( 0.428 -7.311 3.737) 8.222 6.855 ( -5.934 10.732 -4.651) 13.115 6.855 ( -5.934 10.732 4.651) 13.115 7.674 ( -4.930 -8.638 -4.666) 10.986 7.674 ( -4.930 -8.638 4.666) 10.986 7.981 ( -7.410 3.743 -8.067) 11.576 7.981 ( -7.410 3.743 8.067) 11.576 8.532 ( 8.715 -2.068 -7.667) 11.790 8.532 ( 8.715 -2.068 7.667) 11.790 8.760 ( 7.049 4.304 -1.978) 8.493 8.760 ( 7.049 4.304 1.978) 8.493 9.485 ( 0.287 -8.049 -4.338) 9.148 9.485 ( 0.287 -8.049 4.338) 9.148 9.922 ( 1.609 3.641 -0.814) 4.063 9.922 ( 1.609 3.641 0.814) 4.063 10.496 ( -4.799 1.744 -3.244) 6.050 10.496 ( -4.799 1.744 3.244) 6.050 10.769 ( 1.153 -2.461 -4.818) 5.532 10.769 ( 1.153 -2.461 4.818) 5.532 11.287 ( -3.179 5.986 -4.039) 7.890 11.287 ( -3.179 5.986 4.039) 7.890 12.160 ( 3.728 -0.428 -7.515) 8.400 12.160 ( 3.728 -0.428 7.515) 8.400 12.653 ( -0.167 9.531 -4.475) 10.530 12.653 ( -0.167 9.531 4.475) 10.530 14.328 ( 2.290 -4.325 -12.347) 13.282 14.328 ( 2.290 -4.325 12.347) 13.282 15.041 ( -3.381 -3.375 -2.917) 5.598 15.041 ( -3.381 -3.375 2.917) 5.598======================= Grid point 400 (128/140) =======================q-point: ( 0.25 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.415 ( -5.425 -1.592 -11.270) 12.608 2.415 ( -5.425 -1.592 11.270) 12.608 2.950 ( -0.116 5.661 -10.923) 12.303 2.950 ( -0.116 5.661 10.923) 12.303 3.375 ( -11.235 1.055 -5.428) 12.522 3.375 ( -11.235 1.055 5.428) 12.522 4.308 ( 5.209 0.232 -2.587) 5.820 4.308 ( 5.209 0.232 2.587) 5.820 4.540 ( 11.146 -0.869 -4.615) 12.095 4.540 ( 11.146 -0.869 4.615) 12.095 4.892 ( 1.656 -5.578 -11.095) 12.528 4.892 ( 1.656 -5.578 11.095) 12.528 5.315 ( 3.334 6.569 -3.654) 8.223 5.315 ( 3.334 6.569 3.654) 8.223 5.810 ( 0.144 -3.785 -4.888) 6.184 5.810 ( 0.144 -3.785 4.888) 6.184 6.153 ( -1.088 -2.530 -16.662) 16.888 6.153 ( -1.088 -2.530 16.662) 16.888 6.399 ( -1.883 -4.237 -4.577) 6.515 6.399 ( -1.883 -4.237 4.577) 6.515 6.709 ( -7.532 7.776 -3.758) 11.459 6.709 ( -7.532 7.776 3.758) 11.459 7.594 ( -2.832 -5.848 -6.254) 9.018 7.594 ( -2.832 -5.848 6.254) 9.018 7.847 ( -5.157 5.043 -5.362) 8.987 7.847 ( -5.157 5.043 5.362) 8.987 8.666 ( 3.642 -1.489 -6.623) 7.703 8.666 ( 3.642 -1.489 6.623) 7.703 8.917 ( 7.976 2.192 -2.772) 8.723 8.917 ( 7.976 2.192 2.772) 8.724 9.499 ( 1.204 -8.440 -2.184) 8.801 9.499 ( 1.204 -8.440 2.184) 8.801 9.969 ( 3.073 3.432 -0.769) 4.671 9.969 ( 3.073 3.432 0.769) 4.671 10.403 ( -3.911 3.746 -1.969) 5.762 10.403 ( -3.911 3.746 1.969) 5.762 10.778 ( -0.386 -5.721 -4.504) 7.292 10.778 ( -0.386 -5.721 4.504) 7.292 11.205 ( -4.730 3.245 -2.641) 6.314 11.205 ( -4.730 3.245 2.641) 6.315 12.258 ( 5.764 3.764 -5.486) 8.803 12.258 ( 5.764 3.764 5.486) 8.803 12.641 ( -1.188 10.443 -4.435) 11.408 12.641 ( -1.188 10.443 4.435) 11.408 14.392 ( 4.111 -4.967 -10.876) 12.644 14.392 ( 4.111 -4.967 10.876) 12.644 14.949 ( -5.710 -3.806 -4.035) 7.960 14.949 ( -5.710 -3.806 4.035) 7.960======================= Grid point 402 (129/140) =======================q-point: ( 0.38 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.376 ( 1.577 0.778 -9.892) 10.047 2.376 ( 1.577 0.778 9.892) 10.047 2.917 ( -4.990 0.110 -4.995) 7.061 2.917 ( -4.990 0.110 4.995) 7.061 3.144 ( -8.469 5.341 -6.049) 11.698 3.144 ( -8.469 5.341 6.049) 11.698 4.396 ( 3.355 2.944 -4.036) 6.018 4.396 ( 3.355 2.944 4.036) 6.018 4.717 ( 4.686 -13.794 -1.061) 14.606 4.717 ( 4.686 -13.794 1.061) 14.606 4.981 ( 7.629 3.660 -5.960) 10.349 4.981 ( 7.629 3.660 5.960) 10.350 5.363 ( 0.650 7.407 -2.251) 7.768 5.363 ( 0.650 7.407 2.251) 7.768 5.816 ( 0.596 -7.998 -5.360) 9.646 5.816 ( 0.596 -7.998 5.360) 9.646 6.137 ( 0.021 -0.164 -9.345) 9.346 6.137 ( 0.021 -0.164 9.345) 9.346 6.310 ( -6.746 -1.173 -3.585) 7.729 6.310 ( -6.746 -1.173 3.585) 7.729 6.610 ( -2.124 5.606 -1.666) 6.222 6.610 ( -2.124 5.606 1.666) 6.222 7.542 ( -2.613 -6.444 -3.544) 7.805 7.542 ( -2.613 -6.444 3.544) 7.805 7.801 ( 0.306 7.419 -0.653) 7.454 7.801 ( 0.306 7.419 0.653) 7.454 8.676 ( -1.697 -1.287 -3.939) 4.478 8.676 ( -1.697 -1.287 3.939) 4.478 9.052 ( 5.120 0.925 -2.502) 5.774 9.052 ( 5.120 0.925 2.502) 5.774 9.527 ( 1.286 -7.901 -0.535) 8.023 9.527 ( 1.286 -7.901 0.535) 8.023 10.034 ( 2.990 3.066 -0.887) 4.373 10.034 ( 2.990 3.066 0.887) 4.373 10.354 ( -0.999 5.416 -0.685) 5.550 10.354 ( -0.999 5.416 0.685) 5.550 10.756 ( -1.635 -9.034 -2.463) 9.505 10.756 ( -1.635 -9.034 2.463) 9.505 11.118 ( -3.481 1.042 -1.164) 3.815 11.118 ( -3.481 1.042 1.164) 3.815 12.375 ( 5.633 8.811 -3.780) 11.119 12.375 ( 5.633 8.811 3.780) 11.119 12.603 ( -2.643 9.709 -3.885) 10.786 12.603 ( -2.643 9.709 3.885) 10.786 14.484 ( 4.774 -5.299 -8.263) 10.915 14.484 ( 4.774 -5.299 8.263) 10.915 14.828 ( -5.941 -4.394 -4.720) 8.768 14.828 ( -5.941 -4.394 4.720) 8.768======================= Grid point 404 (130/140) =======================q-point: (-0.50 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.420 ( 0.000 2.255 0.000) 2.255 2.420 ( 0.000 2.255 0.000) 2.255 2.814 ( -0.000 -3.688 0.000) 3.688 2.814 ( 0.000 -3.688 0.000) 3.688 3.079 ( -0.000 8.163 0.000) 8.163 3.079 ( 0.000 8.163 0.000) 8.163 4.431 ( 0.000 4.231 -0.000) 4.231 4.431 ( 0.000 4.231 0.000) 4.231 4.752 ( 0.000 -18.132 0.000) 18.132 4.752 ( 0.000 -18.132 0.000) 18.132 5.093 ( -0.000 6.150 0.000) 6.150 5.093 ( 0.000 6.150 0.000) 6.150 5.351 ( 0.000 7.880 0.000) 7.880 5.351 ( 0.000 7.880 0.000) 7.880 5.826 ( -0.000 -10.646 0.000) 10.646 5.826 ( 0.000 -10.646 0.000) 10.646 6.172 ( -0.000 2.922 0.000) 2.922 6.172 ( 0.000 2.922 0.000) 2.922 6.192 ( -0.000 -0.889 -0.000) 0.889 6.192 ( 0.000 -0.889 -0.000) 0.889 6.596 ( 0.000 4.836 0.000) 4.836 6.596 ( 0.000 4.836 0.000) 4.836 7.511 ( 0.000 -6.742 0.000) 6.742 7.511 ( 0.000 -6.742 0.000) 6.742 7.814 ( 0.000 8.113 0.000) 8.113 7.814 ( 0.000 8.113 0.000) 8.113 8.649 ( 0.000 -1.554 -0.000) 1.554 8.649 ( 0.000 -1.554 0.000) 1.554 9.105 ( 0.000 0.697 0.000) 0.697 9.105 ( 0.000 0.697 0.000) 0.697 9.541 ( 0.000 -7.444 0.000) 7.444 9.541 ( 0.000 -7.444 0.000) 7.444 10.067 ( 0.000 2.730 0.000) 2.730 10.067 ( 0.000 2.730 0.000) 2.730 10.349 ( -0.000 6.788 0.000) 6.788 10.349 ( 0.000 6.788 0.000) 6.788 10.734 ( 0.000 -11.094 0.000) 11.094 10.734 ( 0.000 -11.094 0.000) 11.094 11.082 ( 0.000 0.264 0.000) 0.264 11.082 ( 0.000 0.264 0.000) 0.264 12.449 ( 0.000 13.680 0.000) 13.680 12.449 ( -0.000 13.680 0.000) 13.680 12.560 ( -0.000 6.451 0.000) 6.451 12.560 ( 0.000 6.451 0.000) 6.451 14.547 ( -0.000 -5.243 0.000) 5.243 14.547 ( 0.000 -5.243 0.000) 5.243 14.752 ( -0.000 -4.787 0.000) 4.787 14.752 ( 0.000 -4.787 0.000) 4.787======================= Grid point 414 (131/140) =======================q-point: ( 0.00 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.524 ( 0.000 -2.539 -0.674) 2.627 2.524 ( 0.000 -2.539 0.674) 2.627 3.173 ( 0.000 4.405 -6.791) 8.095 3.173 ( 0.000 4.405 6.791) 8.095 3.533 ( 0.000 6.027 -11.616) 13.086 3.533 ( 0.000 6.027 11.616) 13.086 4.183 ( 0.000 -0.885 -9.422) 9.463 4.183 ( 0.000 -0.885 9.422) 9.463 4.278 ( 0.000 -5.356 -0.781) 5.413 4.278 ( 0.000 -5.356 0.781) 5.413 4.838 ( 0.000 4.747 -11.320) 12.275 4.838 ( 0.000 4.747 11.320) 12.275 5.315 ( 0.000 0.290 -2.966) 2.980 5.315 ( 0.000 0.290 2.966) 2.980 5.786 ( 0.000 -1.017 -3.309) 3.461 5.786 ( 0.000 -1.017 3.309) 3.462 6.082 ( 0.000 -5.147 -13.821) 14.748 6.082 ( 0.000 -5.147 13.821) 14.748 6.278 ( 0.000 -3.116 -0.309) 3.132 6.278 ( 0.000 -3.116 0.309) 3.132 7.144 ( 0.000 8.727 -4.776) 9.948 7.144 ( 0.000 8.727 4.776) 9.948 7.511 ( 0.000 -9.526 -1.531) 9.648 7.511 ( 0.000 -9.526 1.531) 9.648 8.129 ( 0.000 1.864 -6.831) 7.081 8.129 ( 0.000 1.864 6.831) 7.081 8.373 ( 0.000 -2.005 -4.614) 5.030 8.373 ( 0.000 -2.005 4.614) 5.030 8.799 ( 0.000 5.339 -3.899) 6.611 8.799 ( 0.000 5.339 3.899) 6.611 9.327 ( 0.000 -6.485 -6.615) 9.264 9.327 ( 0.000 -6.485 6.615) 9.264 9.979 ( 0.000 2.994 -3.015) 4.249 9.979 ( 0.000 2.994 3.015) 4.249 10.496 ( 0.000 -3.538 -4.140) 5.446 10.496 ( 0.000 -3.538 4.140) 5.446 10.817 ( 0.000 4.680 -2.735) 5.420 10.817 ( 0.000 4.680 2.735) 5.420 11.441 ( 0.000 2.708 -2.580) 3.740 11.441 ( 0.000 2.708 2.580) 3.740 12.168 ( 0.000 7.716 -9.813) 12.483 12.168 ( 0.000 7.716 9.813) 12.483 12.797 ( 0.000 2.713 -0.853) 2.844 12.797 ( 0.000 2.713 0.853) 2.844 14.222 ( 0.000 -2.736 -8.793) 9.209 14.222 ( 0.000 -2.736 8.793) 9.209 14.984 ( 0.000 -5.129 -2.367) 5.649 14.984 ( 0.000 -5.129 2.367) 5.649======================= Grid point 416 (132/140) =======================q-point: ( 0.12 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.479 ( -4.088 -1.601 -4.509) 6.294 2.479 ( -4.088 -1.601 4.509) 6.294 3.130 ( -3.102 5.584 -8.104) 10.319 3.130 ( -3.102 5.584 8.104) 10.319 3.534 ( -1.962 3.233 -8.308) 9.128 3.534 ( -1.962 3.233 8.308) 9.128 4.204 ( 1.919 -2.201 -6.743) 7.348 4.204 ( 1.919 -2.201 6.743) 7.348 4.326 ( 5.263 -4.316 -2.589) 7.282 4.326 ( 5.263 -4.316 2.589) 7.282 4.861 ( 2.329 5.903 -9.760) 11.641 4.861 ( 2.329 5.903 9.760) 11.641 5.335 ( 2.174 0.694 -3.228) 3.953 5.335 ( 2.174 0.694 3.228) 3.953 5.756 ( -2.808 -3.397 -3.111) 5.394 5.756 ( -2.808 -3.397 3.111) 5.394 6.082 ( 0.318 -4.300 -12.284) 13.018 6.082 ( 0.318 -4.300 12.284) 13.018 6.312 ( 2.589 -2.264 -5.705) 6.662 6.312 ( 2.589 -2.264 5.705) 6.662 7.052 ( -8.393 7.615 -5.011) 12.391 7.052 ( -8.393 7.615 5.011) 12.391 7.491 ( -1.518 -7.990 -1.806) 8.331 7.491 ( -1.518 -7.990 1.806) 8.331 8.056 ( -5.424 3.663 -7.064) 9.630 8.056 ( -5.424 3.663 7.064) 9.630 8.480 ( 8.239 -2.845 -4.025) 9.600 8.480 ( 8.239 -2.845 4.025) 9.600 8.858 ( 5.274 4.561 -3.751) 7.918 8.858 ( 5.274 4.561 3.751) 7.918 9.321 ( -0.469 -6.904 -5.902) 9.095 9.321 ( -0.469 -6.904 5.902) 9.095 9.993 ( 1.421 2.932 -2.681) 4.219 9.993 ( 1.421 2.932 2.681) 4.219 10.483 ( -1.308 -2.165 -3.760) 4.532 10.483 ( -1.308 -2.165 3.760) 4.532 10.781 ( -3.309 2.716 -3.865) 5.768 10.781 ( -3.309 2.716 3.865) 5.768 11.378 ( -5.752 1.900 -1.682) 6.287 11.378 ( -5.752 1.900 1.682) 6.287 12.244 ( 6.971 8.750 -8.849) 14.264 12.244 ( 6.971 8.750 8.849) 14.264 12.820 ( 1.991 4.279 -1.457) 4.939 12.820 ( 1.991 4.279 1.457) 4.939 14.233 ( 1.171 -3.511 -8.690) 9.445 14.233 ( 1.171 -3.511 8.690) 9.445 14.945 ( -3.847 -5.410 -2.779) 7.197 14.945 ( -3.847 -5.410 2.779) 7.197======================= Grid point 418 (133/140) =======================q-point: ( 0.25 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.400 ( -2.631 0.461 -6.897) 7.396 2.400 ( -2.631 0.461 6.897) 7.396 3.066 ( -4.181 3.860 -6.641) 8.746 3.066 ( -4.181 3.860 6.641) 8.746 3.422 ( -8.067 4.550 -5.792) 10.924 3.422 ( -8.067 4.550 5.792) 10.924 4.254 ( 3.038 -10.568 -5.395) 12.248 4.254 ( 3.038 -10.568 5.395) 12.248 4.463 ( 6.942 1.174 -7.060) 9.970 4.463 ( 6.942 1.174 7.060) 9.970 4.944 ( 6.490 7.636 -6.951) 12.196 4.944 ( 6.490 7.636 6.951) 12.196 5.400 ( 4.085 1.351 -3.298) 5.421 5.400 ( 4.085 1.351 3.298) 5.421 5.683 ( -4.290 -7.782 -4.142) 9.804 5.683 ( -4.290 -7.782 4.142) 9.804 6.099 ( 1.300 -2.085 -8.767) 9.104 6.099 ( 1.299 -2.085 8.767) 9.104 6.343 ( -0.312 -1.470 -6.330) 6.506 6.343 ( -0.312 -1.470 6.330) 6.506 6.869 ( -8.436 7.328 -4.873) 12.191 6.869 ( -8.436 7.328 4.873) 12.191 7.453 ( -2.613 -7.200 -5.082) 9.192 7.453 ( -2.613 -7.200 5.082) 9.192 7.970 ( -2.272 6.352 -4.053) 7.870 7.970 ( -2.272 6.352 4.053) 7.870 8.616 ( 4.038 -3.160 -4.027) 6.520 8.616 ( 4.038 -3.160 4.027) 6.520 8.977 ( 6.089 3.298 -1.730) 7.138 8.977 ( 6.089 3.298 1.730) 7.138 9.324 ( 1.152 -7.542 -4.062) 8.643 9.324 ( 1.152 -7.542 4.062) 8.643 10.033 ( 2.488 2.545 -1.934) 4.051 10.033 ( 2.488 2.545 1.934) 4.051 10.453 ( -1.246 0.367 -2.509) 2.825 10.453 ( -1.246 0.367 2.509) 2.825 10.702 ( -4.305 -0.882 -4.397) 6.217 10.702 ( -4.305 -0.882 4.397) 6.217 11.240 ( -7.594 0.136 -0.595) 7.619 11.240 ( -7.594 0.136 0.595) 7.619 12.414 ( 9.546 10.651 -7.622) 16.207 12.414 ( 9.546 10.651 7.622) 16.207 12.856 ( 1.128 7.902 -2.878) 8.485 12.856 ( 1.128 7.902 2.878) 8.485 14.273 ( 2.873 -5.288 -8.280) 10.236 14.273 ( 2.873 -5.288 8.280) 10.236 14.839 ( -6.547 -6.208 -3.731) 9.763 14.839 ( -6.547 -6.208 3.731) 9.763======================= Grid point 420 (134/140) =======================q-point: ( 0.38 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.408 ( 3.675 2.282 -6.712) 7.986 2.408 ( 3.675 2.282 6.712) 7.986 2.916 ( -10.795 -0.565 -4.021) 11.534 2.916 ( -10.795 -0.565 4.021) 11.534 3.298 ( -3.327 9.480 -5.363) 11.388 3.298 ( -3.327 9.480 5.363) 11.388 4.313 ( 2.466 -17.543 -4.243) 18.217 4.313 ( 2.466 -17.543 4.243) 18.217 4.559 ( 2.699 7.088 -4.184) 8.662 4.559 ( 2.699 7.088 4.184) 8.662 5.115 ( 9.785 7.062 -3.851) 12.667 5.115 ( 9.785 7.062 3.851) 12.667 5.460 ( 0.232 0.937 -2.066) 2.280 5.460 ( 0.232 0.937 2.066) 2.280 5.607 ( -2.177 -10.125 -3.251) 10.855 5.607 ( -2.177 -10.125 3.251) 10.855 6.131 ( 1.975 -0.274 -5.141) 5.514 6.131 ( 1.975 -0.274 5.141) 5.514 6.287 ( -4.773 -0.976 -3.829) 6.196 6.287 ( -4.773 -0.976 3.829) 6.196 6.759 ( -2.648 8.194 -3.263) 9.209 6.759 ( -2.648 8.194 3.263) 9.209 7.388 ( -3.438 -8.131 -4.593) 9.951 7.388 ( -3.438 -8.131 4.593) 9.951 7.977 ( 2.318 8.932 -0.990) 9.281 7.977 ( 2.318 8.932 0.990) 9.281 8.623 ( -2.412 -3.796 -2.885) 5.344 8.623 ( -2.412 -3.796 2.885) 5.344 9.085 ( 4.363 2.205 -0.748) 4.945 9.085 ( 4.363 2.205 0.748) 4.945 9.363 ( 2.247 -7.040 -2.145) 7.695 9.363 ( 2.247 -7.040 2.145) 7.695 10.082 ( 2.105 1.914 -1.155) 3.070 10.082 ( 2.105 1.914 1.155) 3.070 10.452 ( 1.460 -0.090 -0.581) 1.574 10.452 ( 1.460 -0.090 0.581) 1.574 10.615 ( -4.507 -0.689 -2.931) 5.420 10.615 ( -4.507 -0.689 2.931) 5.420 11.101 ( -5.674 -2.307 -0.228) 6.130 11.101 ( -5.674 -2.307 0.228) 6.130 12.602 ( 8.960 12.017 -6.724) 16.429 12.602 ( 8.960 12.017 6.724) 16.429 12.847 ( -2.318 11.401 -4.457) 12.459 12.847 ( -2.318 11.401 4.457) 12.459 14.347 ( 4.441 -6.642 -6.912) 10.565 14.347 ( 4.441 -6.642 6.912) 10.565 14.700 ( -6.924 -7.377 -4.394) 11.030 14.700 ( -6.924 -7.377 4.394) 11.030======================= Grid point 422 (135/140) =======================q-point: (-0.50 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.489 ( -0.000 4.147 0.000) 4.147 2.489 ( 0.000 4.147 0.000) 4.147 2.754 ( -0.000 -2.587 0.000) 2.587 2.754 ( 0.000 -2.587 0.000) 2.587 3.271 ( -0.000 10.488 0.000) 10.488 3.271 ( 0.000 10.488 0.000) 10.488 4.339 ( 0.000 -20.514 0.000) 20.514 4.339 ( 0.000 -20.514 0.000) 20.514 4.583 ( 0.000 10.266 0.000) 10.266 4.583 ( 0.000 10.266 0.000) 10.266 5.251 ( -0.000 8.166 0.000) 8.166 5.251 ( -0.000 8.166 0.000) 8.166 5.419 ( 0.000 -4.067 0.000) 4.067 5.419 ( 0.000 -4.067 0.000) 4.067 5.601 ( 0.000 -7.877 0.000) 7.877 5.601 ( 0.000 -7.877 0.000) 7.877 6.176 ( -0.000 -0.469 0.000) 0.469 6.176 ( 0.000 -0.469 0.000) 0.469 6.205 ( -0.000 0.326 -0.000) 0.326 6.205 ( 0.000 0.326 -0.000) 0.326 6.738 ( -0.000 8.433 -0.000) 8.433 6.738 ( 0.000 8.433 0.000) 8.433 7.348 ( 0.000 -8.686 0.000) 8.686 7.348 ( 0.000 -8.686 0.000) 8.686 8.012 ( 0.000 10.382 0.000) 10.382 8.012 ( 0.000 10.382 0.000) 10.382 8.585 ( 0.000 -4.802 -0.000) 4.802 8.585 ( 0.000 -4.802 0.000) 4.802 9.131 ( 0.000 1.890 0.000) 1.890 9.131 ( 0.000 1.890 0.000) 1.890 9.389 ( 0.000 -6.480 0.000) 6.480 9.389 ( 0.000 -6.480 0.000) 6.480 10.105 ( -0.000 1.684 0.000) 1.684 10.105 ( 0.000 1.684 0.000) 1.684 10.497 ( -0.000 -10.694 0.000) 10.694 10.497 ( 0.000 -10.694 0.000) 10.694 10.540 ( -0.000 10.254 -0.000) 10.254 10.540 ( 0.000 10.254 0.000) 10.254 11.041 ( 0.000 -3.943 0.000) 3.943 11.041 ( -0.000 -3.943 0.000) 3.943 12.742 ( -0.000 10.204 -0.000) 10.204 12.742 ( 0.000 10.204 -0.000) 10.204 12.775 ( -0.000 15.067 0.000) 15.067 12.775 ( 0.000 15.067 0.000) 15.067 14.412 ( -0.000 -6.610 0.000) 6.610 14.412 ( 0.000 -6.610 0.000) 6.610 14.610 ( -0.000 -8.406 0.000) 8.406 14.610 ( 0.000 -8.406 0.000) 8.406======================= Grid point 432 (136/140) =======================q-point: ( 0.00 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.506 ( 0.000 0.109 -0.378) 0.393 2.506 ( 0.000 0.109 0.378) 0.393 3.203 ( 0.000 -0.416 -3.519) 3.544 3.203 ( 0.000 -0.416 3.519) 3.544 3.678 ( 0.000 6.309 -8.264) 10.397 3.678 ( 0.000 6.309 8.264) 10.397 4.092 ( 0.000 -6.828 -4.478) 8.165 4.092 ( 0.000 -6.828 4.478) 8.165 4.219 ( 0.000 0.707 -3.686) 3.753 4.219 ( 0.000 0.707 3.686) 3.753 5.001 ( 0.000 7.941 -1.940) 8.175 5.001 ( 0.000 7.941 1.940) 8.175 5.258 ( 0.000 -4.718 -1.821) 5.057 5.258 ( 0.000 -4.718 1.821) 5.057 5.765 ( 0.000 -0.647 -1.724) 1.841 5.765 ( 0.000 -0.647 1.724) 1.841 5.998 ( 0.000 -2.216 -3.421) 4.076 5.998 ( 0.000 -2.216 3.421) 4.076 6.240 ( 0.000 -0.792 -1.191) 1.431 6.240 ( 0.000 -0.792 1.191) 1.431 7.270 ( 0.000 3.090 -2.152) 3.765 7.270 ( 0.000 3.090 2.152) 3.765 7.366 ( 0.000 -3.751 -1.034) 3.891 7.366 ( 0.000 -3.751 1.034) 3.891 8.170 ( 0.000 1.658 -3.153) 3.562 8.170 ( 0.000 1.658 3.153) 3.562 8.330 ( 0.000 -1.661 -1.397) 2.170 8.330 ( 0.000 -1.661 1.397) 2.170 8.887 ( 0.000 2.551 -2.670) 3.693 8.887 ( 0.000 2.551 2.670) 3.693 9.223 ( 0.000 -2.968 -3.957) 4.946 9.223 ( 0.000 -2.968 3.957) 4.946 10.025 ( 0.000 1.212 -1.920) 2.271 10.025 ( 0.000 1.212 1.920) 2.271 10.445 ( 0.000 -1.233 -2.762) 3.025 10.445 ( 0.000 -1.233 2.762) 3.025 10.899 ( 0.000 2.440 -1.410) 2.819 10.899 ( 0.000 2.440 1.410) 2.819 11.445 ( 0.000 -0.959 -0.649) 1.158 11.445 ( 0.000 -0.959 0.649) 1.158 12.410 ( 0.000 12.615 -8.630) 15.285 12.410 ( 0.000 12.615 8.630) 15.285 12.732 ( 0.000 -7.810 -4.743) 9.137 12.732 ( 0.000 -7.810 4.743) 9.137 14.207 ( 0.000 0.575 -2.528) 2.592 14.207 ( 0.000 0.575 2.528) 2.592 14.888 ( 0.000 -3.063 -1.188) 3.285 14.888 ( 0.000 -3.063 1.188) 3.285======================= Grid point 434 (137/140) =======================q-point: ( 0.12 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.473 ( -2.886 0.395 -1.479) 3.267 2.473 ( -2.886 0.395 1.479) 3.267 3.180 ( -2.458 0.027 -3.019) 3.893 3.180 ( -2.458 0.027 3.019) 3.893 3.646 ( -2.538 6.236 -7.173) 9.838 3.646 ( -2.538 6.236 7.173) 9.838 4.045 ( -4.208 -8.454 -3.515) 10.076 4.045 ( -4.208 -8.454 3.515) 10.076 4.329 ( 9.763 1.775 -3.679) 10.583 4.329 ( 9.763 1.775 3.679) 10.583 5.032 ( 3.139 7.925 -2.161) 8.794 5.032 ( 3.139 7.925 2.161) 8.794 5.288 ( 2.877 -4.384 -1.425) 5.434 5.288 ( 2.877 -4.384 1.425) 5.434 5.687 ( -6.760 -2.199 -1.752) 7.321 5.687 ( -6.760 -2.199 1.752) 7.321 6.019 ( 2.037 -1.508 -3.355) 4.205 6.019 ( 2.037 -1.508 3.355) 4.205 6.287 ( 3.367 -0.489 -2.657) 4.317 6.287 ( 3.367 -0.489 2.657) 4.317 7.171 ( -8.392 3.492 -2.883) 9.536 7.171 ( -8.392 3.492 2.883) 9.536 7.359 ( -1.009 -4.037 -1.224) 4.338 7.359 ( -1.009 -4.037 1.224) 4.338 8.129 ( -3.245 2.514 -2.856) 5.000 8.129 ( -3.245 2.514 2.856) 5.000 8.422 ( 7.538 -2.057 -1.232) 7.910 8.422 ( 7.538 -2.057 1.232) 7.910 8.937 ( 4.628 2.449 -2.819) 5.947 8.937 ( 4.628 2.449 2.819) 5.947 9.209 ( -1.214 -3.253 -3.884) 5.210 9.209 ( -1.214 -3.253 3.884) 5.210 10.038 ( 1.279 1.188 -1.796) 2.505 10.038 ( 1.279 1.188 1.796) 2.505 10.446 ( 0.130 -0.923 -2.580) 2.743 10.446 ( 0.130 -0.923 2.580) 2.743 10.835 ( -5.858 1.644 -1.579) 6.285 10.835 ( -5.858 1.644 1.579) 6.285 11.382 ( -5.932 -0.604 -0.364) 5.973 11.382 ( -5.932 -0.604 0.364) 5.973 12.485 ( 7.014 11.803 -7.934) 15.857 12.485 ( 7.014 11.803 7.934) 15.857 12.790 ( 5.323 -6.245 -4.006) 9.131 12.790 ( 5.323 -6.245 4.006) 9.131 14.204 ( -0.177 0.207 -2.575) 2.589 14.204 ( -0.177 0.207 2.575) 2.589 14.843 ( -4.433 -3.273 -1.378) 5.680 14.843 ( -4.433 -3.273 1.378) 5.680======================= Grid point 436 (138/140) =======================q-point: ( 0.25 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 197Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.423 ( -1.211 1.026 -2.364) 2.848 2.423 ( -1.211 1.026 2.364) 2.848 3.091 ( -7.035 -0.412 -1.993) 7.324 3.091 ( -7.035 -0.412 1.993) 7.324 3.593 ( -2.683 10.324 -4.904) 11.740 3.593 ( -2.683 10.324 4.904) 11.740 3.959 ( -3.531 -13.688 -1.792) 14.250 3.959 ( -3.531 -13.688 1.792) 14.250 4.551 ( 11.467 3.716 -3.118) 12.451 4.551 ( 11.467 3.716 3.118) 12.451 5.122 ( 5.689 8.198 -2.536) 10.296 5.122 ( 5.689 8.198 2.536) 10.296 5.351 ( 2.212 -6.029 -1.082) 6.512 5.351 ( 2.212 -6.029 1.082) 6.512 5.549 ( -5.533 -3.095 -2.320) 6.751 5.549 ( -5.533 -3.095 2.320) 6.751 6.071 ( 2.940 -0.632 -2.523) 3.925 6.071 ( 2.940 -0.632 2.523) 3.925 6.325 ( -0.331 -0.392 -2.632) 2.682 6.325 ( -0.331 -0.392 2.632) 2.682 7.007 ( -6.625 4.936 -3.436) 8.948 7.007 ( -6.625 4.936 3.436) 8.948 7.313 ( -3.863 -5.071 -3.431) 7.239 7.313 ( -3.863 -5.071 3.431) 7.239 8.087 ( 0.093 3.729 -1.464) 4.007 8.087 ( 0.093 3.729 1.464) 4.007 8.549 ( 3.501 -2.438 -1.340) 4.472 8.549 ( 3.501 -2.438 1.340) 4.472 9.047 ( 5.726 2.882 -2.616) 6.923 9.047 ( 5.726 2.882 2.616) 6.923 9.195 ( 0.563 -4.242 -3.744) 5.686 9.195 ( 0.563 -4.242 3.744) 5.686 10.073 ( 2.164 1.078 -1.525) 2.859 10.073 ( 2.164 1.078 1.525) 2.859 10.439 ( -1.463 -0.781 -2.085) 2.664 10.439 ( -1.463 -0.781 2.085) 2.664 10.713 ( -4.825 0.803 -1.490) 5.113 10.713 ( -4.825 0.803 1.490) 5.113 11.229 ( -8.954 -0.592 -0.181) 8.975 11.229 ( -8.954 -0.592 0.181) 8.975 12.657 ( 9.571 10.347 -6.555) 15.544 12.657 ( 9.571 10.347 6.555) 15.544 12.912 ( 6.050 -2.481 -2.081) 6.862 12.912 ( 6.050 -2.481 2.081) 6.862 14.208 ( 0.881 -0.833 -2.742) 2.999 14.208 ( 0.881 -0.833 2.742) 2.999 14.720 ( -7.668 -3.908 -1.856) 8.804 14.720 ( -7.668 -3.908 1.856) 8.804======================= Grid point 438 (139/140) =======================q-point: ( 0.38 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( 5.096 1.682 -2.548) 5.940 2.457 ( 5.096 1.682 2.548) 5.940 2.894 ( -12.236 -1.055 -1.726) 12.402 2.894 ( -12.236 -1.055 1.726) 12.402 3.552 ( -1.235 14.473 -2.891) 14.810 3.552 ( -1.235 14.473 2.891) 14.810 3.918 ( -0.836 -18.236 -0.801) 18.273 3.918 ( -0.836 -18.236 0.801) 18.273 4.754 ( 8.444 8.338 -1.898) 12.018 4.754 ( 8.444 8.338 1.898) 12.018 5.211 ( 0.227 -0.123 -2.088) 2.103 5.211 ( 0.227 -0.123 2.088) 2.103 5.352 ( 1.639 -4.900 -2.002) 5.541 5.352 ( 1.639 -4.900 2.002) 5.541 5.517 ( 0.736 -0.707 -1.505) 1.819 5.517 ( 0.736 -0.707 1.505) 1.819 6.127 ( 2.690 -0.060 -1.625) 3.144 6.127 ( 2.690 -0.060 1.625) 3.144 6.271 ( -4.371 -0.482 -1.714) 4.720 6.271 ( -4.371 -0.482 1.714) 4.720 6.935 ( -0.894 7.443 -3.178) 8.142 6.935 ( -0.893 7.443 3.178) 8.142 7.214 ( -5.281 -7.303 -3.686) 9.737 7.214 ( -5.281 -7.303 3.686) 9.737 8.147 ( 5.476 5.836 -0.358) 8.011 8.147 ( 5.476 5.836 0.358) 8.011 8.530 ( -4.793 -3.936 -1.183) 6.314 8.530 ( -4.793 -3.936 1.183) 6.314 9.145 ( 3.880 3.423 -1.349) 5.347 9.145 ( 3.880 3.423 1.349) 5.347 9.238 ( 2.881 -4.909 -2.473) 6.206 9.238 ( 2.881 -4.909 2.473) 6.206 10.123 ( 2.874 1.686 -1.330) 3.588 10.123 ( 2.874 1.686 1.330) 3.588 10.369 ( -5.049 -3.745 -1.641) 6.497 10.369 ( -5.049 -3.745 1.641) 6.497 10.692 ( 2.567 3.663 -0.544) 4.506 10.692 ( 2.567 3.663 0.544) 4.506 11.045 ( -9.052 -2.214 -0.290) 9.324 11.045 ( -9.052 -2.214 0.290) 9.324 12.839 ( 8.172 8.813 -4.878) 12.971 12.839 ( 8.172 8.813 4.878) 12.971 12.998 ( 2.022 1.885 -0.514) 2.811 12.998 ( 2.022 1.885 0.514) 2.811 14.252 ( 3.711 -1.856 -2.904) 5.064 14.252 ( 3.711 -1.856 2.904) 5.064 14.553 ( -8.609 -5.054 -2.381) 10.263 14.553 ( -8.609 -5.054 2.381) 10.263======================= Grid point 440 (140/140) =======================q-point: (-0.50 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 123Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.587 ( -0.000 4.966 0.000) 4.966 2.587 ( 0.000 4.966 0.000) 4.966 2.685 ( -0.000 -4.062 0.000) 4.062 2.685 ( 0.000 -4.062 0.000) 4.062 3.541 ( -0.000 15.348 0.000) 15.348 3.541 ( 0.000 15.348 0.000) 15.348 3.912 ( -0.000 -19.485 0.000) 19.485 3.912 ( 0.000 -19.485 0.000) 19.485 4.851 ( 0.000 14.666 0.000) 14.666 4.851 ( 0.000 14.666 0.000) 14.666 5.174 ( -0.000 -15.219 0.000) 15.219 5.174 ( 0.000 -15.219 0.000) 15.219 5.411 ( -0.000 6.590 -0.000) 6.590 5.411 ( 0.000 6.590 0.000) 6.590 5.518 ( 0.000 -3.447 0.000) 3.447 5.518 ( 0.000 -3.447 0.000) 3.447 6.177 ( -0.000 0.608 0.000) 0.608 6.177 ( 0.000 0.608 0.000) 0.608 6.196 ( -0.000 -0.909 -0.000) 0.909 6.196 ( 0.000 -0.909 -0.000) 0.909 6.937 ( -0.000 10.064 -0.000) 10.064 6.937 ( 0.000 10.064 0.000) 10.064 7.150 ( 0.000 -9.943 0.000) 9.943 7.150 ( 0.000 -9.943 0.000) 9.943 8.237 ( 0.000 10.626 0.000) 10.626 8.237 ( 0.000 10.626 0.000) 10.626 8.443 ( 0.000 -8.545 -0.000) 8.545 8.443 ( 0.000 -8.545 0.000) 8.545 9.187 ( 0.000 3.343 0.000) 3.343 9.187 ( 0.000 3.343 0.000) 3.343 9.272 ( 0.000 -4.738 0.000) 4.738 9.272 ( 0.000 -4.738 0.000) 4.738 10.166 ( -0.000 4.507 0.000) 4.507 10.166 ( 0.000 4.507 0.000) 4.507 10.299 ( -0.000 -7.988 0.000) 7.988 10.299 ( 0.000 -7.988 0.000) 7.988 10.750 ( -0.000 9.325 0.000) 9.325 10.750 ( 0.000 9.325 0.000) 9.325 10.924 ( -0.000 -7.008 0.000) 7.008 10.924 ( 0.000 -7.008 0.000) 7.008 12.946 ( -0.000 7.713 -0.000) 7.713 12.946 ( 0.000 7.713 0.000) 7.713 12.996 ( -0.000 4.304 0.000) 4.304 12.996 ( 0.000 4.304 0.000) 4.304 14.328 ( -0.000 0.080 -0.000) 0.080 14.328 ( 0.000 0.080 0.000) 0.080 14.425 ( -0.000 -8.046 0.000) 8.046 14.425 ( 0.000 -8.046 0.000) 8.046=================== 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 3/32256 10.0 5435.140 7541.124 7547.892 0.000 0.000 -0.000 3/32256 20.0 753.416 826.720 580.914 0.000 0.000 -0.000 3/32256 30.0 249.201 257.192 162.724 0.000 0.000 -0.000 3/32256 40.0 118.013 120.800 74.890 0.000 0.000 -0.000 3/32256 50.0 68.625 70.767 43.907 0.000 0.000 -0.000 3/32256 60.0 45.427 47.252 29.543 0.000 0.000 -0.000 3/32256 70.0 32.793 34.322 21.672 0.000 0.000 -0.000 3/32256 80.0 25.157 26.426 16.856 0.000 0.000 -0.000 3/32256 90.0 20.177 21.233 13.672 0.000 0.000 -0.000 3/32256 100.0 16.735 17.623 11.444 0.000 0.000 -0.000 3/32256 110.0 14.245 15.003 9.816 0.000 0.000 -0.000 3/32256 120.0 12.376 13.033 8.582 0.000 0.000 -0.000 3/32256 130.0 10.931 11.508 7.621 0.000 0.000 -0.000 3/32256 140.0 9.785 10.299 6.853 0.000 0.000 -0.000 3/32256 150.0 8.857 9.321 6.227 0.000 0.000 -0.000 3/32256 160.0 8.091 8.514 5.708 0.000 0.000 -0.000 3/32256 170.0 7.449 7.838 5.271 0.000 0.000 -0.000 3/32256 180.0 6.903 7.265 4.898 0.000 0.000 -0.000 3/32256 190.0 6.434 6.772 4.576 0.000 0.000 -0.000 3/32256 200.0 6.027 6.345 4.295 0.000 0.000 -0.000 3/32256 210.0 5.670 5.970 4.048 0.000 0.000 -0.000 3/32256 220.0 5.354 5.639 3.829 0.000 0.000 -0.000 3/32256 230.0 5.072 5.344 3.633 0.000 0.000 -0.000 3/32256 240.0 4.820 5.080 3.458 0.000 0.000 -0.000 3/32256 250.0 4.593 4.842 3.299 0.000 0.000 -0.000 3/32256 260.0 4.387 4.626 3.154 0.000 0.000 -0.000 3/32256 270.0 4.199 4.429 3.022 0.000 0.000 -0.000 3/32256 280.0 4.027 4.249 2.902 0.000 0.000 -0.000 3/32256 290.0 3.869 4.084 2.790 0.000 0.000 -0.000 3/32256 300.0 3.724 3.932 2.688 0.000 0.000 -0.000 3/32256 310.0 3.589 3.791 2.593 0.000 0.000 -0.000 3/32256 320.0 3.465 3.660 2.504 0.000 0.000 -0.000 3/32256 330.0 3.348 3.538 2.422 0.000 0.000 -0.000 3/32256 340.0 3.240 3.424 2.345 0.000 0.000 -0.000 3/32256 350.0 3.139 3.318 2.273 0.000 0.000 -0.000 3/32256 360.0 3.044 3.218 2.205 0.000 0.000 -0.000 3/32256 370.0 2.954 3.124 2.141 0.000 0.000 -0.000 3/32256 380.0 2.870 3.036 2.081 0.000 0.000 -0.000 3/32256 390.0 2.791 2.953 2.025 0.000 0.000 -0.000 3/32256 400.0 2.716 2.874 1.971 0.000 0.000 -0.000 3/32256 410.0 2.645 2.799 1.920 0.000 0.000 -0.000 3/32256 420.0 2.578 2.729 1.872 0.000 0.000 -0.000 3/32256 430.0 2.514 2.662 1.826 0.000 0.000 -0.000 3/32256 440.0 2.454 2.598 1.783 0.000 0.000 -0.000 3/32256 450.0 2.396 2.537 1.741 0.000 0.000 -0.000 3/32256 460.0 2.341 2.479 1.702 0.000 0.000 -0.000 3/32256 470.0 2.289 2.424 1.664 0.000 0.000 -0.000 3/32256 480.0 2.238 2.371 1.628 0.000 0.000 -0.000 3/32256 490.0 2.191 2.321 1.594 0.000 0.000 -0.000 3/32256 500.0 2.145 2.272 1.561 0.000 0.000 -0.000 3/32256 510.0 2.101 2.226 1.529 0.000 0.000 -0.000 3/32256 520.0 2.059 2.181 1.498 0.000 0.000 -0.000 3/32256 530.0 2.018 2.139 1.469 0.000 0.000 -0.000 3/32256 540.0 1.979 2.098 1.441 0.000 0.000 -0.000 3/32256 550.0 1.942 2.058 1.414 0.000 0.000 -0.000 3/32256 560.0 1.906 2.020 1.388 0.000 0.000 -0.000 3/32256 570.0 1.871 1.984 1.363 0.000 0.000 -0.000 3/32256 580.0 1.838 1.948 1.339 0.000 0.000 -0.000 3/32256 590.0 1.806 1.914 1.316 0.000 0.000 -0.000 3/32256 600.0 1.774 1.882 1.293 0.000 0.000 -0.000 3/32256 610.0 1.744 1.850 1.271 0.000 0.000 -0.000 3/32256 620.0 1.715 1.819 1.250 0.000 0.000 -0.000 3/32256 630.0 1.687 1.790 1.230 0.000 0.000 -0.000 3/32256 640.0 1.660 1.761 1.210 0.000 0.000 -0.000 3/32256 650.0 1.634 1.733 1.191 0.000 0.000 -0.000 3/32256 660.0 1.609 1.706 1.173 0.000 0.000 -0.000 3/32256 670.0 1.584 1.680 1.155 0.000 0.000 -0.000 3/32256 680.0 1.560 1.655 1.138 0.000 0.000 -0.000 3/32256 690.0 1.537 1.630 1.121 0.000 0.000 -0.000 3/32256 700.0 1.514 1.607 1.105 0.000 0.000 -0.000 3/32256 710.0 1.493 1.584 1.089 0.000 0.000 -0.000 3/32256 720.0 1.471 1.561 1.073 0.000 0.000 -0.000 3/32256 730.0 1.451 1.539 1.058 0.000 0.000 -0.000 3/32256 740.0 1.431 1.518 1.044 0.000 0.000 -0.000 3/32256 750.0 1.411 1.498 1.030 0.000 0.000 -0.000 3/32256 760.0 1.392 1.477 1.016 0.000 0.000 -0.000 3/32256 770.0 1.374 1.458 1.003 0.000 0.000 -0.000 3/32256 780.0 1.356 1.439 0.990 0.000 0.000 -0.000 3/32256 790.0 1.338 1.420 0.977 0.000 0.000 -0.000 3/32256 800.0 1.321 1.402 0.964 0.000 0.000 -0.000 3/32256 810.0 1.305 1.385 0.952 0.000 0.000 -0.000 3/32256 820.0 1.289 1.368 0.941 0.000 0.000 -0.000 3/32256 830.0 1.273 1.351 0.929 0.000 0.000 -0.000 3/32256 840.0 1.257 1.335 0.918 0.000 0.000 -0.000 3/32256 850.0 1.242 1.319 0.907 0.000 0.000 -0.000 3/32256 860.0 1.228 1.303 0.896 0.000 0.000 -0.000 3/32256 870.0 1.213 1.288 0.886 0.000 0.000 -0.000 3/32256 880.0 1.199 1.273 0.876 0.000 0.000 -0.000 3/32256 890.0 1.186 1.259 0.866 0.000 0.000 -0.000 3/32256 900.0 1.172 1.244 0.856 0.000 0.000 -0.000 3/32256 910.0 1.159 1.231 0.846 0.000 0.000 -0.000 3/32256 920.0 1.146 1.217 0.837 0.000 0.000 -0.000 3/32256 930.0 1.134 1.204 0.828 0.000 0.000 -0.000 3/32256 940.0 1.122 1.191 0.819 0.000 0.000 -0.000 3/32256 950.0 1.110 1.178 0.810 0.000 0.000 -0.000 3/32256 960.0 1.098 1.166 0.802 0.000 0.000 -0.000 3/32256 970.0 1.087 1.154 0.794 0.000 0.000 -0.000 3/32256 980.0 1.075 1.142 0.785 0.000 0.000 -0.000 3/32256 990.0 1.064 1.130 0.777 0.000 0.000 -0.000 3/32256 1000.0 1.054 1.119 0.770 0.000 0.000 -0.000 3/32256Thermal conductivity related properties were written into "kappa-m8712.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 17:30:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|